Long-range electrostatic screening in ionic liquids

PubMed Central

Gebbie, Matthew A.; Dobbs, Howard A.; Valtiner, Markus; Israelachvili, Jacob N.

2015-01-01

Electrolyte solutions with high concentrations of ions are prevalent in biological systems and energy storage technologies. Nevertheless, the high interaction free energy and long-range nature of electrostatic interactions makes the development of a general conceptual picture of concentrated electrolytes a significant challenge. In this work, we study ionic liquids, single-component liquids composed solely of ions, in an attempt to provide a novel perspective on electrostatic screening in very high concentration (nonideal) electrolytes. We use temperature-dependent surface force measurements to demonstrate that the long-range, exponentially decaying diffuse double-layer forces observed across ionic liquids exhibit a pronounced temperature dependence: Increasing the temperature decreases the measured exponential (Debye) decay length, implying an increase in the thermally driven effective free-ion concentration in the bulk ionic liquids. We use our quantitative results to propose a general model of long-range electrostatic screening in ionic liquids, where thermally activated charge fluctuations, either free ions or correlated domains (quasiparticles), take on the role of ions in traditional dilute electrolyte solutions. This picture represents a crucial step toward resolving several inconsistencies surrounding electrostatic screening and charge transport in ionic liquids that have impeded progress within the interdisciplinary ionic liquids community. More broadly, our work provides a previously unidentified way of envisioning highly concentrated electrolytes, with implications for diverse areas of inquiry, ranging from designing electrochemical devices to rationalizing electrostatic interactions in biological systems. PMID:26040001

Electromagnetic radiation by parametric decay of upper hybrid waves in ionospheric modification experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leyser, T.B.

1994-06-01

A nonlinear dispersion relation for the parametric decay of an electrostatic upper hybrid wave into an ordinary mode electromagnetic wave, propagating parallel to the ambient magnetic field, and an electrostatic low frequency wave, being either a lower hybrid wave or a high harmonic ion Bernstein wave, is derived. The coherent and resonant wave interaction is considered to take place in a weakly magnetized and collisionless Vlasov plasma. The instability growth rate is computed for parameter values typical of ionospheric modification experiments, in which a powerful high frequency electromagnetic pump wave is injected into the ionospheric F-region from ground-based transmitters. Themore » electromagnetic radiation which is excited by the decaying upper hybrid wave is found to be consistent with the prominent and commonly observed downshifted maximum (DM) emission in the spectrum of stimulated electromagnetic emission.« less

Apparatus for detecting alpha radiation in difficult access areas

DOEpatents

Steadman, Peter; MacArthur, Duncan W.

1997-09-02

An electrostatic alpha radiation detector for measuring alpha radiation emitted from inside an enclosure comprising an electrically conductive expandable electrode for insertion into the enclosure. After insertion, the electrically conductive expandable electrode is insulated from the enclosure and defines a decay cavity between the electrically conductive expandable electrode and the enclosure so that air ions generated in the decay cavity are electrostatically captured by the electrically conductive expandable electrode and the enclosure when an electric potential is applied between the electrically conductive expandable electrode and the enclosure. Indicator means are attached to the electrically conductive expandable electrode for indicating an electrical current produced by generation of the air ions generated in the decay cavity by collisions between air molecules and the alpha particles emitted from the enclosure. A voltage source is connected between the indicator means and the electrically conductive enclosure for creating an electric field between the electrically conductive expandable electrode and the enclosure.

Spatial, spectral and statistical properties of the electrostatic fluctuations and measurements of the scattering of the beam in a strongly turbulent plasma

NASA Astrophysics Data System (ADS)

McFarland, Michael Duane

The purpose of this investigation is to measure the spatial, spectral and statistical properties of the high (/omega/ ~/ ω pe) and low (/omega/ ~/ ωpi) frequency electrostatic fluctuations in an unmagnetized, statistically stable, beam-driven, strongly turbulent plasma and compare the results to theoretical predictions. In addition the scattering of the electron beam in both angle and energy is measured and compared to theory. This study is motivated by the recent advances in statistical theories of strong Langmuir turbulence and the glaring lack of confirmatory experimental data. With the advent of modern computers and electronics, enormous data sets are now routinely digitize and subjected to sophisticated statistical and spectral analysis. These methods, along with traditional procedures and an innovative technique known as a 'conditional trigger', are used to extract ensemble averages from the turbulent system for comparison with the theoretical models. It is found that the high-frequency fluctuations consist of low-level wave activity /langle W/rangle/ ~/ 10-2 - 103 punctuated by semi-periodic, intense, spiky field events /langle W/rangle/ ~/ 1, where /langle W/rangle is the normalized intensity. The low- level wave activity has a spectral spread Δ k/k/ ~/ /Delta/omega//omega/ ~ 30%, dispersion relation v beam/ ~/ /omega/k, and correlation length lc/ /approx/ 3λES, where λES is the electrostatic wavelength, and shows evidence of low-intensity parametric decay products. The intense field events, on the other hand, show little correlation for l/ >/ λES, have a full-width-at-half-maximum of 1 f/ < 40/ λ D, where λ D is the Debye length, and are non-propagating. The statistical properties of the fluctuations compares well with the predictions of the two-component model of strong Langmuir turbulence. In addition, freely traveling waves, 'free modes', are observed to be produced by the localized wave structures for the first time. The peak of the low frequency fluctuations is found to scale inversely with the average time between collapse events. The magnitude of the low-frequency fluctuations Δ n/n is compared to the two-component model of strong Langmuir turbulence. It is found that /n2/ /propto/ < W>β where β ~/ 1.3 for the experiment and is predicted to be β ~/ 1.98 by the model. The scattering of the electron beam in angle for a typical wave intensity level /langle W/rangle/ ~/ 0.04 is Θ ~/ 3o, and in energy is Δ U/ ~/ 25 eV for a 400 eV beam. The scattering of the beam in both angle and energy is found to agree well with theory.

Methodology and application of high performance electrostatic field simulation in the KATRIN experiment

NASA Astrophysics Data System (ADS)

Corona, Thomas

The Karlsruhe Tritium Neutrino (KATRIN) experiment is a tritium beta decay experiment designed to make a direct, model independent measurement of the electron neutrino mass. The experimental apparatus employs strong ( O[T]) magnetostatic and (O[10 5 V/m]) electrostatic fields in regions of ultra high (O[10-11 mbar]) vacuum in order to obtain precise measurements of the electron energy spectrum near the endpoint of tritium beta-decay. The electrostatic fields in KATRIN are formed by multiscale electrode geometries, necessitating the development of high performance field simulation software. To this end, we present a Boundary Element Method (BEM) with analytic boundary integral terms in conjunction with the Robin Hood linear algebraic solver, a nonstationary successive subspace correction (SSC) method. We describe an implementation of these techniques for high performance computing environments in the software KEMField, along with the geometry modeling and discretization software KGeoBag. We detail the application of KEMField and KGeoBag to KATRIN's spectrometer and detector sections, and demonstrate its use in furthering several of KATRIN's scientific goals. Finally, we present the results of a measurement designed to probe the electrostatic profile of KATRIN's main spectrometer in comparison to simulated results.

Ionic fluids with r-6 pair interactions have power-law electrostatic screening

NASA Astrophysics Data System (ADS)

Kjellander, Roland; Forsberg, Björn

2005-06-01

The decay behaviour of radial distribution functions for large distances r is investigated for classical Coulomb fluids where the ions interact with an r-6 potential (e.g. a dispersion interaction) in addition to the Coulombic and the short-range repulsive potentials (e.g. a hard core). The pair distributions and the density-density (NN), charge-density (QN) and charge-charge (QQ) correlation functions are investigated analytically and by Monte Carlo simulations. It is found that the NN correlation function ultimately decays like r-6 for large r, just as it does for fluids of electroneutral particles interacting with an r-6 potential. The prefactor is proportional to the squared compressibility in both cases. The QN correlations decay in general like r-8 and the QQ correlations like r-10 in the ionic fluid. The average charge density around an ion decays generally like r-8 and the average electrostatic potential like r-6. This behaviour is in stark contrast to the decay behaviour for classical Coulomb fluids in the absence of the r-6 potential, where all these functions decay exponentially for large r. The power-law decays are, however, the same as for quantum Coulomb fluids. This indicates that the inclusion of the dispersion interaction as an effective r-6 interaction potential in classical systems yields the same decay behaviour for the pair correlations as in quantum ionic systems. An exceptional case is the completely symmetric binary electrolyte for which only the NN correlation has a power-law decay but not the QQ correlations. These features are shown by an analysis of the bridge function.

Apparatus for detecting alpha radiation in difficult access areas

DOEpatents

Steadman, P.; MacArthur, D.W.

1997-09-02

An electrostatic alpha radiation detector for measuring alpha radiation emitted from inside an enclosure comprising an electrically conductive expandable electrode for insertion into the enclosure is disclosed. After insertion, the electrically conductive expandable electrode is insulated from the enclosure and defines a decay cavity between the electrically conductive expandable electrode and the enclosure so that air ions generated in the decay cavity are electrostatically captured by the electrically conductive expandable electrode and the enclosure when an electric potential is applied between the electrically conductive expandable electrode and the enclosure. Indicator means are attached to the electrically conductive expandable electrode for indicating an electrical current produced by generation of the air ions generated in the decay cavity by collisions between air molecules and the alpha particles emitted from the enclosure. A voltage source is connected between the indicator means and the electrically conductive enclosure for creating an electric field between the electrically conductive expandable electrode and the enclosure. 4 figs.

Electrostatic Characterization of Lunar Dust

NASA Technical Reports Server (NTRS)

2008-01-01

To ensure the safety and success of future lunar exploration missions, it is important to measure the toxicity of the lunar dust and its electrostatic properties. The electrostatic properties of lunar dust govern its behavior, from how the dust is deposited in an astronaut s lungs to how it contaminates equipment surfaces. NASA has identified the threat caused by lunar dust as one of the top two problems that need to be solved before returning to the Moon. To understand the electrostatic nature of lunar dust, NASA must answer the following questions: (1) how much charge can accumulate on the dust? (2) how long will the charge remain? and (3) can the dust be removed? These questions can be answered by measuring the electrostatic properties of the dust: its volume resistivity, charge decay, charge-to-mass ratio or chargeability, and dielectric properties.

Radiation from an electron beam in magnetized plasma: excitation of a whistler mode wave packet by interacting, higher-frequency, electrostatic-wave eigenmodes

NASA Astrophysics Data System (ADS)

Brenning, N.; Axnäs, I.; Koepke, M.; Raadu, M. A.; Tennfors, E.

2017-12-01

Infrequent, bursty, electromagnetic, whistler-mode wave packets, excited spontaneously in the laboratory by an electron beam from a hot cathode, appear transiently, each with a time duration τ around ∼1 μs. The wave packets have a center frequency f W that is broadly distributed in the range 7 MHz < f W < 40 MHz. They are excited in a region with separate electrostatic (es) plasma oscillations at values of f hf, 200 MHz < f hf < 500 MHz, that are hypothesized to match eigenmode frequencies of an axially localized hf es field in a well-defined region attached to the cathode. Features of these es-eigenmodes that are studied include: the mode competition at times of transitions from one dominating es-eigenmode to another, the amplitude and spectral distribution of simultaneously occurring es-eigenmodes that do not lead to a transition, and the correlation of these features with the excitation of whistler mode waves. It is concluded that transient coupling of es-eigenmode pairs at f hf such that | {{{f}}}1,{{h}{{f}}}-{{{f}}}2,{{h}{{f}}}| = {f}{{W}}< {f}{{g}{{e}}} can explain both the transient lifetime and the frequency spectra of the whistler-mode wave packets (f W) as observed in lab. The generalization of the results to bursty whistler-mode excitation in space from electron beams, created on the high potential side of double layers, is discussed.

High Power HF Excitation of Low Frequency Stimulated Electrostatic Waves in the Ionospheric Plasma over HAARP

NASA Astrophysics Data System (ADS)

Bernhardt, Paul; Selcher, Craig A.

High Power electromagnetic (EM) waves transmitted from the HAARP facility in Alaska can excite low frequency electrostatic waves by several processes including (1) direct magnetized stimulated Brillouin scatter (MSBS) and (2) parametric decay of high frequency electrostatic waves into electron and ion Bernstein waves. Either an ion acoustic (IA) wave with a frequency less than the ion cyclotron frequency (fCI) or an electrostatic ion cyclotron (EIC) wave just above fCI can be produced by MSBS. The coupled equations describing the MSBS instabil-ity show that the production of both IA and EIC waves is strongly influenced by the wave propagation direction relative to the background magnetic field. Experimental observations of stimulated electromagnetic emissions (SEE) using the HAARP transmitter in Alaska have confirmed the theoretical predictions that only IA waves are excited for propagation along the magnetic zenith and that EIC waves can only be detected with oblique propagation angles. The electron temperature in the heated plasma is obtained from the IA spectrum offsets from the pump frequency. The ion composition can be determined from the measured EIC frequency. Near the second harmonic of the electron cyclotron frequency, the EM pump wave is converted into an electron Bernstein (EB) wave that decays into another EB wave and an ion Bernstein (IB) wave. Strong cyclotron resonance with the EB wave leads to acceleration of the electrons. Ground based SEE observations are related to the theory of low-frequency electrostatic wave generation.

Chaotic neoclassical separatrix dissipation in parametric drift-wave decay.

PubMed

Kabantsev, A A; Tsidulko, Yu A; Driscoll, C F

2014-02-07

Experiments and theory characterize a parametric decay instability between plasma drift waves when the nonlinear coupling is modified by an electrostatic barrier. Novel mode coupling terms representing enhanced dissipation and mode phase shifts are caused by chaotic separatrix crossings on the wave-ruffled separatrix. Experimental determination of these coupling terms is in broad agreement with new chaotic neoclassical transport analyses.

Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study.

PubMed

Altun, Ahmet; Neese, Frank; Bistoni, Giovanni

2018-01-01

The local energy decomposition (LED) analysis allows for a decomposition of the accurate domain-based local pair natural orbital CCSD(T) [DLPNO-CCSD(T)] energy into physically meaningful contributions including geometric and electronic preparation, electrostatic interaction, interfragment exchange, dynamic charge polarization, and London dispersion terms. Herein, this technique is employed in the study of hydrogen-bonding interactions in a series of conformers of water and hydrogen fluoride dimers. Initially, DLPNO-CCSD(T) dissociation energies for the most stable conformers are computed and compared with available experimental data. Afterwards, the decay of the LED terms with the intermolecular distance ( r ) is discussed and results are compared with the ones obtained from the popular symmetry adapted perturbation theory (SAPT). It is found that, as expected, electrostatic contributions slowly decay for increasing r and dominate the interaction energies in the long range. London dispersion contributions decay as expected, as r -6 . They significantly affect the depths of the potential wells. The interfragment exchange provides a further stabilizing contribution that decays exponentially with the intermolecular distance. This information is used to rationalize the trend of stability of various conformers of the water and hydrogen fluoride dimers.

Charge retention behavior of preferentially oriented and textured Bi3.25La0.75Ti3O12 thin films by electrostatic force microscopy

NASA Astrophysics Data System (ADS)

Kim, T. Y.; Lee, J. H.; Oh, Y. J.; Choi, M. R.; Jo, W.

2007-02-01

The authors report charge retention in preferentially (117) oriented and textured c-axis oriented ferroelectric Bi3.25La0.75Ti3O12 thin films by electrostatic force microscopy. Surface charges of the films were observed as a function of time in a selected area which consists of a single-poled region and a reverse-poled region. The highly (117) oriented film shows the extended exponential decay with characteristic scaling exponents, n =1.5-1.6. The preferentially c-axis oriented film shows a remarkable retained behavior regardless of the poling. Decay and retention mechanisms of the regions are explained by space-charge redistribution and trapping of defects in the films.

Electrostatic Evaluation of the Propellant Handlers Ensemble

NASA Technical Reports Server (NTRS)

Hogue, Michael D.; Calle, Carlos I.; Buhler, Charles

2006-01-01

The Self-Contained Atmospheric Protective Ensemble (SCAPE) used in propellant handling at NASA's Kennedy Space Center (KSC) has recently completed a series of tests to determine its electrostatic properties of the coverall fabric used in the Propellant Handlers Ensemble (PHE). Understanding these electrostatic properties are fundamental to ensuring safe operations when working with flammable rocket propellants such as hydrazine, methyl hydrazine, and unsymmetrical dimethyl hydrazine. These tests include surface resistivity, charge decay, triboelectric charging, and flame incendivity. In this presentation, we will discuss the results of these tests on the current PHE as well as new fabrics and materials being evaluated for the next generation of PHE.

Focus Article: Oscillatory and long-range monotonic exponential decays of electrostatic interactions in ionic liquids and other electrolytes: The significance of dielectric permittivity and renormalized charges

NASA Astrophysics Data System (ADS)

Kjellander, Roland

2018-05-01

A unified treatment of oscillatory and monotonic exponential decays of interactions in electrolytes is displayed, which highlights the role of dielectric response of the fluid in terms of renormalized (effective) dielectric permittivity and charges. An exact, but physically transparent statistical mechanical formalism is thereby used, which is presented in a systematic, pedagogical manner. Both the oscillatory and monotonic behaviors are given by an equation for the decay length of screened electrostatic interactions that is very similar to the classical expression for the Debye length. The renormalized dielectric permittivities, which have similar roles for electrolytes as the dielectric constant has for pure polar fluids, consist in general of several entities with different physical meanings. They are connected to dielectric response of the fluid on the same length scale as the decay length of the screened interactions. Only in cases where the decay length is very long, these permittivities correspond approximately to a dielectric response in the long-wavelength limit, like the dielectric constant for polar fluids. Experimentally observed long-range exponentially decaying surface forces are analyzed as well as the oscillatory forces observed for short to intermediate surface separations. Both occur in some ionic liquids and in concentrated as well as very dilute electrolyte solutions. The coexisting modes of decay are in general determined by the bulk properties of the fluid and not by the solvation of the surfaces; in the present cases, they are given by the behavior of the screened Coulomb interaction of the bulk fluid. The surface-fluid interactions influence the amplitudes and signs or phases of the different modes of the decay, but not their decay lengths and wavelengths. The similarities between some ionic liquids and very dilute electrolyte solutions as regards both the long-range monotonic and the oscillatory decays are analyzed.

Nonlocal electrostatics in ionic liquids: The key to an understanding of the screening decay length and screened interactions.

PubMed

Kjellander, Roland

2016-09-28

Screened electrostatic interactions in ionic liquids are investigated by means of exact statistical mechanical analysis combined with physical arguments that enhance the transparency and conceptual accessibility of the analysis and results. The constituent ions and immersed particles in the liquid can have arbitrary shapes and any internal charge distributions. The decay of the screened electrostatic potential and the free energy of interaction in ionic liquids can be exponentially damped oscillatory (like in molten simple salts) as well as plain exponential and long-ranged (like in dilute electrolyte solutions). Both behaviors are in agreement with the exact statistical mechanical analysis and reasons for their appearances are investigated. Exact but surprisingly simple expressions for the decay parameter κ of the screened electrostatics are obtained, which replace the classical expression for the Debye-Hückel parameter κ DH (the reciprocal Debye length). The expressions are applicable both for cases with plain exponential and oscillatory behaviors. The key importance of nonlocal electrostatics is thereby demonstrated explicitly. Dielectric properties of ionic liquids and other electrolytes are investigated, in particular the static dielectric function ϵ̃(k) and some effective relative permittivities (E r eff and E r ∗ ), which take roles that the dielectric constant ε r has for polar liquids consisting of electroneutral molecules. The dielectric constant in the latter case, which is the limit of ϵ̃(k) when the wave number k → 0, can be expressed solely in terms of dipolar features of the molecules. In contrast to this, the effective dielectric permittivities of ionic liquids have contributions also from quadrupolar, octupolar, and higher multipolar features of the constituent ions. The "dielectric constant" of electrolytes does not exist since ϵ̃(k)→∞ when k → 0, a well-known effect of perfect screening. The effective relative permittivities, E r eff , and E r ∗ of ionic liquids are obtained from the non-diverging part of ϵ̃(k), but not as a k → 0 limit. Influences of ion associations, especially pairing, are investigated for screened electrostatics and these permittivities. A general, multipolar expansion of ϵ̃(k) is derived and used to analyze dielectric properties of ionic liquids and other electrolytes.

Nonlocal electrostatics in ionic liquids: The key to an understanding of the screening decay length and screened interactions

NASA Astrophysics Data System (ADS)

Kjellander, Roland

2016-09-01

Screened electrostatic interactions in ionic liquids are investigated by means of exact statistical mechanical analysis combined with physical arguments that enhance the transparency and conceptual accessibility of the analysis and results. The constituent ions and immersed particles in the liquid can have arbitrary shapes and any internal charge distributions. The decay of the screened electrostatic potential and the free energy of interaction in ionic liquids can be exponentially damped oscillatory (like in molten simple salts) as well as plain exponential and long-ranged (like in dilute electrolyte solutions). Both behaviors are in agreement with the exact statistical mechanical analysis and reasons for their appearances are investigated. Exact but surprisingly simple expressions for the decay parameter κ of the screened electrostatics are obtained, which replace the classical expression for the Debye-Hückel parameter κDH (the reciprocal Debye length). The expressions are applicable both for cases with plain exponential and oscillatory behaviors. The key importance of nonlocal electrostatics is thereby demonstrated explicitly. Dielectric properties of ionic liquids and other electrolytes are investigated, in particular the static dielectric function ɛ ˜ ( k ) and some effective relative permittivities ( Er eff and Er ∗ ), which take roles that the dielectric constant ɛr has for polar liquids consisting of electroneutral molecules. The dielectric constant in the latter case, which is the limit of ɛ ˜ ( k ) when the wave number k → 0, can be expressed solely in terms of dipolar features of the molecules. In contrast to this, the effective dielectric permittivities of ionic liquids have contributions also from quadrupolar, octupolar, and higher multipolar features of the constituent ions. The "dielectric constant" of electrolytes does not exist since ɛ ˜ ( k ) → ∞ when k → 0, a well-known effect of perfect screening. The effective relative permittivities, Er eff , and Er ∗ of ionic liquids are obtained from the non-diverging part of ɛ ˜ ( k ) , but not as a k → 0 limit. Influences of ion associations, especially pairing, are investigated for screened electrostatics and these permittivities. A general, multipolar expansion of ɛ ˜ ( k ) is derived and used to analyze dielectric properties of ionic liquids and other electrolytes.

Ferrocene Containing Copolymers with Improved Electrostatic Dissipation Properties for Advanced Applications

NASA Technical Reports Server (NTRS)

Smith, T. M.; Nelson, G. L.

2005-01-01

Electrostatic dissipative polymers are used for a variety of functions. Typical methods utilized to transform electrically insulating polymers into either charge dissipative or conductive materials involve incorporating a conductive filler, conductive polymer, oxidizing the surface using plasma, or incorporating surfactants that act as surface wetting agents. Another approach is to synthesize a block copolymer that is expected to result in better electrical properties with minimal impacts to physical, fire, and thermal properties. One such block that can be added into the main chain of polymers is a diol terminated ferrocene oligomer, which is expected to impart electrostatic dissipative properties into the host polymer while concurrently improving the overall fire properties. Previous work with polyurethanes incorporating a ferrocene oligomer into the main chain resulted in much improved fire retardancy. In dealing with electrostatic dissipative materials the important questions are: how easily does the material charge and how quickly can the charge move to ground. One normally describes the materials conductivity, but conductivity only measures the fastest path for an electron not the slowest path. The slowest path is the one of interest, since it is left on the surface and thus can cause discharges. In order to assess ease of charging and decay times corona charge dissipation measurements can accurately assess these properties by introducing a charge on the surface of the material then measuring the surface voltage and the amount of charge deposited. The charge decay curve then will give an indication of a materials electrostatic dissipation properties. Normally, triboelectric testing can be performed, but results vary. Corona charge dissipation results are more repeatable.

Synthesizing Aluminum Particles Towards Controlling Electrostatic Discharge Ignition Sensitivity

DTIC Science & Technology

2014-01-01

composite energetic materials, Combust. Flame 160 (May 2013) 2279 2281. [10] J. Granier, M. Pantoya, Laser ignition of nanocomposite thermites , Combust...Reactive sintering: an important component in the combustion of nanocomposite thermites , Combust. Flame 159 (1) (Jan. 2012) 2 15. [12] B. Dikici, M.L...Pantoya, V. Levitas, The effect of pre-heating on flame propa- gation behavior in nanocomposite thermites , Combust. Flame 157 (8) (2010) 1581 1585. E.S. Collins et al. / Journal of Electrostatics 72 (2014) 28 3232

Hybrid Atom Electrostatic System for Satellite Geodesy

NASA Astrophysics Data System (ADS)

Zahzam, Nassim; Bidel, Yannick; Bresson, Alexandre; Huynh, Phuong-Anh; Liorzou, Françoise; Lebat, Vincent; Foulon, Bernard; Christophe, Bruno

2017-04-01

The subject of this poster comes within the framework of new concepts identification and development for future satellite gravity missions, in continuation of previously launched space missions CHAMP, GRACE, GOCE and ongoing and prospective studies like NGGM, GRACE 2 or E-GRASP. We were here more focused on the inertial sensors that complete the payload of such satellites. The clearly identified instruments for space accelerometry are based on the electrostatic technology developed for many years by ONERA and that offer a high level of performance and a high degree of maturity for space applications. On the other hand, a new generation of sensors based on cold atom interferometry (AI) is emerging and seems very promising in this context. These atomic instruments have already demonstrated on ground impressive results, especially with the development of state-of-the-art gravimeters, and should reach their full potential only in space, where the microgravity environment allows long interaction times. Each of these two types of instruments presents their own advantages which are, for the electrostatic sensors (ES), their demonstrated short term sensitivity and their high TRL, and for AI, amongst others, the absolute nature of the measurement and therefore no need for calibration processes. These two technologies seem in some aspects very complementary and a hybrid sensor bringing together all their assets could be the opportunity to take a big step in this context of gravity space missions. We present here the first experimental association on ground of an electrostatic accelerometer and an atomic accelerometer and underline the interest of calibrating the ES instrument with the AI. Some technical methods using the ES proof-mass as the Raman Mirror seem very promising to remove rotation effects of the satellite on the AI signal. We propose a roadmap to explore further in details and more rigorously this attractive hybridization scheme in order to assess its potential for a future geodesy space mission with theoretical and experimental work.

Electrostatic wave heating and possible formation of self-generated high electric fields in a magnetized plasma

NASA Astrophysics Data System (ADS)

Mascali, D.; Celona, L.; Gammino, S.; Miracoli, R.; Castro, G.; Gambino, N.; Ciavola, G.

2011-10-01

A plasma reactor operates at the Laboratori Nazionali del Sud of INFN, Catania, and it has been used as a test-bench for the investigation of innovative mechanisms of plasma ignition based on electrostatic waves (ES-W), obtained via the inner plasma EM-to-ES wave conversion. Evidences of Bernstein wave (BW) generation will be shown. The Langmuir probe measurements have revealed a strong increase of the ion saturation current, where the BW are generated or absorbed, this being a signature of possible high energy ion flows. The results are interpreted through the Bernstein wave heating theory, which predicts the formation of high speed rotating layers of the plasma (a dense plasma ring is in fact observed). High intensity inner plasma self-generated electric fields (on the order of several tens of kV/cm) come out by our calculations.

First storage of ion beams in the Double Electrostatic Ion-Ring Experiment: DESIREE.

PubMed

Schmidt, H T; Thomas, R D; Gatchell, M; Rosén, S; Reinhed, P; Löfgren, P; Brännholm, L; Blom, M; Björkhage, M; Bäckström, E; Alexander, J D; Leontein, S; Hanstorp, D; Zettergren, H; Liljeby, L; Källberg, A; Simonsson, A; Hellberg, F; Mannervik, S; Larsson, M; Geppert, W D; Rensfelt, K G; Danared, H; Paál, A; Masuda, M; Halldén, P; Andler, G; Stockett, M H; Chen, T; Källersjö, G; Weimer, J; Hansen, K; Hartman, H; Cederquist, H

2013-05-01

We report on the first storage of ion beams in the Double ElectroStatic Ion Ring ExpEriment, DESIREE, at Stockholm University. We have produced beams of atomic carbon anions and small carbon anion molecules (C(n)(-), n = 1, 2, 3, 4) in a sputter ion source. The ion beams were accelerated to 10 keV kinetic energy and stored in an electrostatic ion storage ring enclosed in a vacuum chamber at 13 K. For 10 keV C2 (-) molecular anions we measure the residual-gas limited beam storage lifetime to be 448 s ± 18 s with two independent detector systems. Using the measured storage lifetimes we estimate that the residual gas pressure is in the 10(-14) mbar range. When high current ion beams are injected, the number of stored particles does not follow a single exponential decay law as would be expected for stored particles lost solely due to electron detachment in collision with the residual-gas. Instead, we observe a faster initial decay rate, which we ascribe to the effect of the space charge of the ion beam on the storage capacity.

Electrostatic contribution to the persistence length of a semiflexible dipolar chain.

PubMed

Podgornik, Rudi

2004-09-01

We investigate the electrostatic contribution to the persistence length of a semiflexible polymer chain whose segments interact via a screened Debye-Hückel dipolar interaction potential. We derive the expressions for the renormalized persistence length on the level of a 1/D-expansion method already successfully used in other contexts of polyelectrolye physics. We investigate different limiting forms of the renormalized persistence length of the dipolar chain and show that, in, general, it depends less strongly on the screening length than in the context of a monopolar chain. We show that for a dipolar chain the electrostatic persistence length in the same regime of the parameter phase space as the original Odijk-Skolnick-Fixman (OSF) form for a monopolar chain depends logarithmically on the screening length rather than quadratically. This can be understood solely on the basis of a swifter decay of the dipolar interactions with separation compared to the monopolar electrostatic interactions. We comment also on the general contribution of higher multipoles to the electrostatic renormalization of the bending rigidity.

Electrostatic Wave Generation and Transverse Ion Acceleration by Alfvenic Wave Components of BBELF Turbulence

NASA Technical Reports Server (NTRS)

Singh, Nagendra; Khazanov, George; Mukhter, Ali

2007-01-01

We present results here from 2.5-D particle-in-cell simulations showing that the electrostatic (ES) components of broadband extremely low frequency (BBELF) waves could possibly be generated by cross-field plasma instabilities driven by the relative drifts between the heavy and light ion species in the electromagnetic (EM) Alfvenic component of the BBELF waves in a multi-ion plasma. The ES components consist of ion cyclotron as well as lower hybrid modes. We also demonstrate that the ES wave generation is directly involved in the transverse acceleration of ions (TAI) as commonly measured with the BBELF wave events. The heating is affected by ion cyclotron resonance in the cyclotron modes and Landau resonance in the lower hybrid waves. In the simulation we drive the plasma by the transverse electric field, E(sub y), of the EM waves; the frequency of E(sub y), omega(sub d), is varied from a frequency below the heavy ion cyclotron frequency, OMEGA(sub h), to below the light ion cyclotron frequency, OMEGA(sub i). We have also performed simulations for E(sub y) having a continuous spectrum given by a power law, namely, |Ey| approx. omega(sub d) (exp -alpha), where the exponent alpha = _, 1, and 2 in three different simulations. The driving electric field generates polarization and ExB drifts of the ions and electrons. When the interspecies relative drifts are sufficiently large, they drive electrostatic waves, which cause perpendicular heating of both light and heavy ions. The transverse ion heating found here is discussed in relation to observations from Cluster, FAST and Freja.

Inference of the ring current ion composition by means of charge exchange decay

NASA Technical Reports Server (NTRS)

Smith, P. H.; Hoffman, R. A.; Bewtra, N. K.

1981-01-01

The analysis of data from the Explorer 45 (S3-A) electrostatic analyzer in the energy range 5-30 keV has provided some new results on the ring current ion composition. It has been well established that the storm time ring current has a decay time of several days, during which the particle fluxes decrease nearly monotonically. By analyzing the measured ion fluxes during the several day storm recovery period and assuming that beside hydrogen other ions were present and that the decays were exponential in nature, three separate lifetimes for the ions were established. These fitted decay lifetimes are in excellent agreement with the expected charge exchange decay lifetimes for H(+), O(+) and He(+) in the energy and L value range of the data.

The Electrical Impact of Lightning Quasi-Electrostatic Fields on the Nighttime Lower Ionosphere: The Case of Negative Sprite Halos

NASA Astrophysics Data System (ADS)

Salem, M. A.; Liu, N.; Rassoul, H.

2016-12-01

It is well known that electrostatic (ES) and quasi-electrostatic (QE) fields can be established in the lower ionosphere by underlying thunderstorms. We recently found that although the thunderstorm ES field is not strong enough to produce transient luminous events (TLEs) such as halos and sprites, it generates significant effects on the electrical properties of the nighttime lower ionosphere [Salem et al., GRL., 42(6), doi: 10.1002/2015GL063268, 2015; Salem et al., GRL., 43(1), doi: 10.1002/2015GL066933, 2016]. In particular, according to Salem et al. [2016], the nighttime lower ionospheric height measured using the VLF wave reflection technique can be increased due to the effects of the ES field. In this work, we continue to study the nighttime lower ionospheric response to QE fields of cloud-to-ground (CG) lightning flashes. In contrast to thunderstorm ES fields, QE fields can be much stronger and trigger halos. Halos are relatively homogeneous glows centered on 75-85 km altitude, with a horizontal extent of tens of kilometers and a vertical thickness of several kilometers. They typically appear within a few milliseconds of their parent CGs. In particular, negative halos are caused by unusually impulsive negative CGs [Boggs et al., JGR. Atmos., doi: 10.1002/2015JD024188, 121(2), 2016; Liu et al., GRL., 43(6), doi: 10.1002/2016GL068256, 2016]. This study uses a one-dimensional plasma discharge fluid model combined with a simplified ionospheric ion chemistry model described by Liu [JGR., 117, doi: 10.1029/2011JA017062, 2012]. The response of the nighttime lower ionosphere to impulsive negative CGs is investigated for different ambient ionospheric density profiles and different CG properties (e.g., charge moment changes and charge transfer times). Finally, the modeling results of the lower ionosphere recovery time are analyzed to investigate the role of negative halos in producing different types of early VLF events.

Exchange repulsive potential adaptable for electronic structure changes during chemical reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yokogawa, D., E-mail: d.yokogawa@chem.nagoya-u.ac.jp

2015-04-28

Hybrid methods combining quantum mechanical (QM) and classical calculations are becoming important tools in chemistry. The popular approach to calculate the interaction between QM and classical calculations employs interatomic potentials. In most cases, the interatomic potential is constructed of an electrostatic (ES) potential and a non-ES potential. Because QM treatment is employed in the calculation of the ES potential, the electronic change can be considered in this ES potential. However, QM treatment of the non-ES potential is difficult because of high computational cost. To overcome this difficulty of evaluating the non-ES potential, we proposed an exchange repulsive potential as themore » main part of the non-ES potential on the basis of a QM approach. This potential is independent of empirical parameters and adaptable for electronic structure. We combined this potential with the reference interaction site model self-consistent field explicitly including spatial electron density distribution and successfully applied it to the chemical reactions in aqueous phase.« less

Parametric decay instability near the upper hybrid resonance in magnetically confined fusion plasmas

NASA Astrophysics Data System (ADS)

Hansen, S. K.; Nielsen, S. K.; Salewski, M.; Stejner, M.; Stober, J.; the ASDEX Upgrade Team

2017-10-01

In this paper we investigate parametric decay of an electromagnetic pump wave into two electrostatic daughter waves, particularly an X-mode pump wave decaying into a warm upper hybrid wave (a limit of an electron Bernstein wave) and a warm lower hybrid wave. We describe the general theory of the above parametric decay instability (PDI), unifying earlier treatments, and show that it may occur in underdense and weakly overdense plasmas. The PDI theory is used to explain anomalous sidebands observed in collective Thomson scattering (CTS) spectra at the ASDEX Upgrade tokamak. The theory may also account for similar observations during CTS experiments in stellarators, as well as in some 1st harmonic electron cyclotron resonance and O-X-B heating experiments.

A Superconducting Magnet UCN Trap for Precise Neutron Lifetime Measurements.

PubMed

Picker, R; Altarev, I; Bröcker, J; Gutsmiedl, E; Hartmann, J; Müller, A; Paul, S; Schott, W; Trinks, U; Zimmer, O

2005-01-01

Finite-element methods along with Monte Carlo simulations were used to design a magnetic storage device for ultracold neutrons (UCN) to measure their lifetime. A setup was determined which should make it possible to confine UCN with negligible losses and detect the protons emerging from β-decay with high efficiency: stacked superconducting solenoids create the magnetic storage field, an electrostatic extraction field inside the storage volume assures high proton collection efficiency. Alongside with the optimization of the magnetic and electrostatic design, the properties of the trap were investigated through extensive Monte Carlo simulation.

Determination of electrostatic force and its characteristics based on phase difference by amplitude modulation atomic force microscopy

NASA Astrophysics Data System (ADS)

Wang, Kesheng; Cheng, Jia; Yao, Shiji; Lu, Yijia; Ji, Linhong; Xu, Dengfeng

2016-12-01

Electrostatic force measurement at the micro/nano scale is of great significance in science and engineering. In this paper, a reasonable way of applying voltage is put forward by taking an electrostatic chuck in a real integrated circuit manufacturing process as a sample, applying voltage in the probe and the sample electrode, respectively, and comparing the measurement effect of the probe oscillation phase difference by amplitude modulation atomic force microscopy. Based on the phase difference obtained from the experiment, the quantitative dependence of the absolute magnitude of the electrostatic force on the tip-sample distance and applied voltage is established by means of theoretical analysis and numerical simulation. The results show that the varying characteristics of the electrostatic force with the distance and voltage at the micro/nano scale are similar to those at the macroscopic scale. Electrostatic force gradually decays with increasing distance. Electrostatic force is basically proportional to the square of applied voltage. Meanwhile, the applicable conditions of the above laws are discussed. In addition, a comparison of the results in this paper with the results of the energy dissipation method shows the two are consistent in general. The error decreases with increasing distance, and the effect of voltage on the error is small.

ELISA - an electrostatic storage ring for low-energy ions

NASA Astrophysics Data System (ADS)

Pape Moeller, Soeren

1997-05-01

The design of a new type of storage ring for low-energy ions using electrostatic deflection and focusing devices is described. Electrostatic bends and quadrupoles are used since they are more efficient than magnetic ones for low-velocity heavy ions. Furthermore, electrostatic devices are more compact and easier to construct than magnetic devices. In comparison to an electromagnetic trap, one important advantage of the elecrostatic ring is the easy access to the circulating beam and its decay products. These and other features, e.g. no magnetic fields, makes such storage devices attractive for many atomic-physics experiments. Also neigboring fields as chemistry and biology might benefit from such an relatively inexpensive device. One important difference between an electrostatic and a magnetic ring is, that the longitudinal energy is not conserved for the electrostatic ring. The actual ring will have a race-track shape as defined by two straight sections each with two quadrupole doublets connected by 180-degrees bends. The bends will consist of 160-degrees spherical deflection plates surrounded by two parallel plate 10-degrees bends. The storage ring ELISA, currently being built, will have a circumference of 6 meters. The first beam tests will take place during summer 1996.

Continuous-Tone Electrostatic Electrography

DTIC Science & Technology

1948-12-15

TRANSLATOR <»>: Schaf fort, R.M. Williams, D.I. WfOiwp, L*E, = TYRS. SERIES . NUMBER AND PERIOD OF R*RO«T COVERED: Quarterly Progress ropt fjT...a passing wire (a ohöft distance abo’ve tho plato) or a series qf point a or othor oourpoo of aom<^> ^mat similar geometry hold at high voltage In... temporale of tho plat©» If tho dark decay i„s not of thermal : origin, an exponential typo of decay would still ho anticipated. Ih such caoe

Protein extraction into the bicontinuous microemulsion phase of a Water/SDS/pentanol/dodecane winsor-III system: Effect on nanostructure and protein conformation

DOE PAGES

Hayes, Douglas G.; Ye, Ran; Dunlap, Rachel N.; ...

2017-09-07

Bicontinuous microemulsions (BμEs), consisting of water and oil nanodomains separated by surfactant monolayers of near-zero curvature, are potentially valuable systems for purification and delivery of biomolecules, for hosting multiphasic biochemical reactions, and as templating media for preparing nanomaterials. We formed Winsor-III systems by mixing aqueous protein and sodium dodecyl sulfate (SDS) solutions with dodecane and 1-pentanol (cosurfactant) to efficiently extract proteins into the middle (BμE) phase. Bovine serum albumin (BSA) and cytochrome c partitioned to the BμE phase at 64% and 81% efficiency, respectively, producing highly concentrated protein solutions (32 and 44 g L –1, respectively), through release of watermore » and oil from the BμEs. Circular dichroism spectroscopic analysis demonstrated that BSA underwent minor secondary structural changes upon incorporation into BμEs, while the secondary structure of cytochrome c and pepsin underwent major changes. Small-angle x-ray scattering (SAXS) results show that proteins promoted an increase of the interfacial fluidity and surface area per volume for the BμE surfactant monolayers, and that each protein uniquely altered self-assembly in the Winsor-III systems. Cytochrome c partitioned via electrostatic attractions between SDS and the protein’s positively-charged groups, residing near the surfactant head groups of BμE monolayers, where it decreased surfactant packing efficiency. BSA partitioned through formation of SDS-BSA complexes via hydrophobic and electrostatic attractive interactions. As the BSA-SDS ratio increased, complexes’ partitioning favored BμEs over the oil excess phase due to the increased hydrophilicity of the complexes. In conclusion, this study demonstrates the potential utility of BμEs to purify proteins and prepare nanostructured fluids possessing high protein concentration.« less

Protein extraction into the bicontinuous microemulsion phase of a Water/SDS/pentanol/dodecane winsor-III system: Effect on nanostructure and protein conformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hayes, Douglas G.; Ye, Ran; Dunlap, Rachel N.

Bicontinuous microemulsions (BμEs), consisting of water and oil nanodomains separated by surfactant monolayers of near-zero curvature, are potentially valuable systems for purification and delivery of biomolecules, for hosting multiphasic biochemical reactions, and as templating media for preparing nanomaterials. We formed Winsor-III systems by mixing aqueous protein and sodium dodecyl sulfate (SDS) solutions with dodecane and 1-pentanol (cosurfactant) to efficiently extract proteins into the middle (BμE) phase. Bovine serum albumin (BSA) and cytochrome c partitioned to the BμE phase at 64% and 81% efficiency, respectively, producing highly concentrated protein solutions (32 and 44 g L –1, respectively), through release of watermore » and oil from the BμEs. Circular dichroism spectroscopic analysis demonstrated that BSA underwent minor secondary structural changes upon incorporation into BμEs, while the secondary structure of cytochrome c and pepsin underwent major changes. Small-angle x-ray scattering (SAXS) results show that proteins promoted an increase of the interfacial fluidity and surface area per volume for the BμE surfactant monolayers, and that each protein uniquely altered self-assembly in the Winsor-III systems. Cytochrome c partitioned via electrostatic attractions between SDS and the protein’s positively-charged groups, residing near the surfactant head groups of BμE monolayers, where it decreased surfactant packing efficiency. BSA partitioned through formation of SDS-BSA complexes via hydrophobic and electrostatic attractive interactions. As the BSA-SDS ratio increased, complexes’ partitioning favored BμEs over the oil excess phase due to the increased hydrophilicity of the complexes. In conclusion, this study demonstrates the potential utility of BμEs to purify proteins and prepare nanostructured fluids possessing high protein concentration.« less

Measurements of plasma loading in the presence of electrostatic waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riccardi, C.; Agostini, E.; Fontanesi, M.

1995-10-01

An experimental analysis of the plasma impedance with respect to the coupling of ES (electrostatic) waves is described in this paper. The waves are excited through a slow-wave antenna and the experiment performed in a toroidal device [C. Riccardi {ital et} {ital al}., Plasma Phys. {bold 36}, 1791 (1994)]. The measured impedance is compared with a simple theoretical model for magnetized homogeneous plasma, in order to establish the presence of bulk or surface waves and of some nonlinear effects when power is raised. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

Dressed ion theory of size-asymmetric electrolytes: effective ionic charges and the decay length of screened Coulomb potential and pair correlations.

PubMed

Forsberg, Björn; Ulander, Johan; Kjellander, Roland

2005-02-08

The effects of ionic size asymmetry on long-range electrostatic interactions in electrolyte solutions are investigated within the primitive model. Using the formalism of dressed ion theory we analyze correlation functions from Monte Carlo simulations and the hypernetted chain approximation for size asymmetric 1:1 electrolytes. We obtain decay lengths of the screened Coulomb potential, effective charges of ions, and effective permittivity of the solution. It is found that the variation of these quantities with the degree of size asymmetry depends in a quite intricate manner on the interplay between the electrostatic coupling and excluded volume effects. In most cases the magnitude of the effective charge of the small ion species is larger than that of the large species; the difference increases with increasing size asymmetry. The effective charges of both species are larger (in absolute value) than the bare ionic charge, except for high asymmetry where the effective charge of the large ions can become smaller than the bare charge.

Rapid decay of nonlinear whistler waves in two dimensions: Full particle simulation

NASA Astrophysics Data System (ADS)

Umeda, Takayuki; Saito, Shinji; Nariyuki, Yasuhiro

2017-05-01

The decay of a nonlinear, short-wavelength, and monochromatic electromagnetic whistler wave is investigated by utilizing a two-dimensional (2D) fully relativistic electromagnetic particle-in-cell code. The simulation is performed under a low-beta condition in which the plasma pressure is much lower than the magnetic pressure. It has been shown that the nonlinear (large-amplitude) parent whistler wave decays through the parametric instability in a one-dimensional (1D) system. The present study shows that there is another channel for the decay of the parent whistler wave in 2D, which is much faster than in the timescale of the parametric decay in 1D. The parent whistler wave decays into two sideband daughter whistlers propagating obliquely with respect to the ambient magnetic field with a frequency close to the parent wave and two quasi-perpendicular electromagnetic modes with a frequency close to zero via a 2D decay instability. The two sideband daughter oblique whistlers also enhance a nonlinear longitudinal electrostatic wave via a three-wave interaction as a secondary process.

Low Mach-number collisionless electrostatic shocks and associated ion acceleration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pusztai, Istvan; TenBarge, Jason; Csapó, Aletta N.

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. By using this semi-analytical model, we also study the effect of electron-to-ion temperature ratio and presence of impurities on both the maximum shock potential and Mach number. We find that even a small amount of impurities can influence the shock propertiesmore » 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.« less

Low Mach-number collisionless electrostatic shocks and associated ion acceleration

DOE PAGES

Pusztai, Istvan; TenBarge, Jason; Csapó, Aletta N.; ...

2017-12-19

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. By using this semi-analytical model, we also study the effect of electron-to-ion temperature ratio and presence of impurities on both the maximum shock potential and Mach number. We find that even a small amount of impurities can influence the shock propertiesmore » 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.« less

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

PubMed

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.

Understanding electric field-enhanced transport for the measurement of nanoparticles and their assembly on surfaces

NASA Astrophysics Data System (ADS)

Tsai, De-Hao

The goal of this dissertation is to understand the synthesis, characterization, and integration of nanoparticles and nanoparticle-based devices by electric field-enhanced transport of nanoparticles. Chapter I describes the factors used for determining particle trajectories and found that electric fields provide the directional electrostatic force to overcome other non-directional influences on particle trajectories. This idea is widely applied in the nanoparticle classification, characterization, and assembly onto substrate surfaces as investigated in the following chapters. Chapter 2 presents a new assembly method to position metal nanoparticles delivered from the gas phase onto surfaces using the electrostatic force generated by biased p-n junction patterned substrates. Aligned deposition patterns of metal nanoparticles were observed, and the patterning selectivity quantified. A simple model accounting for the generated electric field, and the electrostatic, van der Waals, and image forces was used to explain the observed results. Chapter 2.2 describes a data set for particle size resolved deposition, from which a Brownian dynamics model for the process can be evaluated. Brownian motion and fluid convection of nanoparticles, as well as the interactions between the charged nanoparticles and the patterned substrate, including electrostatic force, image force and van der Waals force, are accounted for in the simulation. Using both experiment and simulation the effects of the particle size, electric field intensity, and the convective flow on coverage selectivity have been investigated. Coverage selectivity is most sensitive to electric field, which is controlled by the applied reverse bias voltage across the p-n junction. A non-dimensional analysis of the competition between the electrostatic and diffusion force is found to provide a means to collapse a wide range of process operating conditions and an effective indicator or process performance. Directed assembly of size-selected nanoparticles has been applied in the study of nanoparticle enhanced fluorescence (NEF) bio-sensing devices. Chapter 3 presents results of a systematic examination of funct onalized gold nanoparticles by electrospray-differential mobility analysis (ES-DMA). Formation of selfassembled monolayers (SAMs) of alkylthiol molecules and singly stranded DNA (ssDNA) on the Au-NP surface was detected from a change in particle mobility, which could be modeled to extract the surface packing density. A gas-phase temperature-programmed desorption (TPD) kinetic study of SAMs on the Au-NP found the data to be consistent with a second order Arrhenius based rate law, yielding an Arrhenius-factor of 1x1011s -1 and an activation energy ˜105 kJ/mol. This study suggests that the ES-DMA can be added to the tool set of characterization methods being employed and developed to study the structure and properties of coated nanoparticles. Chapter 3.2 demonstrates this ES-DMA as a new method to investigate colloidal aggregation and the parameters that govern it. Nanoparticle suspensions were characterized by sampling a Au nanoparticle (Au-NP) colloidal solution via electrospray (ES), followed by differential ion-mobility analysis (DMA) to determine the mobility distribution, and thus the aggregate distribution. By sampling at various times, the degree of flocculation and the flocculation rate are determined and found to be inversely proportional to the ionic strength and proportional to the residence time. A stability ratio at different ionic strengths, the critical concentration, and surface potential or surface charge density of Au-NPs are obtained from these data. This method should be a generically useful tool to probe the early stages of colloidal aggregation. Study of ES-DMA is extended to include the characterizations of a variety of materials. Biologically interested materials such as viruses and antibodies could also be characterized. These results show ES-DMA provides a general way to characterize the colloidal materials as well as aerosolized particles.

Differentiating oral lesions in different carcinogenesis stages with optical coherence tomography

NASA Astrophysics Data System (ADS)

Tsai, Meng-Tsan; Lee, Cheng-Kuang; Lee, Hsiang-Chieh; Chen, Hsin-Ming; Chiang, Chun-Pin; Wang, Yih-Ming; Yang, Chih-Chung

2009-07-01

A swept-source optical coherence tomography (SS-OCT) system is used to clinically scan oral lesions in different oral carcinogenesis stages, including normal oral mucosa control, mild dysplasia (MiD), moderate dysplasia (MoD), early-stage squamous cell carcinoma (ES-SCC), and well-developed SCC (WD-SCC), for diagnosis purpose. On the basis of the analyses of the SS-OCT images, the stages of dysplasia (MiD and MoD), and SCC (ES-SCC and WD-SCC) can be differentiated from normal control by evaluating the depth-dependent standard deviation (SD) values of lateral variations. In the dysplasia stage, the boundary between the epithelium (EP) and lamina propria (LP) layers can still be identified and the EP layer becomes significantly thicker than that of normal control. Also, in a certain range of the EP layer above the EP/LP boundary, the SD value becomes larger than a certain percentage of the maximum level, which is observed around the EP/LP boundary. On the other hand, in the ES-SCC and WD-SCC stages, the EP/LP boundary disappears. Because of the higher density of connective tissue papillae in the ES-SCC stage, the SD values of the slowly varying lateral scan profiles in the ES-SCC samples are significantly larger than those in the WD-SCC sample. Also, ES-SCC can be differentiated from WD-SCC by comparing the exponential decay constants of averaged A-mode scan profiles. Because of the higher tissue absorption in the WD-SCC lesion, the decay constants in the WD-SCC samples are significantly higher than those in the ES-SCC samples.

Towards saturation of the electron-capture delayed fission probability: The new isotopes 240Es and 236Bk

NASA Astrophysics Data System (ADS)

Konki, J.; Khuyagbaatar, J.; Uusitalo, J.; Greenlees, P. T.; Auranen, K.; Badran, H.; Block, M.; Briselet, R.; Cox, D. M.; Dasgupta, M.; Di Nitto, A.; Düllmann, Ch. E.; Grahn, T.; Hauschild, K.; Herzán, A.; Herzberg, R.-D.; Heßberger, F. P.; Hinde, D. J.; Julin, R.; Juutinen, S.; Jäger, E.; Kindler, B.; Krier, J.; Leino, M.; Lommel, B.; Lopez-Martens, A.; Luong, D. H.; Mallaburn, M.; Nishio, K.; Pakarinen, J.; Papadakis, P.; Partanen, J.; Peura, P.; Rahkila, P.; Rezynkina, K.; Ruotsalainen, P.; Sandzelius, M.; Sarén, J.; Scholey, C.; Sorri, J.; Stolze, S.; Sulignano, B.; Theisen, Ch.; Ward, A.; Yakushev, A.; Yakusheva, V.

2017-01-01

The new neutron-deficient nuclei 240Es and 236Bk were synthesised at the gas-filled recoil separator RITU. They were identified by their radioactive decay chains starting from 240Es produced in the fusion-evaporation reaction 209Bi(34S,3n)240Es. Half-lives of 6 (2)s and 22-6+13s were obtained for 240Es and 236Bk, respectively. Two groups of α particles with energies Eα = 8.19 (3)MeV and 8.09 (3)MeV were unambiguously assigned to 240Es. Electron-capture delayed fission branches with probabilities of 0.16 (6) and 0.04 (2) were measured for 240Es and 236Bk, respectively. These new data show a continuation of the exponential increase of ECDF probabilities in more neutron-deficient isotopes.

Portable apparatus for the measurement of environmental radon and thoron

DOEpatents

Negro, Vincent C.

2001-01-01

The radometer is a portable instrument for the measurement of the concentration of atmospheric radon/thoron in a test area. A constant velocity pump pulls the air from the outside at a constant flow rate. If the air is too moist, some or all of the sample is passed through a desiccant filter prior to encountering an electrostatic filter. The electrostatic filter prevents any charged particles from entering the sampling chamber. Once the sample has entered the chamber, the progeny of the decay of radon/thoron are collected on a detector and measured. The measured data is compiled by a computer and displayed.

Electrostatic Characterization of Lunar Dust Simulants

NASA Technical Reports Server (NTRS)

Calle, C. I.; Buhler, C. R.; Ritz, M. L.

2008-01-01

Lunar dust can jeopardize exploration activities due to its ability to cling to most surfaces. In this paper, we report on our measurements of the electrostatic properties of the lunar soil simulants. Methods have been developed to measure the volume resistivity, dielectric constant, chargeability, and charge decay of lunar soil. While the first two parameters have been measured in the past [Olhoeft 1974], the last two have never been measured directly on the lunar regolith or on any of the Apollo samples. Measurements of the electrical properties of the lunar samples are being performed in an attempt to answer important problems that must be solved for the development of an effective dust mitigation technology, namely, how much charge can accumulate on the dust and how long does the charge remain on surfaces. The measurements will help develop coatings that are compatible with the intrinsic electrostatic properties of the lunar regolith.

Towards predictive molecular dynamics simulations of DNA: electrostatics and solution/crystal environments

NASA Astrophysics Data System (ADS)

Babin, Volodymr; Baucom, Jason; Darden, Thomas; Sagui, Celeste

2006-03-01

We have investigated to what extend molecular dynamics (MD) simulatons can reproduce DNA sequence-specific features, given different electrostatic descriptions and different cell environments. For this purpose, we have carried out multiple unrestrained MD simulations of the duplex d(CCAACGTTGG)2. With respect to the electrostatic descriptions, two different force fields were studied: a traditional description based on atomic point charges and a polarizable force field. With respect to the cell environment, the difference between crystal and solution environments is emphasized, as well as the structural importance of divalent ions. By imposing the correct experimental unit cell environment, an initial configuration with two ideal B-DNA duplexes in the unit cell is shown to converge to the crystallographic structure. To the best of our knowledge, this provides the first example of a multiple nanosecond MD trajectory that shows and ideal structure converging to an experimental one, with a significant decay of the RMSD.

Double-exponential decay of orientational correlations in semiflexible polyelectrolytes.

PubMed

Bačová, P; Košovan, P; Uhlík, F; Kuldová, J; Limpouchová, Z; Procházka, K

2012-06-01

In this paper we revisited the problem of persistence length of polyelectrolytes. We performed a series of Molecular Dynamics simulations using the Debye-Hückel approximation for electrostatics to test several equations which go beyond the classical description of Odijk, Skolnick and Fixman (OSF). The data confirm earlier observations that in the limit of large contour separations the decay of orientational correlations can be described by a single-exponential function and the decay length can be described by the OSF relation. However, at short countour separations the behaviour is more complex. Recent equations which introduce more complicated expressions and an additional length scale could describe the results very well on both the short and the long length scale. The equation of Manghi and Netz when used without adjustable parameters could capture the qualitative trend but deviated in a quantitative comparison. Better quantitative agreement within the estimated error could be obtained using three equations with one adjustable parameter: 1) the equation of Manghi and Netz; 2) the equation proposed by us in this paper; 3) the equation proposed by Cannavacciuolo and Pedersen. Two characteristic length scales can be identified in the data: the intrinsic or bare persistence length and the electrostatic persistence length. All three equations use a single parameter to describe a smooth crossover from the short-range behaviour dominated by the intrinsic stiffness of the chain to the long-range OSF-like behaviour.

Plasma waves associated with the first AMPTE magnetotail barium release

NASA Technical Reports Server (NTRS)

Gurnett, D. A.; Anderson, R. R.; Bernhardt, P. A.; Luehr, H.; Haerendel, G.

1986-01-01

Plasma waves observed during the March 21, 1985, AMPTE magnetotail barium release are described. Electron plasma oscillations provided local measurements of the plasma density during both the expansion and decay phases. Immediately after the explosion, the electron density reached a peak of about 400,000/cu cm, and then started decreasing approximately as t to the -2.4 as the cloud expanded. About 6 minutes after the explosion, the electron density suddenly began to increase, reached a secondary peak of about 240/cu cm, and then slowly decayed down to the preevent level over a period of about 15 minutes. The density increase is believed to be caused by the collapse of the ion cloud into the diamagnetic cavity created by the initial expansion. The plasma wave intensities observed during the entire event were quite low. In the diamagnetic cavity, electrostatic emissions were observed near the barium ion plasma frequency, and in another band at lower frequencies. A broadband burst of electrostatic noise was also observed at the boundary of the diamagnetic cavity. Except for electron plasma oscillations, no significant wave activity was observed outside of the diamagnetic cavity.

Dynamic of Langmuir and Ion-Sound Waves in Type 3 Solar Radio Sources

NASA Technical Reports Server (NTRS)

Robinson, P. A.; Willes, A. J.; Cairns, I. H.

1993-01-01

The evolution of Langmuir and ion-sound waves in type 3 sources is investigated, incorporating linear growth, linear damping, and nonlinear electrostatic decay. Improved estimates are obtained for the wavenumber range of growing waves and the nonlinear coupling coefficient for the decay process. The resulting prediction for the electrostatic decay threshold is consistent with the observed high-field cutoff in the Langmuir field distribution. It is shown that the conditions in the solar wind do not allow a steady state to be attained; rather, bursty linear and nonlinear interactions take place, consistent with the highly inhomogeneous and impulsive waves actually observed. Nonlinear growth is found to be fast enough to saturate the growth of the parent Langmuir waves in the available interaction time. The resulting levels of product Langmuir and ion-sound waves are estimated theoretically and shown to be consistent with in situ ISEE 3 observations of type 3 events at 1 AU. Nonlinear interactions slave the growth and decay of product sound waves to that of the product Langmuir waves. The resulting probability distribution of ion-sound field strengths is predicted to have a flat tail extending to a high-field cutoff. This prediction is consistent with statistics derived here from ISEE 3 observations. Agreement is also found between the frequencies of the observed waves and predictions for the product S waves. The competing processes of nonlinear wave collapse and quasilinear relaxation are discussed, and it is concluded that neither is responsible for the saturation of Langmuir growth. When wave and beam inhomogeneities are accounted for, arguments from quasi-linear relaxation yield an upper bound on the Langmuir fields that is too high to be relevant. Nor are the criteria for direct wave collapse of the beam-driven waves met, consistent with earlier simulation results that imply that this process is not responsible for saturation of the beam instability. Indeed, even if the highest observed Langmuir fields are assumed to he part of a long-wavelength 'condensate' produced via electrostatic decay, they still fall short of the relevant requirements for wave collapse. The most stringent requirement for collapse is that collapsing wave packets not be disrupted by ambient density fluctuations in the solar wind. Fields of several mV m(exp -1) extending over several hundred km would be needed to satisfy this requirement; at 1 AU such fields are rare at best.

The electrostatic properties of Fiber-Reinforced-Plastics double wall underground storage gasoline tanks

NASA Astrophysics Data System (ADS)

Li, Yipeng; Liu, Quanzhen; Meng, He; Sun, Lifu; Zhang, Yunpeng

2013-03-01

At present Fiber Reinforced Plastics (FRP) double wall underground storage gasoline tanks are wildly used. An FRP product with a resistance of more than 1011 Ω is a static non-conductor, so it is difficult for the static electricity in the FRP product to decay into the earth. In this paper an experimental system was built to simulate an automobile gasoline filling station. Some electrostatic parameters of the gasoline, including volume charge density, were tested when gasoline was unloaded into a FRP double wall underground storage tank. Measurements were taken to make sure the volume charge density in the oil-outlet was similar to the volume charge density in the tank. In most cases the volume charge density of the gasoline was more than 22.7 μC m-3, which is likely to cause electrostatic discharge in FRP double wall underground storage gasoline tanks. On the other hand, it would be hard to ignite the vapor by electrostatic discharge since the vapor pressure in the tanks is over the explosion limit. But when the tank is repaired or re-used, the operators must pay attention to the static electricity and some measurements should be taken to avoid electrostatic accident. Besides the relaxation time of charge in the FRP double wall gasoline storage tanks should be longer.

Status of the VEGA Project

NASA Astrophysics Data System (ADS)

Kamanin, D. V.; Alexandrov, A. A.; Alexandrova, I. A.; Kondtatyev, N. A.; Kuznetsova, E. A.; Shvetsov, V. N.; Strekalovsky, A. O.; Strekalovsky, O. V.; Zhuchko, V. E.; Pyatkov, Yu. V.; Jacobs, N.; Malaza, V.

2015-06-01

Motivation and status of the VEGA (Velocity-Energy Guide based Array) project is presented. One armed fission fragments spectrometer with an electrostatic guide system is proposed for installation at the vertical experimental channel of the IBR-2 reactor. Scientific program aimed at investigation of new multi-body decays of actinides, shapeisomeric states in fission fragments and fission modes is reported.

Electro-osmotic flow of semidilute polyelectrolyte solutions.

PubMed

Uematsu, Yuki; Araki, Takeaki

2013-09-07

We investigate electro-osmosis in aqueous solutions of polyelectrolytes using mean-field equations. A solution of positively charged polyelectrolytes is confined between two negatively charged planar surfaces, and an electric field is applied parallel to the surfaces. When electrostatic attraction between the polymer and the surface is strong, the polymers adhere to the surface, forming a highly viscous adsorption layer that greatly suppresses the electro-osmosis. Conversely, electro-osmosis is enhanced by depleting the polymers from the surfaces. We also found that the electro-osmotic flow is invertible when the electrostatic potential decays to its bulk value with the opposite sign. These behaviors are well explained by a simple mathematical form of the electro-osmotic coefficient.

Assurance Policy Evaluation - Spacecraft and Strategic Systems

DTIC Science & Technology

2014-09-17

electromechanical (EEE) parts, software, design and workmanship, work instructions, manufacturing and tooling, cleanrooms, electrostatic discharge ...T9001B.  An external group, called the Evaluation and Assessment Team, made up of product assurance subject matter experts from NSWC Corona performs...NSWC, Corona and SSP Technical Branch(es). The FTPE, performed every 3 years, is an objective evaluation of facility performance to assure proper

Neutrino Observations from the Sudbury Neutrino Observatory

DOE R&D Accomplishments Database

Q. R. Ahmad, R. C. Allen, T. C. Andersen, J. D. Anglin, G. B?hler, J. C. Barton, E. W. Beier, M. Bercovitch, J. Bigu, S. Biller, R. A. Black, I. Blevis, R. J. Boardman, J. Boger, E. Bonvin, M. G. Boulay, M. G. Bowler, T. J. Bowles, S. J. Brice, M. C. Browne, T. V. Bullard, T. H. Burritt, K. Cameron, J. Cameron, Y. D. Chan, M. Chen, H. H. Chen, X. Chen, M. C. Chon, B. T. Cleveland, E. T. H. Clifford, J. H. M. Cowan, D. F. Cowen, G. A. Cox, Y. Dai, X. Dai, F. Dalnoki-Veress, W. F. Davidson, P. J. Doe, G. Doucas, M. R. Dragowsky, C. A. Duba, F. A. Duncan, J. Dunmore, E. D. Earle, S. R. Elliott, H. C. Evans, G. T. Ewan, J. Farine, H. Fergani, A. P. Ferraris, R. J. Ford, M. M. Fowler, K. Frame, E. D. Frank, W. Frati, J. V. Germani, S. Gil, A. Goldschmidt, D. R. Grant, R. L. Hahn, A. L. Hallin, E. D. Hallman, A. Hamer, A. A. Hamian, R. U. Haq, C. K. Hargrove, P. J. Harvey, R. Hazama, R. Heaton, K. M. Heeger, W. J. Heintzelman, J. Heise, R. L. Helmer, J. D. Hepburn, H. Heron, J. Hewett, A. Hime, M. Howe, J. G. Hykawy, M. C. P. Isaac, P. Jagam, N. A. Jelley, C. Jillings, G. Jonkmans, J. Karn, P. T. Keener, K. Kirch, J. R. Klein, A. B. Knox, R. J. Komar, R. Kouzes, T. Kutter, C. C. M. Kyba, J. Law, I. T. Lawson, M. Lay, H. W. Lee, K. T. Lesko, J. R. Leslie, I. Levine, W. Locke, M. M. Lowry, S. Luoma, J. Lyon, S. Majerus, H. B. Mak, A. D. Marino, N. McCauley, A. B. McDonald, D. S. McDonald, K. McFarlane, G. McGregor, W. McLatchie, R. Meijer Drees, H. Mes, C. Mifflin, G. G. Miller, G. Milton, B. A. Moffat, M. Moorhead, C. W. Nally, M. S. Neubauer, F. M. Newcomer, H. S. Ng, A. J. Noble, E. B. Norman, V. M. Novikov, M. O'Neill, C. E. Okada, R. W. Ollerhead, M. Omori, J. L. Orrell, S. M. Oser, A. W. P. Poon, T. J. Radcliffe, A. Roberge, B. C. Robertson, R. G. H. Robertson, J. K. Rowley, V. L. Rusu, E. Saettler, K. K. Schaffer, A. Schuelke, M. H. Schwendener, H. Seifert, M. Shatkay, J. J. Simpson, D. Sinclair, P. Skensved, A. R. Smith, M. W. E. Smith, N. Starinsky, T. D. Steiger, R. G. Stokstad, R. S. Storey, B. Sur, R. Tafirout, N. Tagg, N. W. Tanner, R. K. Taplin, M. Thorman, P. Thornewell, P. T. Trent, Y. I. Tserkovnyak, R. Van Berg, R. G. Van de Water, C. J. Virtue, C. E. Waltham, J.-X. Wang, D. L. Wark, N. West, J. B. Wilhelmy, J. F. Wilkerson, J. Wilson, P. Wittich, J. M. Wouters, and M. Yeh

2001-09-24

The Sudbury Neutrino Observatory (SNO) is a water imaging Cherenkov detector. Its usage of 1000 metric tons of D{sub 2}O as target allows the SNO detector to make a solar-model independent test of the neutrino oscillation hypothesis by simultaneously measuring the solar {nu}{sub e} flux and the total flux of all active neutrino species. Solar neutrinos from the decay of {sup 8}B have been detected at SNO by the charged-current (CC) interaction on the deuteron and by the elastic scattering (ES) of electrons. While the CC reaction is sensitive exclusively to {nu}{sub e}, the ES reaction also has a small sensitivity to {nu}{sub {mu}} and {nu}{sub {tau}}. In this paper, recent solar neutrino results from the SNO experiment are presented. It is demonstrated that the solar flux from {sup 8}B decay as measured from the ES reaction rate under the no-oscillation assumption is consistent with the high precision ES measurement by the Super-Kamiokande experiment. The {nu}{sub e} flux deduced from the CC reaction rate in SNO differs from the Super-Kamiokande ES results by 3.3{sigma}. This is evidence for an active neutrino component, in additional to {nu}{sub e}, in the solar neutrino flux. These results also allow the first experimental determination of the total active {sup 8}B neutrino flux from the Sun, and is found to be in good agreement with solar model predictions.

pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring.

PubMed

Jiménez-García, Brian; Pons, Carles; Fernández-Recio, Juan

2013-07-01

pyDockWEB is a web server for the rigid-body docking prediction of protein-protein complex structures using a new version of the pyDock scoring algorithm. We use here a new custom parallel FTDock implementation, with adjusted grid size for optimal FFT calculations, and a new version of pyDock, which dramatically speeds up calculations while keeping the same predictive accuracy. Given the 3D coordinates of two interacting proteins, pyDockWEB returns the best docking orientations as scored mainly by electrostatics and desolvation energy. The server does not require registration by the user and is freely accessible for academics at http://life.bsc.es/servlet/pydock. Supplementary data are available at Bioinformatics online.

Surface charge accumulation of particles containing radionuclides in open air

DOE PAGES

Kim, Yong-ha; Yiacoumi, Sotira; Tsouris, Costas

2015-05-01

Radioactivity can induce charge accumulation on radioactive particles. But, electrostatic interactions caused by radioactivity are typically neglected in transport modeling of radioactive plumes because it is assumed that ionizing radiation leads to charge neutralization. The assumption that electrostatic interactions caused by radioactivity are negligible is evaluated here by examining charge accumulation and neutralization on particles containing radionuclides in open air. Moreover, a charge-balance model is employed to predict charge accumulation on radioactive particles. It is shown that particles containing short-lived radionuclides can be charged with multiple elementary charges through radioactive decay. The presence of radioactive particles can significantly modify themore » particle charge distribution in open air and yield an asymmetric bimodal charge distribution, suggesting that strong electrostatic particle interactions may occur during short- and long-range transport of radioactive particles. Possible effects of transported radioactive particles on electrical properties of the local atmosphere are reported. Our study offers insight into transport characteristics of airborne radionuclides. Results are useful in atmospheric transport modeling of radioactive plumes.« less

Alcohol vapours sensor based on thin polyaniline salt film and quartz crystal microbalance.

PubMed

Ayad, Mohamad M; Torad, Nagy L

2009-06-15

A sensor based on the quartz crystal microbalance (QCM) technique was developed for detection of a number of primary aliphatic alcohols such as ethanol, methanol, 1-propanol, and 2-propanol vapours. Detection was based on a sensitive and a thin film of polyaniline, emeraldine salt (ES), coated the QCM electrode. The frequency shifts (Delta f) of the QCM were increased due to the vapour absorption into the ES film. The values of Delta f were found to be linearly correlated with the concentrations of alcohols vapour in mg L(-1). The changes in frequency are due to the hydrophilic character of the ES and the electrostatic interaction as well as the type of the alcohol. The sensor shows a good reproducibility and reversibility. The diffusion and diffusion coefficient (D) of different alcohols vapour were determined. It was found that the sensor follows Fickian kinetics.

aCORN Beta Spectrometer and Electrostatic Mirror

NASA Astrophysics Data System (ADS)

Hassan, Md; aCORN Collaboration

2013-10-01

aCORN uses a high efficiency backscatter suppressed beta spectrometer to measure the electron-antineutrino correlation in neutron beta decay. We measure the correlation by counting protons and beta electrons in coincidence with precisely determined electron energy. There are 19 photomultiplier tubes arranged in a hexagonal array coupled to a single phosphor doped polystyrene scintillator. The magnetic field is shaped so that electrons that backscatter without depositing their full energy strike a tulip-shaped array of scintillator paddles and these events are vetoed. The detailed construction, performance and calibration of this beta spectrometer will be presented. I will also present the simulation, construction, and features of our novel electrostatic mirror. This work was supported by the National Science Foundation and the NIST Center for Neutron Research.

Event counting alpha detector

DOEpatents

Bolton, Richard D.; MacArthur, Duncan W.

1996-01-01

An electrostatic detector for atmospheric radon or other weak sources of alpha radiation. In one embodiment, nested enclosures are insulated from one another, open at the top, and have a high voltage pin inside and insulated from the inside enclosure. An electric field is produced between the pin and the inside enclosure. Air ions produced by collision with alpha particles inside the decay volume defined by the inside enclosure are attracted to the pin and the inner enclosure. With low alpha concentrations, individual alpha events can be measured to indicate the presence of radon or other alpha radiation. In another embodiment, an electrical field is produced between parallel plates which are insulated from a single decay cavity enclosure.

Event counting alpha detector

DOEpatents

Bolton, R.D.; MacArthur, D.W.

1996-08-27

An electrostatic detector is disclosed for atmospheric radon or other weak sources of alpha radiation. In one embodiment, nested enclosures are insulated from one another, open at the top, and have a high voltage pin inside and insulated from the inside enclosure. An electric field is produced between the pin and the inside enclosure. Air ions produced by collision with alpha particles inside the decay volume defined by the inside enclosure are attracted to the pin and the inner enclosure. With low alpha concentrations, individual alpha events can be measured to indicate the presence of radon or other alpha radiation. In another embodiment, an electrical field is produced between parallel plates which are insulated from a single decay cavity enclosure. 6 figs.

Nanoconfined ionic liquids: Disentangling electrostatic and viscous forces

NASA Astrophysics Data System (ADS)

Lhermerout, Romain; Perkin, Susan

2018-01-01

Recent reports of surface forces across nanoconfined ionic liquids have revealed the existence of an anomalously long-ranged interaction apparently of electrostatic origin. Ionic liquids are viscous, and therefore it is important to inspect rigorously whether the observed repulsive forces are indeed equilibrium forces or, rather, arise from the viscous force during drainage of the fluid between two confining surfaces. In this paper we present our direct measurements of surface forces between mica sheets approaching in the ionic liquid [C2C1Im ] [NTf2] , exploring three orders of magnitude in approach velocity. Trajectories are systematically fitted by solving the equation of motion, allowing us to disentangle the viscous and equilibrium contributions. First, we find that the drainage obeys classical hydrodynamics with a negative slip boundary condition in the range of the structural force, implying that a nanometer -thick portion of the liquid in the vicinity of the solid surface is composed of ordered molecules that do not contribute to the flow. Second, we show that a long-range static force must indeed be invoked, in addition to the viscous force, in order to describe the data quantitatively. This equilibrium interaction decays exponentially and with decay length in agreement with the screening length reported for the same system in previous studies. In those studies the decay was simply checked to be independent of velocity and measured at a low approach rate, rather than explicitly taking account of viscous effects: we explain why this gives indistinguishable outcomes for the screening length by noting that the viscous force is linear to very good approximation over a wide range of distances.

Oral health status of handicapped primary school pupils in Dar es Salaam, Tanzania.

PubMed

Simon, E N M; Matee, M I; Scheutz, F

2008-03-01

There is hardly any information regarding oral health status of handicapped primary school pupils in Tanzania. Determination of their oral health status could help in planning sustainable intervention programmes for this disadvantaged group. To determine caries and periodontal status and treatment needs of handicapped primary school pupils in Dar es Salaam, Tanzania. A descriptive cross-sectional study. Uhuru Mchanganyiko and Buguruni special schools, Dar es Salaam. The sample consisted of 179 (55.8%) males and 142 (44.2%) females aged between 7 and 22 years. Majority (71%) were deaf followed by blind (17.8%) and mentally retarded (8.7%). Six (1.9%) pupils were both deaf and blind, while one (0.3%) pupil was blind and mentally retarded. Forty one (12.8%) pupils had at least one decayed deciduous tooth, with the mean (dmfs) ranging from 0.25 to 3.24. The deaf had the highest mean decayed surfaces, followed by the mentally retarded and the blind. There was only one (0.3%) pupil who had a filled deciduous tooth. Thirty three (10.3%) pupils had decayed permanent teeth and 31 (9.7%) had missing permanent teeth. None of the decayed permanent teeth were restored. The blind had the lowest mean deciduous surfaces (DS) scores of between 0 and 1.0. In the mentally retarded group the mean DS ranged from 0.25 to 1.75. About 73.5% of the studied group had bleeding of the gums, with the blind having the highest mean bleeding index scores (p < 0.001) and about 82.8% of the pupils had calculus, with highest mean scores mainly among the blind (p = 0.008). The caries prevalence among handicapped primary school pupils was quite low. However, there was relatively high level of gingival bleeding and calculus. Regarding treatment needs, 23% required dental fillings mainly of one and two surface restorations and 82% required scaling and polishing. Despite these treatment needs these pupils had not received any dental attention.

Inter-conversion of Work and Heat With Plasma Electric Fields

NASA Astrophysics Data System (ADS)

Avinash, K.

2010-11-01

Thermodynamics of a model system where a group of cold charged particles locally confined in a volume VP within a warm plasma of temperature T and fixed volume V (VP<

On the Numerical Analysis of Decay Rate Enhancement in Metallic Environment

NASA Astrophysics Data System (ADS)

Mehedinteanu, S.

2007-10-01

Motivated on the very recent experiments to determine the acceleration of the alpha decay of meta-stable radionuclides in metallic environment some work has been done to strengthten the importance in the process of electrons screening in metals. Thus, by combining the Gamow decay theory with electrostatic screening in Debye-Hückel approximation (jellium model) a formula for ``the shift'' in screening energy which enters in the decay enhancement factor expression that copes well with these experiments has been derived. It was established that to simulate the poly-atoms system containing decaying isotopes in QM&MD codes calculations, and to include ``the screening energy shift'' of protons, decay alpha, beta+ particles due to all surrounding interacting effects, it is sufficiently only to substitute the code ruly pseudo-potential input for hydrogen-like atoms (including alpha) by a screened Coulomb potential as from the well-known Gamow alpha decay theory. For demonstration is used the QM&MD code package which usually performs density-functional theory (DFT) total-energy calculations for materials ranging from insulators to transition metals. This package employs first-principles pseudo-potentials and a plane-wave basis-set, and it was used to do a special calculus for some metal environments (Pd) where protons-deuterons are implanted or when it is alloyed with a radionuclide-like isotopes (174Hf72), the results compare well with the existing experiments on the decay enhancement. These works give further arguments for a cheap solution to remove the transuranic waste (involving all alpha-decay) of used-up rods of fission reactors in a time period of a few years.

Electric double layer electrostatics of pH-responsive spherical polyelectrolyte brushes in the decoupled regime.

PubMed

Li, Hao; Chen, Guang; Das, Siddhartha

2016-11-01

Understanding the behavior and properties of spherical polyelectrolyte brushes (SPEBs), which are polyelectrolyte brushes grafted to a spherical core, is fundamental to many applications in biomedical, chemical and petroleum engineering as well as in pharmaceutics. In this paper, we study the pH-responsive electrostatics of such SPEBs in the decoupled regime. In the first part of the paper, we derive the scaling conditions in terms of the grafting density of the PEs on the spherical core that ensure that the analysis can be performed in the decoupled regime. In such a regime the elastic and the excluded volume effects of polyelectrolyte brushes (PEBs) can be decoupled from the electrostatic effects associated with the PE charge and the induced EDL. As a consequence the PE brush height, assumed to be dictated by the balance of the elastic and excluded volume effects, can be independent of the electrostatic effects. In the second part, we quantify the pH-responsive electrostatics of the SPEBs - we pinpoint that the radial monomer distribution for a given brush molecule exhibit a non-unique cubic distribution that decays away from the spherical core. Such a monomer distribution ensures that the hydrogen ion concentration is appropriately accounted for in the description of the SPEB thermodynamics. We anticipate that the present analysis, which provides possibly one of the first models for probing the electrostatics of pH-responsive SPEBs in a thermodynamically-consistent framework, will be vital for understanding the behavior of a large number of entities ranging from PE-coated NPs and stealth liposomes to biomolecules like bacteria and viruses. Copyright © 2016 Elsevier B.V. All rights reserved.

Surface charge accumulation of particles containing radionuclides in open air.

PubMed

Kim, Yong-Ha; Yiacoumi, Sotira; Tsouris, Costas

2015-05-01

Radioactivity can induce charge accumulation on radioactive particles. However, electrostatic interactions caused by radioactivity are typically neglected in transport modeling of radioactive plumes because it is assumed that ionizing radiation leads to charge neutralization. The assumption that electrostatic interactions caused by radioactivity are negligible is evaluated here by examining charge accumulation and neutralization on particles containing radionuclides in open air. A charge-balance model is employed to predict charge accumulation on radioactive particles. It is shown that particles containing short-lived radionuclides can be charged with multiple elementary charges through radioactive decay. The presence of radioactive particles can significantly modify the particle charge distribution in open air and yield an asymmetric bimodal charge distribution, suggesting that strong electrostatic particle interactions may occur during short- and long-range transport of radioactive particles. Possible effects of transported radioactive particles on electrical properties of the local atmosphere are reported. The study offers insight into transport characteristics of airborne radionuclides. Results are useful in atmospheric transport modeling of radioactive plumes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Mid-latitude Narrowband Stimulated Electromagnetic Emissions (NSEE): New Observations and Modeling

NASA Astrophysics Data System (ADS)

Nossa, E.; Mahmoudian, A.; Isham, B.; Bernhardt, P. A.; Briczinski, S. J., Jr.

2017-12-01

High power electromagnetic waves (EM) transmitted from the ground interact with the local plasma in the ionosphere and can produce Stimulated Electromagnetic Emissions (SEE) through the parametric decay instability (PDI). The classical SEE features known as wideband SEE (WSEE) with frequency offset of 1 kHz up to 100 kHz have been observed and studied in detail in the 1980s and 1990s. A new era of ionospheric remote sensing techniques was begun after the recent update of the HF transmitter at the HAARP. Sideband emissions of unprecedented strength have been reported during recent campaigns at HAARP, reaching up to 10 dB relative to the reflected pump wave which are by far the strongest spectral features of secondary radiation that have been reported. These emissions known as narrowband SEE (NSEE) are shifted by only up to a few tens of Hertz from radio-waves transmitted at several megahertz. One of these new NSEE features are emission lines within 100 Hz of the pump frequency and are produced through magnetized stimulated Brillouin scatter (MSBS) process. Stimulated Brillouin Scatter (SBS) is a strong SEE mode involving a direct parametric decay of the pump wave into an electrostatic wave (ES) and a secondary EM wave that sometimes could be stronger than the HF pump. SBS has been studied in laboratory plasma experiments by the interaction of high power lasers with plasmas. The SBS instability in magnetized ionospheric plasma was observed for the first time at HAARP in 2010. Our recent work at HAARP has shown that MSBS emission lines can be used to asses electron temperature in the heated region, ion mass spectrometry, determine minor ion species and their densities in the ionosphere, study the physics associated with electron acceleration and artificial airglow. Here, we present new observations of narrowband SEE (NSEE) features at the new mid-latitude heating facility at Arecibo. This includes the direct mode conversion of pump wave through MSBS process. Collected data using ground-based SEE receiver, incoherent scatter radar (ISR), ionospgram, as well as satellite observations will be discussed. The different characteristics of parametric decay instabilities in the high and mid-latitude will be compared. Preliminary theoretical and computational modeling of mid-latitude NSEE will be presented.

Electromagnetic radiation from beam-plasma instabilities

NASA Technical Reports Server (NTRS)

Stenzel, R. L.; Whelan, D. A.

1982-01-01

The mechanism by which unstable electrostatic waves of an electron-beam plasma system are converted into observed electromagnetic waves is of great current interest in space plasma physics. Electromagnetic radiation arises from both natural beam-plasma systems, e.g., type III solar bursts and kilometric radiation, and from man-made electron beams injected from rockets and spacecraft. In the present investigation the diagnostic difficulties encountered in space plasmas are overcome by using a large laboratory plasma. A finite diameter (d approximately equal to 0.8 cm) electron beam is injected into a uniform quiescent magnetized afterglow plasma of dimensions large compared with electromagnetic wavelength. Electrostatic waves grow, saturate and decay within the uniform central region of the plasma volume so that linear mode conversion on density gradients can be excluded as a possible generation mechanism for electromagnetic waves.

Electrostatic shock structures in dissipative multi-ion dusty plasmas

NASA Astrophysics Data System (ADS)

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.

Excimer-monomer switch: a reaction-based approach for selective detection of fluoride.

PubMed

Song, Qiao; Bamesberger, Angela; Yang, Lingyun; Houtwed, Haley; Cao, Haishi

2014-07-21

A N-aryl-1,8-naphthalimide based sensor (ES-1) bearing a trimethylsilyl ether has been synthesized by a two-step reaction for quantitative detection of fluoride (F(-)). ES-1 exhibited monomer/excimer emissions at 410 and 524 nm respectively in CH2Cl2. In the presence of F(-), the desilylation of trimethylsilyl ether caused decay of the excimer emission as well as enhancement of the monomer emission to give a ratiometric signal. The fluoride-triggered desilylation showed a high reaction rate and high affinity to F(-) over nine other interfering anions. ES-1 provided a novel fluorescence assay based on excimer-monomer switch of N-aryl-1,8-naphthalimide to quantitatively measure F(-) with a detection limit of 0.133 ppm.

Effects of electrostatic interactions on ligand dissociation kinetics

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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

2015-11-01

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.

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

PubMed

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

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.

Prediction of delivery of organic aerosols onto air-liquid interface cells in vitro using an electrostatic precipitator.

PubMed

Yu, Zechen; Jang, Myoseon; Sabo-Attwood, Tara; Robinson, Sarah E; Jiang, Huanhuan

2017-08-01

To better characterize biological responses to atmospheric organic aerosols, the efficient delivery of aerosol to in vitro lung cells is necessary. In this study, chamber generated secondary organic aerosol (SOA) entered the commercialized exposure chamber (CULTEX® Radial Flow System Compact) where it interfaced with an electrostatic precipitator (ESP) (CULTEX® Electrical Deposition Device) and then deposited on a particle collection plate. This plate contained human lung cells (BEAS-2B) that were cultured on a membrane insert to produce an air-liquid interface (ALI). To augment in vitro assessment using the ESP exposure device, the particle dose was predicted for various sampling parameters such as particle size, ESP deposition voltage, and sampling flowrate. The dose model was evaluated against the experimental measured mass of collected airborne particles. The high flowrate used in this study increased aerosol dose but failed to achieve cell stability. For example, RNA in the ALI BEAS-2B cells in vitro was stable at 0.15L/minute but decayed at high flowrates. The ESP device and the resulting model were applied to in vitro studies (i.e., viability and IL-8 expression) of toluene SOA using ALI BEAS-2B cells with a flowrate of 0.15L/minute, and no cellular RNA decay occurred. Copyright © 2017. Published by Elsevier Ltd.

A 6He production facility and an electrostatic trap for measurement of the beta-neutrino correlation

NASA Astrophysics Data System (ADS)

Mukul, I.; Hass, M.; Heber, O.; Hirsh, T. Y.; Mishnayot, Y.; Rappaport, M. L.; Ron, G.; Shachar, Y.; Vaintraub, S.

2018-08-01

A novel experiment has been commissioned at the Weizmann Institute of Science for the study of weak interactions via a high-precision measurement of the beta-neutrinoangular correlation in the radioactive decay of short-lived 6He. The facility consists of a 14 MeV d + t neutron generator to produce atomic 6He, followed by ionization and bunching in an electron beam ion source, and injection into an electrostatic ion beam trap. This ion trap has been designed for efficient detection of the decay products from trapped light ions. The storage time in the trap for different stable ions was found to be in the range of 0.6 to 1.2 s at the chamber pressure of ∼7 × 10-10 mbar. We present the initial test results of the facility, and also demonstrate an important upgrade of an existing method (Stora et al., 2012) for production of light radioactive atoms, viz. 6He, for the precision measurement. The production rate of 6He atoms in the present setup has been estimated to be ∼ 1 . 45 × 10-4 atoms per neutron, and the system efficiency was found to be 4.0 ± 0.6%. An improvement to this setup is also presented for the enhanced production and diffusion of radioactive atoms for future use.

Nonlinear regime of electrostatic waves propagation in presence of electron-electron collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pezzi, Oreste; Valentini, Francesco; Veltri, Pierluigi

2015-04-15

The effects are presented of including electron-electron collisions in self-consistent Eulerian simulations of electrostatic wave propagation in nonlinear regime. The electron-electron collisions are approximately modeled through the full three-dimensional Dougherty collisional operator [J. P. Dougherty, Phys. Fluids 7, 1788 (1964)]; this allows the elimination of unphysical byproducts due to reduced dimensionality in velocity space. The effects of non-zero collisionality are discussed in the nonlinear regime of the symmetric bump-on-tail instability and in the propagation of the so-called kinetic electrostatic electron nonlinear (KEEN) waves [T. W. Johnston et al., Phys. Plasmas 16, 042105 (2009)]. For both cases, it is shown howmore » collisions work to destroy the phase-space structures created by particle trapping effects and to damp the wave amplitude, as the system returns to the thermal equilibrium. In particular, for the case of the KEEN waves, once collisions have smoothed out the trapped particle population which sustains the KEEN fluctuations, additional oscillations at the Langmuir frequency are observed on the fundamental electric field spectral component, whose amplitude decays in time at the usual collisionless linear Landau damping rate.« less

First results of mapping sporadic E with a passive observing network

NASA Astrophysics Data System (ADS)

Rice, D. D.; Sojka, J. J.; Eccles, J. V.; Raitt, J. W.; Brady, J. J.; Hunsucker, R. D.

2011-12-01

Sporadic E (Es) can have dramatic effects on communications in the HF and low VHF range, producing over-the-horizon propagation for signals normally restricted to line-of-sight, and sometimes blocking F region propagation of signals in the lower HF range. Measuring the E region winds believed to produce Es is difficult, and no practical means of predicting Es occurrence currently exists other than statistical models. We describe a low-cost observing network based on software-controlled receivers that continuously watches for Es in near-real time using oblique HF propagation from existing transmitters. Results from an 11-day pilot campaign in July 2008 demonstrated that even a limited number of receivers in the network can readily determine the presence and extent of Es patches. These observations indicate that Es often develops quickly over regions of several hundred kilometers rather than gradually drifting across an area. These widespread Es “blooms” have been observed near winter solstice and occasionally at other times of the year; their lifetime depends on the season but can be several hours during the summer. The current network allows the extent of Es in portions of North America to be evaluated: the geographical distribution of Es and bounds on the density of the layer are inferred from its effects on the ionospheric maximum usable frequency (MUF). This study demonstrates quantitatively that Es mapping can provide information about Es layer geographical growth and decay. The observed sudden widespread Es blooms are space weather events that can have significant impact on HF/lower VHF communications and propagation model predictions.

Protein Adsorption and Deposition onto Microfiltration Membranes: The Role of Solute-Solid Interactions.

PubMed

Martínez; Martín; Prádanos; Calvo; Palacio; Hernández

2000-01-15

The mass of gamma-globulin fouling an Anodisc alumina membrane with a nominal pore diameter of 0.1 µm has been measured at several concentrations and pHs. This fouling resulted from filtering through the membrane in a continuous recirculation device. The low-concentration fouling can be attributed mainly to adsorption. The complete concentration dependence of fouling mass has been obtained and fitted to a Freundlich heterogeneous isotherm, from which the pH dependence of active fouling sites and energies has been also obtained. Adsorption is studied as a function of the electrostatic forces between the solute and the membrane. A sharp maximum in the adsorbed mass for zero electrostatic force is observed. At high concentrations, accumulation plays a relevant role at alkaline pH, as confirmed by flux decay experiments, retention measurements, and AFM (atomic force microscopy) pictures. Copyright 2000 Academic Press.

Controlled electrostatic methodology for imaging indentations in documents.

PubMed

Yaraskavitch, Luke; Graydon, Matthew; Tanaka, Tobin; Ng, Lay-Keow

2008-05-20

The electrostatic process for imaging indentations on documents using the ESDA device is investigated under controlled experimental settings. An in-house modified commercial xerographic developer housing is used to control the uniformity and volume of toner deposition, allowing for reproducible image development. Along with this novel development tool, an electrostatic voltmeter and fixed environmental conditions facilitate an optimization process. Sample documents are preconditioned in a humidity cabinet with microprocessor control, and the significant benefit of humidification above 70% RH on image quality is verified. Improving on the subjective methods of previous studies, image quality analysis is carried out in an objective and reproducible manner using the PIAS-II. For the seven commercial paper types tested, the optimum ESDA operating point is found to be at an electric potential near -400V at the Mylar surface; however, for most paper types, the optimum operating regime is found to be quite broad, spanning relatively small electric potentials between -200 and -550V. At -400V, the film right above an indented area generally carries a voltage which is 30-50V less negative than the non-indented background. In contrast with Seward's findings [G.H. Seward, Model for electrostatic imaging of forensic evidence via discharge through Mylar-paper path, J. Appl. Phys. 83 (3) (1998) 1450-1456; G.H. Seward, Practical implications of the charge transport model for electrostatic detection apparatus (ESDA), J. Forensic Sci. 44 (4) (1999) 832-836], a period of charge decay before image development is not required when operating in this optimal regime. A brief investigation of the role played by paper-to-paper friction during the indentation process is conducted using our optimized development method.

Values of the phase space factors for double beta decay

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stoica, Sabin, E-mail: stoica@theory.nipne.ro; Mirea, Mihai; Horia Hulubei National Institute of Physics and Nuclear Engineering, 30 Reactorului street, P.O. Box MG6, Magurele

2015-10-28

We report an up-date list of the experimentally most interesting phase space factors for double beta decay (DBD). The electron/positron wave functions are obtained by solving the Dirac equations with a Coulomb potential derived from a realistic proton density distribution in nucleus and with inclusion of the finite nuclear size (FNS) and electron screening (ES) effects. We build up new numerical routines which allow us a good control of the accuracy of calculations. We found several notable differences as compared with previous results reported in literature and possible sources of these discrepancies are discussed.

Theory of type 3b solar radio bursts. [plasma interaction and electron beams

NASA Technical Reports Server (NTRS)

Smith, R. A.; Delanoee, J.

1975-01-01

During the initial space-time evolution of an electron beam injected into the corona, the strong beam-plasma interaction occurs at the head of the beam, leading to the amplification of a quasi-monochromatic large-amplitude plasma wave that stabilizes by trapping the beam particles. Oscillation of the trapped particles in the wave troughs amplifies sideband electrostatic waves. The sidebands and the main wave subsequently decay to observable transverse electromagnetic waves through the parametric decay instability. This process gives rise to the elementary striation bursts. Owing to velocity dispersion in the beam and the density gradient of the corona, the entire process may repeat at a finite number of discrete plasma levels, producing chains of elementary bursts. All the properties of the type IIIb bursts are accounted for in the context of the theory.

Naked Gold Nanoparticles and hot Electrons in Water.

PubMed

Ghandi, Khashayar; Wang, Furong; Landry, Cody; Mostafavi, Mehran

2018-05-08

The ionizing radiation in aqueous solutions of gold nanoparticles, stabilized by electrostatic non-covalent intermolecular forces and steric interactions, with antimicrobial compounds, are investigated with picosecond pulse radiolysis techniques. Upon pulse radiolysis of an aqueous solution containing very low concentrations of gold nanoparticles with naked surfaces available in water (not obstructed by chemical bonds), a change to Cerenkov spectrum over a large range of wavelengths are observed and pre-solvated electrons are captured by gold nanoparticles exclusively (not by ionic liquid surfactants used to stabilize the nanoparticles). The solvated electrons are also found to decay rapidly compared with the decay kinetics in water. These very fast reactions with electrons in water could provide an enhanced oxidizing zone around gold nanoparticles and this could be the reason for radio sensitizing behavior of gold nanoparticles in radiation therapy.

The development, retention and decay rates of strength and power in elite rugby union, rugby league and American football: a systematic review.

PubMed

McMaster, Daniel Travis; Gill, Nicholas; Cronin, John; McGuigan, Michael

2013-05-01

Strength and power are crucial components to excelling in all contact sports; and understanding how a player's strength and power levels fluctuate in response to various resistance training loads is of great interest, as it will inevitably dictate the loading parameters throughout a competitive season. This is a systematic review of training, maintenance and detraining studies, focusing on the development, retention and decay rates of strength and power measures in elite rugby union, rugby league and American football players. A literature search using MEDLINE, EBSCO Host, Google Scholar, IngentaConnect, Ovid LWW, ProQuest Central, ScienceDirect Journals, SPORTDiscus and Wiley InterScience was conducted. References were also identified from other review articles and relevant textbooks. From 300 articles, 27 met the inclusion criteria and were retained for further analysis. STUDY QUALITY: Study quality was assessed via a modified 20-point scale created to evaluate research conducted in athletic-based training environments. The mean ± standard deviation (SD) quality rating of the included studies was 16.2 ± 1.9; the rating system revealed that the quality of future studies can be improved by randomly allocating subjects to training groups, providing greater description and detail of the interventions, and including control groups where possible. Percent change, effect size (ES = [Post-Xmean - Pre-Xmean)/Pre-SD) calculations and SDs were used to assess the magnitude and spread of strength and power changes in the included studies. The studies were grouped according to (1) mean intensity relative volume (IRV = sets × repetitions × intensity; (2) weekly training frequency per muscle group; and (3) detraining duration. IRV is the product of the number of sets, repetitions and intensity performed during a training set and session. The effects of weekly training frequencies were assessed by normalizing the percent change values to represent the weekly changes in strength and power. During the IRV analysis, the percent change values were normalized to represent the percent change per training session. The long-term periodized training effects (12, 24 and 48 months) on strength and power were also investigated. Across the 27 studies (n = 1,015), 234 percent change and 230 ES calculations were performed. IRVs of 11-30 (i.e., 3-6 sets of 4-10 repetitions at 74-88% one-repetition maximum [1RM]) elicited strength and power increases of 0.42% and 0.07% per training session, respectively. The following weekly strength changes were observed for two, three and four training sessions per muscle region/week: 0.9%, 1.8 % and 1.3 %, respectively. Similarly, the weekly power changes for two, three and four training sessions per muscle group/week were 0.1%, 0.3% and 0.7 %, respectively. Mean decreases of 14.5% (ES = -0.64) and 0.4 (ES = -0.10) were observed in strength and power across mean detraining periods of 7.2 ± 5.8 and 7.6 ± 5.1 weeks, respectively. The long-term training studies found strength increases of 7.1 ± 1.0% (ES = 0.55), 8.5 ± 3.3% (ES = 0.81) and 12.5 ± 6.8% (ES = 1.39) over 12, 24 and 48 months, respectively; they also found power increases of 14.6% (ES = 1.30) and 12.2% (ES = 1.06) at 24 and 48 months. Based on current findings, training frequencies of two to four resistance training sessions per muscle group/week can be prescribed to develop upper and lower body strength and power. IRVs ranging from 11 to 30 (i.e., 3-6 sets of 4-10 repetitions of 70-88% 1RM) can be prescribed in a periodized manner to retain power and develop strength in the upper and lower body. Strength levels can be maintained for up to 3 weeks of detraining, but decay rates will increase thereafter (i.e. 5-16 weeks). The effect of explosive-ballistic training and detraining on pure power development and decay in elite rugby and American football players remain inconclusive. The long-term effects of periodized resistance training programmes on strength and power seem to follow the law of diminishing returns, as training exposure increases beyond 12-24 months, adaptation rates are reduced.

Immobilization of heavy metals in electroplating sludge by biochar and iron sulfide.

PubMed

Lyu, Honghong; Gong, Yanyan; Tang, Jingcshun; Huang, Yao; Wang, Qilin

2016-07-01

Electroplating sludge (ES) containing large quantities of heavy metals is regarded as a hazardous waste in China. This paper introduced a simple method of treating ES using environmentally friendly fixatives biochar (BC) and iron sulfide (FeS), respectively. After 3 days of treatment with FeS at a FeS-to-ES mass ratio of 1:5, the toxicity characteristic leaching procedure (TCLP)-based leachability of total Cr (TCr), Cu(II), Ni(II), Pb(II), and Zn(II) was decreased by 59.6, 100, 63.8, 73.5, and 90.5 %, respectively. After 5 days of treatment with BC at a BC-to-ES mass ratio of 1:2, the TCLP-based leachability was declined by 35.1, 30.6, 22.3, 23.1, and 22.4 %, respectively. Pseudo first-order kinetic model adequately simulated the sorption kinetic data. Structure and morphology analysis showed that adsorption, electrostatic attraction, surface complexation, and chemical precipitation were dominant mechanisms for heavy metals immobilization by BC, and that chemical precipitation (formation of metal sulfide and hydroxide precipitates), iron exchange (formation of CuFeS2), and surface complexation were mainly responsible for heavy metals removal by FeS. Economic costs of BC and FeS were 500 and 768 CNY/t, lower than that of Na2S (940 CNY/t). The results suggest that BC and FeS are effective, economic, and environmentally friendly fixatives for immobilization of heavy metals in ES before landfill disposal.

Development of Charge to Mass Ratio Microdetector for Future Mars Mission

NASA Technical Reports Server (NTRS)

Chen, Yuan-Lian Albert

2003-01-01

The Mars environment comprises a dry, cold and low air pressure atmosphere with low gravity (0.38g) and high resistivity soil. The global dust storms that cover a large portion of Mars are observed often from Earth. This environment provides an ideal condition for turboelectric charging. The extremely dry conditions on the Martian surface have raised concerns that electrostatic charge buildup will not be dissipated easily. If turboelectrically generated charge cannot be dissipated or avoided, then dust will accumulate on charged surfaces and electrostatic discharge may cause hazards for future exploration missions. The low surface on Mars helps to prolong the charge decay on the dust particles and soil. To better understanding the physics of Martian charged dust particles is essential to future Mars missions. We research and design two sensors, velocity/charge sensor and PZT momentum sensors, to measure the velocity distribution, charge distribution and mass distribution of Martian wed dust particles. These sensors are fabricated at NASA Kenney Space Center, Electrostatic and Surface Physics Laboratory. The sensors are calibrated. The momentum sensor is capable to measure 45 pan size particles. The designed detector is very simple, robust, without moving parts, and does not require a high voltage power supply. Two sensors are combined to form the Dust Microdetector - CHAL.

Photometric Follow-up Transit (Primary Eclipse) Observations of WASP-43 b and TrES-3b and A Study on Their Transit Timing Variations

NASA Astrophysics Data System (ADS)

Zhao, Sun; Jiang-hui, Ji; Yao, Dong

2018-01-01

Two photometric follow-up transit (primary eclipse) observations on WASP-43 b and four observations on TrES-3 b are performed using the Xuyi Near-Earth Object Survey Telescope. After differential photometry and light curve analysis, the physical parameters of the two systems are obtained and are in good match with the literature. Combining with transit data from a lot of literature, the residuals (O - C) of transit observations of both systems are fitted with the linear and quadratic functions. With the linear fitting, the periods and transit timing variations (TTVs) of the planets are obtained, and no obvious periodic TTV signal is found in both systems after an analysis. The maximum mass of a perturbing planet located at the 1:2 mean motion resonance (MMR) for WASP-43 b and TrES-3 b is estimated to be 1.826 and 1.504 Earth mass, respectively. By quadratic fitting, it is confirmed that WASP-43 b may have a long-term TTV which means an orbital decay. The decay rate is shown to be Ṗ = (-0.005248 ± 0.001714) s·yr-1, and compared with the previous results. Based on this, the lower limit of the stellar tidal quality parameter of WASP-43 is calculated to be Q‧* ≥ 1.5 × 105 , and the remaining lifetimes of the planets are presented for the different Q‧* values of the two systems, correspondingly.

Radon monitor wins Healthy House Award

DOE Office of Scientific and Technical Information (OSTI.GOV)

du Pont, P.

The winning entry was a system for measuring radon gas in homes. The system, called E-Perm and manufactured by Rad-Elec, Inc. of Germantown, MD, uses a replaceable electret detector, rather than charcoal, to sense the decay of radon. The electret is a Teflon disk about 1.5 inches in diameter that is seated in a canister 3 inches in diameter and 2.5 inches high. In the absence of any outside influences, the electret maintains a constant voltage, making it a type of electrostatic battery. After entering the canister, radon gas decays, giving off high-energy positive ions called alpha particles. The alphamore » particles dissipate their energy within a couple of centimeters of air and produce electrons as they knock into air molecules. The E-Perm system measures the presence of these electrons as a changes in the voltage potential across the electret.« less

Thermoelectric detection and imaging of propagating graphene plasmons.

PubMed

Lundeberg, Mark B; Gao, Yuanda; Woessner, Achim; Tan, Cheng; Alonso-González, Pablo; Watanabe, Kenji; Taniguchi, Takashi; Hone, James; Hillenbrand, Rainer; Koppens, Frank H L

2017-02-01

Controlling, detecting and generating propagating plasmons by all-electrical means is at the heart of on-chip nano-optical processing. Graphene carries long-lived plasmons that are extremely confined and controllable by electrostatic fields; however, electrical detection of propagating plasmons in graphene has not yet been realized. Here, we present an all-graphene mid-infrared plasmon detector operating at room temperature, where a single graphene sheet serves simultaneously as the plasmonic medium and detector. Rather than achieving detection via added optoelectronic materials, as is typically done in other plasmonic systems, our device converts the natural decay product of the plasmon-electronic heat-directly into a voltage through the thermoelectric effect. We employ two local gates to fully tune the thermoelectric and plasmonic behaviour of the graphene. High-resolution real-space photocurrent maps are used to investigate the plasmon propagation and interference, decay, thermal diffusion, and thermoelectric generation.

Understanding electrostatic charge behaviour in aircraft fuel systems

NASA Astrophysics Data System (ADS)

Ogilvy, Jill A.; Hooker, Phil; Bennett, Darrell

2015-10-01

This paper presents work on the simulation of electrostatic charge build-up and decay in aircraft fuel systems. A model (EC-Flow) has been developed by BAE Systems under contract to Airbus, to allow the user to assess the effects of changes in design or in refuel conditions. Some of the principles behind the model are outlined. The model allows for a range of system components, including metallic and non-metallic pipes, valves, filters, junctions, bends and orifices. A purpose-built experimental rig was built at the Health and Safety Laboratory in Buxton, UK, to provide comparison data. The rig comprises a fuel delivery system, a test section where different components may be introduced into the system, and a Faraday Pail for measuring generated charge. Diagnostics include wall currents, charge densities and pressure losses. This paper shows sample results from the fitting of model predictions to measurement data and shows how analysis may be used to explain some of the observed trends.

First Demonstration of Electrostatic Damping of Parametric Instability at Advanced LIGO

NASA Astrophysics Data System (ADS)

Blair, Carl; Gras, Slawek; Abbott, Richard; Aston, Stuart; Betzwieser, Joseph; Blair, David; DeRosa, Ryan; Evans, Matthew; Frolov, Valera; Fritschel, Peter; Grote, Hartmut; Hardwick, Terra; Liu, Jian; Lormand, Marc; Miller, John; Mullavey, Adam; O'Reilly, Brian; Zhao, Chunnong; Abbott, B. P.; Abbott, T. D.; Adams, C.; Adhikari, R. X.; Anderson, S. B.; Ananyeva, A.; Appert, S.; Arai, K.; Ballmer, S. W.; Barker, D.; Barr, B.; Barsotti, L.; Bartlett, J.; Bartos, I.; Batch, J. C.; Bell, A. S.; Billingsley, G.; Birch, J.; Biscans, S.; Biwer, C.; Bork, R.; Brooks, A. F.; Ciani, G.; Clara, F.; Countryman, S. T.; Cowart, M. J.; Coyne, D. C.; Cumming, A.; Cunningham, L.; Danzmann, K.; Da Silva Costa, C. F.; Daw, E. J.; DeBra, D.; DeSalvo, R.; Dooley, K. L.; Doravari, S.; Driggers, J. C.; Dwyer, S. E.; Effler, A.; Etzel, T.; Evans, T. M.; Factourovich, M.; Fair, H.; Fernández Galiana, A.; Fisher, R. P.; Fulda, P.; Fyffe, M.; Giaime, J. A.; Giardina, K. D.; Goetz, E.; Goetz, R.; Gray, C.; Gushwa, K. E.; Gustafson, E. K.; Gustafson, R.; Hall, E. D.; Hammond, G.; Hanks, J.; Hanson, J.; Harry, G. M.; Heintze, M. C.; Heptonstall, A. W.; Hough, J.; Izumi, K.; Jones, R.; Kandhasamy, S.; Karki, S.; Kasprzack, M.; Kaufer, S.; Kawabe, K.; Kijbunchoo, N.; King, E. J.; King, P. J.; Kissel, J. S.; Korth, W. Z.; Kuehn, G.; Landry, M.; Lantz, B.; Lockerbie, N. A.; Lundgren, A. P.; MacInnis, M.; Macleod, D. M.; Márka, S.; Márka, Z.; Markosyan, A. S.; Maros, E.; Martin, I. W.; Martynov, D. V.; Mason, K.; Massinger, T. J.; Matichard, F.; Mavalvala, N.; McCarthy, R.; McClelland, D. E.; McCormick, S.; McIntyre, G.; McIver, J.; Mendell, G.; Merilh, E. L.; Meyers, P. M.; Mittleman, R.; Moreno, G.; Mueller, G.; Munch, J.; Nuttall, L. K.; Oberling, J.; Oppermann, P.; Oram, Richard J.; Ottaway, D. J.; Overmier, H.; Palamos, J. R.; Paris, H. R.; Parker, W.; Pele, A.; Penn, S.; Phelps, M.; Pierro, V.; Pinto, I.; Principe, M.; Prokhorov, L. G.; Puncken, O.; Quetschke, V.; Quintero, E. A.; Raab, F. J.; Radkins, H.; Raffai, P.; Reid, S.; Reitze, D. H.; Robertson, N. A.; Rollins, J. G.; Roma, V. J.; Romie, J. H.; Rowan, S.; Ryan, K.; Sadecki, T.; Sanchez, E. J.; Sandberg, V.; Savage, R. L.; Schofield, R. M. S.; Sellers, D.; Shaddock, D. A.; Shaffer, T. J.; Shapiro, B.; Shawhan, P.; Shoemaker, D. H.; Sigg, D.; Slagmolen, B. J. J.; Smith, B.; Smith, J. R.; Sorazu, B.; Staley, A.; Strain, K. A.; Tanner, D. B.; Taylor, R.; Thomas, M.; Thomas, P.; Thorne, K. A.; Thrane, E.; Torrie, C. I.; Traylor, G.; Vajente, G.; Valdes, G.; van Veggel, A. A.; Vecchio, A.; Veitch, P. J.; Venkateswara, K.; Vo, T.; Vorvick, C.; Walker, M.; Ward, R. L.; Warner, J.; Weaver, B.; Weiss, R.; Weßels, P.; Willke, B.; Wipf, C. C.; Worden, J.; Wu, G.; Yamamoto, H.; Yancey, C. C.; Yu, Hang; Yu, Haocun; Zhang, L.; Zucker, M. E.; Zweizig, J.; LSC Instrument Authors

2017-04-01

Interferometric gravitational wave detectors operate with high optical power in their arms in order to achieve high shot-noise limited strain sensitivity. A significant limitation to increasing the optical power is the phenomenon of three-mode parametric instabilities, in which the laser field in the arm cavities is scattered into higher-order optical modes by acoustic modes of the cavity mirrors. The optical modes can further drive the acoustic modes via radiation pressure, potentially producing an exponential buildup. One proposed technique to stabilize parametric instability is active damping of acoustic modes. We report here the first demonstration of damping a parametrically unstable mode using active feedback forces on the cavity mirror. A 15 538 Hz mode that grew exponentially with a time constant of 182 sec was damped using electrostatic actuation, with a resulting decay time constant of 23 sec. An average control force of 0.03 nN was required to maintain the acoustic mode at its minimum amplitude.

Systematic study of magnetar outbursts

NASA Astrophysics Data System (ADS)

Coti Zelati, F.; Rea, N.; Pons, J. A.; Campana, S.; Esposito, P.

2017-12-01

We present the results of the systematic study of all magnetar outbursts observed to date through a reanalysis of data acquired in about 1100 X-ray observations. We track the temporal evolution of the luminosity for all these events, model empirically their decays, and estimate the characteristic decay time-scales and the energy involved. We study the link between different parameters (maximum luminosity increase, outburst peak luminosities, quiescent X-ray and bolometric luminosities, energetics, decay time-scales, magnetic field, spin-down luminosity and age), and reveal several correlations between different quantities. We discuss our results in the framework of the models proposed to explain the triggering mechanism and evolution of magnetar outbursts. The study is complemented by the Magnetar Outburst Online Catalog (http://www.magnetars.ice.csic.es), an interactive database where the user can plot any combination of the parameters derived in this work and download all reduced data.

Automated Training of ReaxFF Reactive Force Fields for Energetics of Enzymatic Reactions.

PubMed

Trnka, Tomáš; Tvaroška, Igor; Koča, Jaroslav

2018-01-09

Computational studies of the reaction mechanisms of various enzymes are nowadays based almost exclusively on hybrid QM/MM models. Unfortunately, the success of this approach strongly depends on the selection of the QM region, and computational cost is a crucial limiting factor. An interesting alternative is offered by empirical reactive molecular force fields, especially the ReaxFF potential developed by van Duin and co-workers. However, even though an initial parametrization of ReaxFF for biomolecules already exists, it does not provide the desired level of accuracy. We have conducted a thorough refitting of the ReaxFF force field to improve the description of reaction energetics. To minimize the human effort required, we propose a fully automated approach to generate an extensive training set comprised of thousands of different geometries and molecular fragments starting from a few model molecules. Electrostatic parameters were optimized with QM electrostatic potentials as the main target quantity, avoiding excessive dependence on the choice of reference atomic charges and improving robustness and transferability. The remaining force field parameters were optimized using the VD-CMA-ES variant of the CMA-ES optimization algorithm. This method is able to optimize hundreds of parameters simultaneously with unprecedented speed and reliability. The resulting force field was validated on a real enzymatic system, ppGalNAcT2 glycosyltransferase. The new force field offers excellent qualitative agreement with the reference QM/MM reaction energy profile, matches the relative energies of intermediate and product minima almost exactly, and reduces the overestimation of transition state energies by 27-48% compared with the previous parametrization.

Electrospinning for nano- to mesoscale photonic structures

NASA Astrophysics Data System (ADS)

Skinner, Jack L.; Andriolo, Jessica M.; Murphy, John P.; Ross, Brandon M.

2017-08-01

The fabrication of photonic and electronic structures and devices has directed the manufacturing industry for the last 50 years. Currently, the majority of small-scale photonic devices are created by traditional microfabrication techniques that create features by processes such as lithography and electron or ion beam direct writing. Microfabrication techniques are often expensive and slow. In contrast, the use of electrospinning (ES) in the fabrication of micro- and nano-scale devices for the manipulation of photons and electrons provides a relatively simple and economic viable alternative. ES involves the delivery of a polymer solution to a capillary held at a high voltage relative to the fiber deposition surface. Electrostatic force developed between the collection plate and the polymer promotes fiber deposition onto the collection plate. Issues with ES fabrication exist primarily due to an instability region that exists between the capillary and collection plate and is characterized by chaotic motion of the depositing polymer fiber. Material limitations to ES also exist; not all polymers of interest are amenable to the ES process due to process dependencies on molecular weight and chain entanglement or incompatibility with other polymers and overall process compatibility. Passive and active electronic and photonic fibers fabricated through the ES have great potential for use in light generation and collection in optical and electronic structures/devices. ES produces fiber devices that can be combined with inorganic, metallic, biological, or organic materials for novel device design. Synergistic material selection and post-processing techniques are also utilized for broad-ranging applications of organic nanofibers that span from biological to electronic, photovoltaic, or photonic. As the ability to electrospin optically and/or electronically active materials in a controlled manner continues to improve, the complexity and diversity of devices fabricated from this process can be expected to grow rapidly and provide an alternative to traditional resource-intensive fabrication techniques.

Final scientific and technical report: New experiments to measure the neutrino mass scale

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monreal, Benjamin

In this work, we made material progress towards future measurements of the mass of the neutrino. The neutrino is a fundamental particle, first observed in the 1950s and subjected to particularly intense study over the past 20 years. It is now known to have some, non-zero mass, but we are in an unusual situation of knowing the mass exists but not knowing what value it takes. The mass may be determined by precise measurements of certain radioactive decay distributions, particularly the beta decay of tritium. The KATRIN experiment is an international project which is nearing the beginning of a tritiummore » measurement campaign using a large electrostatic spectrumeter. This research included participation in KATRIN, including construction and delivery of a key calibration subsystem, the ``Rear Section''. To obtain sensitivity beyond KATRIN's, new techniques are required; this work included R&D on a new technique we call CRES (Cyclotron Resonance Electron Spectroscopy) which has promise to enable even more sensitive tritium decay measurements. We successfully carried out CRES spectroscopy in a model system in 2014, making an important step towards the design of a next-generation tritium experiment with new neutrino mass measurement abilities.« less

A tritium activity monitor for the KATRIN Experiment

NASA Astrophysics Data System (ADS)

Schmitt, Udo

2008-06-01

The KArlsruhe TRItium Neutrino experiment KATRIN is designed to measure the absolute neutrino mass scale by analyzing the endpoint region of the tritium beta-decay spectrum with a sensitivity of 0.2 eV/c2 (90 % C.L.). A high-luminous windowless gaseous tritium source with an activity of 1.7 · 1011 Bq will produce the decay electrons, their energy spectrum will be analyzed by a combination of two electrostatic retarding spectrometers with magnetic adiabatic collimation (MAC-E-filter). Fluctuations of the source column density and inelastic scattering processes within the source affect the energy distribution of the decay electrons. Hence, a precise and continuous monitoring of the source activity is necessary to correct the data taken by the main detector. A prototype of the beam monitor detector, based on a silicon drift diode, has been developed to measure an expected counting rate in the range of 106/(s · mm2). The detector element shall be moveable across the complete beam in a magnetic field of 0.8 T, resulting in a beam diameter of 20 cm. A precise sensor positioning device has been designed and built to be compatible with the primary beamline vacuum of 10-11 mbar.

Chlorine decay and bacterial inactivation kinetics in drinking water in the tropics.

PubMed

Thøgersen, J; Dahi, E

1996-09-01

The decay of free chlorine (Cl2) and combined chlorine (mostly monochloramine: NH2Cl) and the inactivation of bacteria was examined in Dar es Salaam, Tanzania. Batch experiments, pilot-scale pipe experiments and full-scale pipe experiments were carried out to establish the kinetics for both decay and inactivation, and to compare the two disinfectants for use under tropical conditions. The decay of both disinfectants closely followed first order kinetics, with respect to the concentration of both disinfectant and disinfectant-consuming substances. Bacterial densities exhibited a kinetic pattern consisting of first order inactivation with respect to the density of the bacteria and the concentration of the disinfectant, and first order growth with respect to the bacterial density. The disinfection kinetic model takes the decaying concentration of the disinfectant into account. The decay rate constant for free chlorine was 114 lg(-1)h(-1), while the decay rate constant for combined chlorine was 1.84 lg(-1)h(-1) (1.6% of the decay rate for free chlorine). The average concentration of disinfectant consuming substances in the water phase was 2.6 mg Cl2/l for free chlorine and 5.6 mg NH2Cl/l for combined chlorine. The decay rate constant and the concentration of disinfectant consuming substances when water was pumped through pipes, depended on whether or not chlorination was continuous. Combined chlorine especially could clean the pipes of disinfectant consuming substances. The inactivation rate constant λ, was estimated at 3.06×10(4) lg(-1)h(-1). Based on the inactivation rate constant, and a growth rate constant determined in a previous study, the critical concentration of free chlorine was found to be 0.08 mg Cl2/l. The critical concentration is a value below which growth rates dominate over inactivation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heinemann, Thomas, E-mail: thomas.heinemann@tu-berlin.de; Klapp, Sabine H. L., E-mail: klapp@physik.tu-berlin.de; Palczynski, Karol, E-mail: karol.palczynski@helmholtz-berlin.de

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 chargesmore » 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.« less

Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ivanov, Maxim V.; Talipov, Marat R.; Timerghazin, Qadir K., E-mail: qadir.timerghazin@marquette.edu

2015-10-07

Atom-centered point charge (PC) model of the molecular electrostatics—a major workhorse of the atomistic biomolecular simulations—is usually parameterized by least-squares (LS) fitting of the point charge values to a reference electrostatic potential, a procedure that suffers from numerical instabilities due to the ill-conditioned nature of the LS problem. To reveal the origins of this ill-conditioning, we start with a general treatment of the point charge fitting problem as an inverse problem and construct an analytical model with the point charges spherically arranged according to Lebedev quadrature which is naturally suited for the inverse electrostatic problem. This analytical model is contrastedmore » to the atom-centered point-charge model that can be viewed as an irregular quadrature poorly suited for the problem. This analysis shows that the numerical problems of the point charge fitting are due to the decay of the curvatures corresponding to the eigenvectors of LS sum Hessian matrix. In part, this ill-conditioning is intrinsic to the problem and is related to decreasing electrostatic contribution of the higher multipole moments, that are, in the case of Lebedev grid model, directly associated with the Hessian eigenvectors. For the atom-centered model, this association breaks down beyond the first few eigenvectors related to the high-curvature monopole and dipole terms; this leads to even wider spread-out of the Hessian curvature values. Using these insights, it is possible to alleviate the ill-conditioning of the LS point-charge fitting without introducing external restraints and/or constraints. Also, as the analytical Lebedev grid PC model proposed here can reproduce multipole moments up to a given rank, it may provide a promising alternative to including explicit multipole terms in a force field.« less

Spray combustion at normal and reduced gravity in counterflow and co-flow configurations

NASA Technical Reports Server (NTRS)

Gomez, Alessandro; Chen, Gung

1995-01-01

Liquid fuel dispersion in practical systems is typically achieved by spraying the fuel into a polydisperse distribution of droplets evaporating and burning in a turbulent gaseous environment In view of the nearly insurmountable difficulties of this two-phase flow, a systematic study of spray evaporation and burning in configurations of gradually increasing levels of complexity, starting from laminar sprays to fully turbulent ones, would be useful. A few years ago we proposed to use an electrostatic spray of charged droplets for this type of combustion experiments under well-defined conditions. In the simplest configuration, a liquid is fed into a small metal tube maintained at several kilovolts relative to a ground electrode few centimeters away. Under the action of the electric field, the liquid meniscus at the outlet of the capillary takes a conical shape, with a thin jet emerging from the cone tip (cone-jet mode). This jet breaks up farther downstream into a spray of charged droplets - the so-called ElectroSpray (ES). Several advantages distinguish the electrospray from alternative atomization techniques: (1) it can produce quasi-monodisperse droplets over a phenomenal size range; (2) the atomization, that is strictly electrostatic, is decoupled from gas flow processes, which provides some flexibility in the selection and control of the experimental conditions; (3) the Coulombic repulsion of homopolarly charged droplets induces spray self-dispersion and prevents droplet coalescence; (4) the ES provides the opportunity of studying regimes of slip between droplets and host gas without compromising the control of the spray properties; and (5) the compactness and potential controllability of this spray generation system makes it appealing for studies in reduced-gravity environments aimed at isolating the spray behavior from natural convection complications. With these premises, in March 1991 we initiated a series of experiments under NASA sponsorship (NAG3-1259 and 1688) in which the ES was used as a research tool to examine spray combustion in counter-flow and co-flow spray diffusion flames, as summarized below. The ultimate objective of this investigation is to examine the formation and burning of sprays of liquid fuels, at both normal and reduced gravity, first in laminar regimes and then in turbulent ones.

Mechanical Removal and Rescreening of Local Screening Charges on Ferroelectric Surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tong, Sheng; Park, Woon Ik; Choi, YoonYoung

2015-01-20

We report the kinetics of screening charge removal and rescreening on periodically poled lithium niobate using charge-gradient microscopy and electrostatic force microscopy (EFM). A minimum pressure needs to be applied to initiate mechanical screening charge removal, and increasing the pressure leads to further removal of charge until a threshold is reached when all screening charges are removed. We fit all rescreening EFM contrast curves under various pressures into a universal exponential decay. The findings imply that we can control the screening degree of ferroelectric surfaces by mechanical means without affecting the polarization underneath.

Mechanical Removal and Rescreening of Local Screening Charges at Ferroelectric Surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tong, Sheng; Park, Woon Ik; Choi, Yoon-Young

2015-01-20

In this paper, we report the kinetics of screening charge removal and rescreening on periodically poled lithium niobate using charge-gradient microscopy and electrostatic force microscopy (EFM). A minimum pressure needs to be applied to initiate mechanical screening charge removal, and increasing the pressure leads to further removal of charge until a threshold is reached when all screening charges are removed. We fit all rescreening EFM contrast curves under various pressures into a universal exponential decay. Finally, the findings imply that we can control the screening degree of ferroelectric surfaces by mechanical means without affecting the polarization underneath.

Adiabatic description of long range frequency sweeping

NASA Astrophysics Data System (ADS)

Breizman, Boris; Nyqvist, Robert; Lilley, Matthew

2012-10-01

A theoretical framework is developed to describe long range frequency sweeping events in the 1D electrostatic bump-on-tail model with fast particle sources and collisions. The model includes three collision operators (Krook, drag (dynamical friction) and velocity space diffusion), and allows for a general shape of the fast particle distribution function. The behavior of phase space holes and clumps is analyzed, and the effect of particle trapping due to separatrix expansion is discussed. With a fast particle distribution function whose slope decays above the resonant phase velocity, hooked frequency sweeping is found for holes in the presence of drag collisions alone.

Ferrocene adsorbed into the porous octakis(hydridodimethylsiloxy)silsesquioxane after thermolysis in tetrahydrofuran media: An applied surface for ascorbic acid determination

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ribeiro do Carmo, Devaney, E-mail: docarmo@dfq.feis.unesp.br; Lataro Paim, Leonardo; Ramos Stradiotto, Nelson

Highlights: Black-Right-Pointing-Pointer Octakis(hydridodimethylsiloxi)silsesquioxane was synthesized and Ferrocene was adsorbed. Black-Right-Pointing-Pointer Polymeric net through electrostatic interactions was observed. Black-Right-Pointing-Pointer The novel materials presents electroacatalytic activity for Ascorbic acid. -- Abstract: Octakis(hydridodimethylsiloxi)silsesquioxane (Q{sub 8}M{sub 8}{sup H}) was synthesized and Ferrocene was adsorbed in a polymeric net through electrostatic interactions, with anion forming after the cleavage of any siloxy groups (ESFc). The nanostructured materials (Q{sub 8}M{sub 8}{sup H} and EsFc) were characterized by Fourier transform infrared spectra (FT-IR), nuclear magnetic resonance (NMR), X-ray diffraction (XRD), Thermogravimetric analyses and Voltammetric technique The cyclic voltammograms of the graphite paste electrode modified with ESFc showed onemore » redox couple with E{sup 0} Prime = 0.320 V (1.0 mol L{sup -1} NaCl, v = 50 mV s{sup -1}), with a diffusion-controlled process and the redox process shows electrocatalytic activity for the oxidation of ascorbic acid.« less

The Electrostatic Screening Length in Concentrated Electrolytes Increases with Concentration.

PubMed

Smith, Alexander M; Lee, Alpha A; Perkin, Susan

2016-06-16

According to classical electrolyte theories interactions in dilute (low ion density) electrolytes decay exponentially with distance, with the Debye screening length the characteristic length scale. This decay length decreases monotonically with increasing ion concentration due to effective screening of charges over short distances. Thus, within the Debye model no long-range forces are expected in concentrated electrolytes. Here we reveal, using experimental detection of the interaction between two planar charged surfaces across a wide range of electrolytes, that beyond the dilute (Debye-Hückel) regime the screening length increases with increasing concentration. The screening lengths for all electrolytes studied-including aqueous NaCl solutions, ionic liquids diluted with propylene carbonate, and pure ionic liquids-collapse onto a single curve when scaled by the dielectric constant. This nonmonotonic variation of the screening length with concentration, and its generality across ionic liquids and aqueous salt solutions, demonstrates an important characteristic of concentrated electrolytes of substantial relevance from biology to energy storage.

Determining the neutrino mass with cyclotron radiation emission spectroscopy—Project 8

NASA Astrophysics Data System (ADS)

Ashtari Esfahani, Ali; Asner, David M.; Böser, Sebastian; Cervantes, Raphael; Claessens, Christine; de Viveiros, Luiz; Doe, Peter J.; Doeleman, Shepard; Fernandes, Justin L.; Fertl, Martin; Finn, Erin C.; Formaggio, Joseph A.; Furse, Daniel; Guigue, Mathieu; Heeger, Karsten M.; Jones, A. Mark; Kazkaz, Kareem; Kofron, Jared A.; Lamb, Callum; LaRoque, Benjamin H.; Machado, Eric; McBride, Elizabeth L.; Miller, Michael L.; Monreal, Benjamin; Mohanmurthy, Prajwal; Nikkel, James A.; Oblath, Noah S.; Pettus, Walter C.; Hamish Robertson, R. G.; Rosenberg, Leslie J.; Rybka, Gray; Rysewyk, Devyn; Saldaña, Luis; Slocum, Penny L.; Sternberg, Matthew G.; Tedeschi, Jonathan R.; Thümmler, Thomas; VanDevender, Brent A.; E Vertatschitsch, Laura; Wachtendonk, Megan; Weintroub, Jonathan; Woods, Natasha L.; Young, André; Zayas, Evan M.

2017-05-01

The most sensitive direct method to establish the absolute neutrino mass is observation of the endpoint of the tritium beta-decay spectrum. Cyclotron radiation emission spectroscopy (CRES) is a precision spectrographic technique that can probe much of the unexplored neutrino mass range with { O }({eV}) resolution. A lower bound of m({ν }e)≳ 9(0.1) {meV} is set by observations of neutrino oscillations, while the KATRIN experiment—the current-generation tritium beta-decay experiment that is based on magnetic adiabatic collimation with an electrostatic (MAC-E) filter—will achieve a sensitivity of m({ν }e)≲ 0.2 {eV}. The CRES technique aims to avoid the difficulties in scaling up a MAC-E filter-based experiment to achieve a lower mass sensitivity. In this paper we review the current status of the CRES technique and describe Project 8, a phased absolute neutrino mass experiment that has the potential to reach sensitivities down to m({ν }e)≲ 40 {meV} using an atomic tritium source.

Instrumentation and Methodology Development for Mars Mission

NASA Technical Reports Server (NTRS)

Chen, Yuan-Liang Albert

2002-01-01

The Mars environment comprises a dry, cold and low air pressure atmosphere with low gravity (0.38g) and high resistivity soil. The global dust storms that cover a large portion of Mars were observed often from Earth. This environment provides an idea condition for triboelectric charging. The extremely dry conditions on the Martian surface have raised concerns that electrostatic charge buildup will not be dissipated easily. If triboelectrically generated charge cannot be dissipated or avoided, then dust will accumulate on charged surfaces and electrostatic discharge may cause hazards for future exploration missions. The low surface temperature on Mars helps to prolong the charge decay on the dust particles and soil. To better understand the physics of Martian charged dust particles is essential to future Mars missions. We research and design two sensors, velocity/charge sensor and PZT momentum sensors, to detect the velocity distribution, charge distribution and mass distribution of Martian charged dust particles. These sensors are fabricated at NASA Kenney Space Center, Electromagnetic Physics Testbed. The sensors will be tested and calibrated for simulated Mars atmosphere condition with JSC MARS-1 Martian Regolith simulant in this NASA laboratory.

Measurement of intercolumnar forces between parallel guanosine four-stranded helices.

PubMed Central

Mariani, P; Saturni, L

1996-01-01

The deoxyguanosine-5'-monophosphate in aqueous solution self-associates into stable structures, which include hexagonal and cholesteric columnar phases. The structural unit is a four-stranded helix, composed of a stacked array of Hoogsteen-bonded guanosine quartets. We have measured by osmotic stress method the force per unit length versus interaxial distance between helices in the hexagonal phase under various ionic conditions. Two contributions have been recognized: the first one is purely electrostatic, is effective at large distances, and shows a strong dependence on the salt concentration of the solution. The second contribution is short range, dominates at interaxial separations smaller than about 30-32 A, and rises steeply as the columns approach each other, preventing the coalescence of the helices. This repulsion has an exponential nature and shows a magnitude and a decay length insensitive to the ionic strength of the medium. Because these features are distinctive of the hydration force detected between phospholipid bilayers or between several linear macromolecules (DNA, polysaccharides, collagen), we conclude that the dominant force experienced by deoxyguanosine helices approaching contact is hydration repulsion. The observed decay length of about 0.7 A has been rationalized to emerge from the coupling between the 3-A decay length of water solvent and the helically ordered structure of the hydrophilic groups on the opposing surfaces. The present results agree with recent measurements, also showing the dependence of the hydration force decay on the structure of interacting surfaces and confirm the correlations between force and structure. Images FIGURE 1 PMID:8744324

Modelling of Time-Variant Flows Using Vortex Dynamics.

DTIC Science & Technology

1987-02-01

eopennage.... ) avec nappes enroul~es et d~ chir ~cs. REFERENCES Ji .T. BEALE, A. MAJDA "Nigh order accurate vortex methods with explicit velocity kernel...discrete vortices. Two papers, Longuet- Higgins (37) and Smith and Stansby (38) deal with the problem. In (37) conformal transformation is used for the...Longuet- Higgins (37). Most experiments on separated flows undoubtedly contain three-dimensional effects and again vortex decay is occasionally put into the

Correlation potential of a test ion near a strongly charged plate.

PubMed

Lu, Bing-Sui; Xing, Xiangjun

2014-03-01

We analytically calculate the correlation potential of a test ion near a strongly charged plate inside a dilute m:-n electrolyte. We do this by calculating the electrostatic Green's function in the presence of a nonlinear background potential, the latter having been obtained using the nonlinear Poisson-Boltzmann theory. We consider the general case where the dielectric constants of the plate and the electrolyte are distinct. The following generic results emerge from our analyses: (1) If the distance to the plate Δz is much larger than a Gouy-Chapman length, the plate surface will behave effectively as an infinitely charged surface, and the dielectric constant of the plate effectively plays no role. (2) If Δz is larger than a Gouy-Chapman length but shorter than a Debye length, the correlation potential can be interpreted in terms of an image charge that is three times larger than the source charge. This behavior is independent of the valences of the ions. (3) The Green's function vanishes inside the plate if the surface charge density is infinitely large; hence the electrostatic potential is constant there. In this respect, a strongly charged plate behaves like a conductor plate. (4) If Δz is smaller than a Gouy-Chapman length, the correlation potential is dominated by the conventional image charge due to the dielectric discontinuity at the interface. (5) If Δz is larger than a Debye length, the leading order behavior of the correlation potential will depend on the valences of the ions in the electrolyte. Furthermore, inside an asymmetric electrolyte, the correlation potential is singly screened, i.e., it undergoes exponential decay with a decay width equal to the Debye length.

Geophysical Remote Sensing Using the HF Pumped Stimulated Brillouin Scatter (SBS) Emission Lines Produced by HAARP

NASA Astrophysics Data System (ADS)

Bernhardt, P. A.; Selcher, C. A.

2009-12-01

An ordinary or extraordinary mode electromagnetic wave can decay into a low frequency electrostatic wave and a scattered electromagnetic wave by a process called stimulated Brillouin scatter (SBS). The low frequency wave can be either an ion acoustic wave (IA) or an electrostatic ion cyclotron (EIC) wave. The first detection ion acoustic waves by this process during ionospheric modification with high power radio waves was reported by Norin et al. (2009) using the HAARP transmitter in Alaska. The first detection of the electrostatic ion cyclotron waves is reported here using HAARP during the March 2009 campaign. Subsequent experiments have provided additional verification of the SBS process and quantitative interpretation of the scattered wave frequency offsets to yield measurements of the electron temperatures in the heated ionosphere by Bernhardt et al. (2009). Using the SBS technique to generate ion acoustic waves, electron temperatures between 3000 and 4000 K were measured over the HAARP facility. The matching conditions for decay of the high frequency pump wave show that in addition to the production of an ion-acoustic wave, an electrostatic ion cyclotron wave can produced by the generalized SBS processes only if the pump waves makes a large angle with the magnetic field. When the EIC mode is produced, it is seen as a narrow of stimulated electromagnetic emissions at the ion cyclotron frequency. Occasionally, multiple lines are seen and analyzed to yield the relative abundance of oxygen, and molecular ions in the lower ionosphere. This ion mass spectrometer interpretation of the SBS data is new to the field of ionosphere remote sensing. In addition, based on the matching condition theory, the first profiles of the scattered wave amplitude are produced using the stimulated Brillouin scatter (SBS) matching conditions. These profiles are consistent with maximum ionospheric interactions at the upper-hybrid resonance height and at a region just below the plasma resonance altitude where the pump wave electric fields reach their maximum values. All of these measurements of the HF modified ionosphere are made possible at HAARP because of (1) the recently increased transmitter power to 3.6 MW into the large antenna array and (2) the new digital receiver diagnostics that allow up to 100 dB dynamic range in the stimulated electromagnetic emission measurements. Paul A. Bernhardt, Craig A. Selcher, Robert H. Lehmberg, Serafin Rodriguez, Joe Thomason, Mike McCarrick, Gordon Frazer, Determination of the Electron Temperature in the Modified Ionosphere over HAARP Using the HF Pumped Stimulated Brillouin Scatter (SBS) Emission Lines, Annales Geophysicae, in press, 2009. Norin, L., Leyser, T. B., Nordblad, E., Thidé, B., and McCarrick, M., Unprecedentedly strong and narrow electromagnetic emissions stimulated by high-frequency radio waves in the ionosphere, Phys. Rev. Lett., 102, 065003, 2009.

Novel electrostatic attraction from plasmon fluctuations

PubMed

Lau; Levine; Pincus

2000-05-01

In this Letter, we show that, at low temperatures, zero-point fluctuations of the plasmon modes of two mutually coupled 2D planar Wigner crystals give rise to a novel long-range attractive force. For the case where the distance d between two planar surfaces is large, this attractive force has an unusual power-law decay, which scales as d(-7/2), unlike other fluctuation-induced forces. Specifically, we note that its range is longer than the "standard" zero-temperature van der Waals interaction. This result may, in principle, be observed in bilayer electronic systems and provides insight into the nature of correlation effects for highly charged surfaces.

Better Modeling of Electrostatic Discharge in an Insulator

NASA Technical Reports Server (NTRS)

Pekov, Mihail

2010-01-01

An improved mathematical model has been developed of the time dependence of buildup or decay of electric charge in a high-resistivity (nominally insulating) material. The model is intended primarily for use in extracting the DC electrical resistivity of such a material from voltage -vs.- current measurements performed repeatedly on a sample of the material over a time comparable to the longest characteristic times (typically of the order of months) that govern the evolution of relevant properties of the material. This model is an alternative to a prior simplistic macroscopic model that yields results differing from the results of the time-dependent measurements by two to three orders of magnitude.

Adiabatic description of long range frequency sweeping

NASA Astrophysics Data System (ADS)

Nyqvist, R. M.; Lilley, M. K.; Breizman, B. N.

2012-09-01

A theoretical framework is developed to describe long range frequency sweeping events in the 1D electrostatic bump-on-tail model with fast particle sources and collisions. The model includes three collision operators (Krook, drag (dynamical friction) and velocity space diffusion), and allows for a general shape of the fast particle distribution function. The behaviour of phase space holes and clumps is analysed in the absence of diffusion, and the effect of particle trapping due to separatrix expansion is discussed. With a fast particle distribution function whose slope decays above the resonant phase velocity, hooked frequency sweeping is found for holes in the presence of drag collisions alone.

Assessment of co-composting process with high load of an inorganic industrial waste.

PubMed

Soares, Micaela A R; Quina, Margarida J; Reis, Marco S; Quinta-Ferreira, Rosa

2017-01-01

This study aims to investigate the co-composting of an inorganic industrial waste (eggshell - ES) in very high levels (up to 60% w/w). Since composting is a process in which solid, liquid and gaseous phases interact in a very complex way, there is a need to shed light on statistical tools that can unravel the main relationships structuring the variability associated to this process. In this study, PCA and data visualisation were used with that purpose. The co-composting tests were designed with increasing quantities of ES (0, 10, 20, 30 and 60%ES w/w) mixed with industrial potato peel and rice husks. Principal component analysis showed that physical properties like free air space, bulk density and moisture are the most relevant variables for explaining the variability due to ES content. On the other hand, variability in time dynamics is mostly driven by some chemical and phytoxicological parameters, such as organic matter decay and nitrate content. Higher ES incorporation (60% ES) enhanced the initial biological activity of the mixture, but the higher bulk density and lower water holding capacity had a negative effect on the aerobic biological activity as the process evolved. Nevertheless, pathogen-killing temperatures (>70°C for 11h) were attained. All the final products obtained after 90days were stable and non-phytotoxic. This work proved that valorisation of high amounts of eggshell by co-composting is feasible, but prone to be influenced by the physical properties of the mixtures. Copyright © 2016 Elsevier Ltd. All rights reserved.

Two-dimensional relativistic space charge limited current flow in the drift space

NASA Astrophysics Data System (ADS)

Liu, Y. L.; Chen, S. H.; Koh, W. S.; Ang, L. K.

2014-04-01

Relativistic two-dimensional (2D) electrostatic (ES) formulations have been derived for studying the steady-state space charge limited (SCL) current flow of a finite width W in a drift space with a gap distance D. The theoretical analyses show that the 2D SCL current density in terms of the 1D SCL current density monotonically increases with D/W, and the theory recovers the 1D classical Child-Langmuir law in the drift space under the approximation of uniform charge density in the transverse direction. A 2D static model has also been constructed to study the dynamical behaviors of the current flow with current density exceeding the SCL current density, and the static theory for evaluating the transmitted current fraction and minimum potential position have been verified by using 2D ES particle-in-cell simulation. The results show the 2D SCL current density is mainly determined by the geometrical effects, but the dynamical behaviors of the current flow are mainly determined by the relativistic effect at the current density exceeding the SCL current density.

The Hadronic Origin of the Hard Gamma-Ray Spectrum from Blazar 1ES 1101-232

NASA Astrophysics Data System (ADS)

Cao, Gang; Wang, Jiancheng

2014-03-01

The very hard γ-ray spectrum from distant blazars challenges the traditional synchrotron self-Compton (SSC) model, which may indicate that there is a contribution from an additional high-energy component beyond the SSC emission. In this paper, we study the possible origin of the hard γ-ray spectrum from distant blazars. We develop a model to explain the hard γ-ray spectrum from blazar 1ES 1101-232. In the model, the optical and X-ray radiation would come from the synchrotron radiation of primary electrons and secondary pairs and the GeV emission would be produced by the SSC process, however, the hard γ-ray spectrum would originate from the decay of neutral pion produced through proton-photon interactions with the synchrotron radiation photons within the jet. Our model can explain the observed spectral energy distribution of 1ES 1101-232 well, especially the very hard γ-ray spectrum. However, our model requires a very large proton power to efficiently produce the γ-ray through proton-photon interactions.

Gauging of the PhoE channel by a single freely diffusing proton.

PubMed

Bransburg-Zabary, Sharron; Nachliel, Esther; Gutman, Menachem

2002-12-01

In the present study we combined a continuum approximation with a detailed mapping of the electrostatic potential inside an ionic channel to define the most probable trajectory for proton propagation through the channel (propagation along a structure-supported trajectory (PSST)). The conversion of the three-dimensional diffusion space into propagation along a one-dimensional pathway permits reconstruction of an ion motion by a short calculation (a few seconds on a state-of-the-art workstation) rather than a laborious, time-consuming random walk simulations. The experimental system selected for testing the accuracy of this concept was the reversible dissociation of a proton from a single pyranine molecule (8-hydroxypyrene-1,2,3-trisulfonate) bound by electrostatic forces inside the PhoE ionic channel of the Escherichia coli outer membrane. The crystal structure coordinates were used for calculation of the intra-cavity electrostatic potential, and the reconstruction of the observed fluorescence decay curve was carried out using the dielectric constant of the intra-cavity space as an adjustable parameter. The fitting of past experimental observations (Shimoni, E., Y. Tsfadia, E. Nachliel, and M. Gutman. 1993. Biophys. J. 64:472-479) was carried out by a modified version of the Agmon geminate recombination program (Krissinel, E. B., and N. Agmon. 1996. J. Comp. Chem. 17:1085-1098), where the gradient of the electrostatic potential and the entropic terms were calculated by the PSST program. The best-fitted reconstruction of the observed dynamics was attained when the water in the cavity was assigned epsilon

Thoron detection with an active Radon exposure meter—First results

DOE Office of Scientific and Technical Information (OSTI.GOV)

Irlinger, J., E-mail: josef.irlinger@helmholtz-muenchen.de; Wielunski, M.; Rühm, W.

For state-of-the-art discrimination of Radon and Thoron several measurement techniques can be used, such as active sampling, electrostatic collection, delayed coincidence method, and alpha-particle-spectroscopy. However, most of the devices available are bulky and show high power consumption, rendering them unfeasible for personal exposition monitoring. Based on a Radon exposure meter previously realized at the Helmholtz Center Munich (HMGU), a new electronic prototype for Radon/Thoron monitoring is currently being developed, which features small size and weight. Operating with pin-diode detectors, the low-power passive-sampling device can be used for continuous concentration measurements, employing alpha-particle-spectroscopy and coincidence event registration to distinguish decays originatingmore » either from Radon or Thoron isotopes and their decay products. In open geometry, preliminary calibration measurements suggest that one count per hour is produced by a 11 Bq m{sup −3} Radon atmosphere or by a 15 Bq m{sup −3} Thoron atmosphere. Future efforts will concentrate on measurements in mixed Radon/Thoron atmospheres.« less

The first experimental investigation of the KLL Auger spectrum of Ni generated in the electron capture decay of radioactive 64Cu in a solid state matrix

NASA Astrophysics Data System (ADS)

Inoyatov, A. Kh.; Perevoshchikov, L. L.; Kovalík, A.; Filosofov, D. V.; Gorozhankin, V. M.; Ryšavý, M.

2012-09-01

The KLL Auger spectrum of Ni generated in the electron capture decay of radioactive 64Cu in a solid state matrix was measured for the first time using a combined electrostatic electron spectrometer adjusted to a 7 eV instrumental resolution. Energies and relative intensities of the all nine basic spectrum components were determined and compared with data obtained from X-ray induced spectra of metallic Ni and with theoretical results as well. Absolute energy of 6562.5 ± 1.3 eV (related to the Fermi level) measured for the dominant KL2L3(1D2) than a value obtained from the X-ray induced spectra which is probably caused by the effects of chemical bonding and physico-chemical environment. Moreover, it is higher by 20.4 eV (16 σ) than a prediction of the semi-empirical calculations by Larkins which indicates an influence of the "atomic structure effect" on absolute energies of the Auger transitions following the electron capture decay and, possibly, some imperfections in the calculations. Good agreement of the measured and predicted KL1L2(3P0/1P1) transition intensity ratios indicates perceptible influence of the relativistic effects on the KLL Auger spectrum even at Z = 28.

STABILITY OF A CYLINDRICAL SOLUTE-SOLVENT INTERFACE: EFFECT OF GEOMETRY, ELECTROSTATICS, AND HYDRODYNAMICS.

PubMed

Li, B O; Sun, Hui; Zhou, Shenggao

The solute-solvent interface that separates biological molecules from their surrounding aqueous solvent characterizes the conformation and dynamics of such molecules. In this work, we construct a solvent fluid dielectric boundary model for the solvation of charged molecules and apply it to study the stability of a model cylindrical solute-solvent interface. The motion of the solute-solvent interface is defined to be the same as that of solvent fluid at the interface. The solvent fluid is assumed to be incompressible and is described by the Stokes equation. The solute is modeled simply by the ideal-gas law. All the viscous force, hydrostatic pressure, solute-solvent van der Waals interaction, surface tension, and electrostatic force are balanced at the solute-solvent interface. We model the electrostatics by Poisson's equation in which the solute-solvent interface is treated as a dielectric boundary that separates the low-dielectric solute from the high-dielectric solvent. For a cylindrical geometry, we find multiple cylindrically shaped equilibrium interfaces that describe polymodal (e.g., dry and wet) states of hydration of an underlying molecular system. These steady-state solutions exhibit bifurcation behavior with respect to the charge density. For their linearized systems, we use the projection method to solve the fluid equation and find the dispersion relation. Our asymptotic analysis shows that, for large wavenumbers, the decay rate is proportional to wavenumber with the proportionality half of the ratio of surface tension to solvent viscosity, indicating that the solvent viscosity does affect the stability of a solute-solvent interface. Consequences of our analysis in the context of biomolecular interactions are discussed.

Electrostatic Levitation of Lunar Dust: Preliminary Experimental Observations

NASA Astrophysics Data System (ADS)

Marshall, J.; Davis, S.; Laub, J.

2007-12-01

A lunar dust laboratory has been established in the Space Science Division at NASA Ames to evaluate fundamental electrostatic processes at the Moon's surface. Photoelectric charging, triboelectric charging, and interactions of these processes are investigated for dust-size materials. An electric field simulating the solar- plasma induced E-field of the lunar surface has been created with parallel charged capacitance plates. The field is linear, but field-shaping to create lunar-like exponentially decaying E-fields will be conducted in the near future. Preliminary tests of dust tribocharging have been conducted using a vibrating base plate within the electric field and have produced electrostatic levitation of 1.6 micron diameter silicate particles. We were able to achieve levitation in a modest vacuum environment (1.7 Torr) with the particles charged to approximately 15 percent of the Gaussian limit (defined as 2.64 E-5 C/m-2 for atmospheric air) at a threshold field strength of 2250 V/m. This charging corresponds to only a few hundred (negative) charges per particle; the field strength drops to 375 V/m when gravitationally scaled for the Moon, while dust tribocharging to greater than 100 percent of the Gaussian limit would be possible in the ultra high vacuum environment on the Moon and result in even lower threshold field strengths. We conclude therefore, that anthropogenic disturbance of lunar dust (as a result of NASA's proposed base construction, mining, vehicle motion, etc) could potentially pollute the lunar environment with levitated dust and severely impair scientific experiments requiring a pristine lunar exosphere.

Time-dependent Electron Acceleration in Pulsar Wind Termination Shocks: Application to the 2011 April Crab Nebula Gamma-Ray Flare

NASA Astrophysics Data System (ADS)

Kroon, John J.; Becker, Peter A.; Finke, Justin D.

2018-01-01

The γ-ray flares from the Crab Nebula observed by AGILE and Fermi-LAT between 2007 and 2013 reached GeV photon energies and lasted several days. The strongest emission, observed during the 2011 April “superflare”, exceeded the quiescent level by more than an order of magnitude. These observations challenge the standard models for particle acceleration in pulsar wind nebulae, because the radiating electrons have energies exceeding the classical radiation-reaction limit for synchrotron emission. Particle-in-cell simulations have suggested that the classical synchrotron limit can be exceeded if the electrons also experience electrostatic acceleration due to shock-driven magnetic reconnection. In this paper, we revisit the problem using an analytic approach based on solving a fully time-dependent electron transport equation describing the electrostatic acceleration, synchrotron losses, and escape experienced by electrons in a magnetically confined plasma “blob” as it encounters and passes through the pulsar wind termination shock. We show that our model can reproduce the γ-ray spectra observed during the rising and decaying phases of each of the two sub-flare components of the 2011 April superflare. We integrate the spectrum for photon energies ≥slant 100 MeV to obtain the light curve for the event, which also agrees with the observations. We find that strong electrostatic acceleration occurs on both sides of the termination shock, driven by magnetic reconnection. We also find that the dominant mode of particle escape changes from diffusive escape to advective escape as the blob passes through the shock.

Psychophysics, flare, and neurosecretory function in human pain models: capsaicin versus electrically evoked pain.

PubMed

Geber, Christian; Fondel, Ricarda; Krämer, Heidrun H; Rolke, Roman; Treede, Rolfe-Detlef; Sommer, Claudia; Birklein, Frank

2007-06-01

Intradermal capsaicin injection (CAP) and electrical current stimulation (ES) are analyzed in respect to patterns and test-retest reliability of pain as well as sensory and neurosecretory changes. In 10 healthy subjects, 2x CAP (50 microg) and 2x ES (5 to 30 mA) were applied to the volar forearm. The time period between 2 identical stimulations was about 4 months. Pain ratings, areas of mechanical hyperalgesia, and allodynia were assessed. The intensity of sensory changes was quantified by using quantitative sensory testing. Neurogenic flare was assessed by using laser Doppler imaging. Calcitonin gene-related peptide (CGRP) release was quantified by dermal microdialysis in combination with an enzyme immunoassay. Time course and peak pain ratings were different between CAP and ES. Test-retest correlation was high (r > or = 0.73). Both models induced primary heat hyperalgesia and primary plus secondary pin-prick hyperalgesia. Allodynia occurred in about half of the subjects. Maximum flare sizes did not differ between CAP and ES, but flare intensities were higher for ES. Test-retest correlation was higher for flare sizes than for flare intensity. A significant CGRP release could only be measured after CAP. The different time courses of pain stimulation (CAP: rapidly decaying pain versus ES: pain plateau) led to different peripheral neurosecretory effects but induced similar central plasticity and hyperalgesia. The present study gives a detailed overview of psychophysical and neurosecretory characteristics induced by noxious stimulation with capsaicin and electrical current. We describe differences, similarities, and reproducibility of these human pain models. These data might help to interpret past and future results of human pain studies using experimental pain.

Searching for U-235m produced by Nuclear Excitation by Electronic Transition

NASA Astrophysics Data System (ADS)

Chodash, Perry; Norman, Eric; Burke, Jason; Wilks, Scott; Casperson, Robert

2014-09-01

Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is predicted to occur in numerous isotopes, including U-235. When a nuclear transition matches the energy and the multipolarity of an electronic transition, there is a possibility that NEET will occur. If NEET were to occur in U-235, the nucleus would be excited to its 1/2 + isomeric state that subsequently decays by internal conversion with a decay energy of 77 eV and a half-life of 26 minutes. Theory predicts that NEET can occur in partially ionized uranium plasma with a charge state of 23 +. A pulsed Nd:YAG laser operating at 1064 nm with a pulse energy of 780 mJ and a pulse width of 9 ns was used to generate the uranium plasma. The laser was focused on small samples of both depleted uranium and highly enriched uranium. The plasma conditions created by the intense laser pulse were varied by changing the spot size of the laser on the target. The resulting plasma was collected on a plate and the internal conversion electrons were focused onto a microchannel plate detector by a series of electrostatic lenses. First results will be presented. Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is predicted to occur in numerous isotopes, including U-235. When a nuclear transition matches the energy and the multipolarity of an electronic transition, there is a possibility that NEET will occur. If NEET were to occur in U-235, the nucleus would be excited to its 1/2 + isomeric state that subsequently decays by internal conversion with a decay energy of 77 eV and a half-life of 26 minutes. Theory predicts that NEET can occur in partially ionized uranium plasma with a charge state of 23 +. A pulsed Nd:YAG laser operating at 1064 nm with a pulse energy of 780 mJ and a pulse width of 9 ns was used to generate the uranium plasma. The laser was focused on small samples of both depleted uranium and highly enriched uranium. The plasma conditions created by the intense laser pulse were varied by changing the spot size of the laser on the target. The resulting plasma was collected on a plate and the internal conversion electrons were focused onto a microchannel plate detector by a series of electrostatic lenses. First results will be presented. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The U.S. DHS, UC Berkeley, the NNIS fellowship and the NSSC further supported this work.

First Direct Mass Measurements of Nuclides around Z =100 with a Multireflection Time-of-Flight Mass Spectrograph

NASA Astrophysics Data System (ADS)

Ito, Y.; Schury, P.; Wada, M.; Arai, F.; Haba, H.; Hirayama, Y.; Ishizawa, S.; Kaji, D.; Kimura, S.; Koura, H.; MacCormick, M.; Miyatake, H.; Moon, J. Y.; Morimoto, K.; Morita, K.; Mukai, M.; Murray, I.; Niwase, T.; Okada, K.; Ozawa, A.; Rosenbusch, M.; Takamine, A.; Tanaka, T.; Watanabe, Y. X.; Wollnik, H.; Yamaki, S.

2018-04-01

The masses of 246Es, 251Fm, and the transfermium nuclei Md-252249 and 254No, produced by hot- and cold-fusion reactions, in the vicinity of the deformed N =152 neutron shell closure, have been directly measured using a multireflection time-of-flight mass spectrograph. The masses of 246Es and 249,250,252Md were measured for the first time. Using the masses of Md,250249 as anchor points for α decay chains, the masses of heavier nuclei, up to 261Bh and 266Mt, were determined. These new masses were compared with theoretical global mass models and demonstrated to be in good agreement with macroscopic-microscopic models in this region. The empirical shell gap parameter δ2 n derived from three isotopic masses was updated with the new masses and corroborates the existence of the deformed N =152 neutron shell closure for Md and Lr.

Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes.

PubMed

Kondratyuk, Nikolay D; Norman, Genri E; Stegailov, Vladimir V

2016-11-28

Diffusion is one of the key subjects of molecular modeling and simulation studies. However, there is an unresolved lack of consistency between Einstein-Smoluchowski (E-S) and Green-Kubo (G-K) methods for diffusion coefficient calculations in systems of complex molecules. In this paper, we analyze this problem for the case of liquid n-triacontane. The non-conventional long-time tails of the velocity autocorrelation function (VACF) are found for this system. Temperature dependence of the VACF tail decay exponent is defined. The proper inclusion of the long-time tail contributions to the diffusion coefficient calculation results in the consistency between G-K and E-S methods. Having considered the major factors influencing the precision of the diffusion rate calculations in comparison with experimental data (system size effects and force field parameters), we point to hydrogen nuclear quantum effects as, presumably, the last obstacle to fully consistent n-alkane description.

Inferring the microscopic surface energy of protein-protein interfaces from mutation data.

PubMed

Moal, Iain H; Dapkūnas, Justas; Fernández-Recio, Juan

2015-04-01

Mutations at protein-protein recognition sites alter binding strength by altering the chemical nature of the interacting surfaces. We present a simple surface energy model, parameterized with empirical ΔΔG values, yielding mean energies of -48 cal mol(-1) Å(-2) for interactions between hydrophobic surfaces, -51 to -80 cal mol(-1) Å(-2) for surfaces of complementary charge, and 66-83 cal mol(-1) Å(-2) for electrostatically repelling surfaces, relative to the aqueous phase. This places the mean energy of hydrophobic surface burial at -24 cal mol(-1) Å(-2) . Despite neglecting configurational entropy and intramolecular changes, the model correlates with empirical binding free energies of a functionally diverse set of rigid-body interactions (r = 0.66). When used to rerank docking poses, it can place near-native solutions in the top 10 for 37% of the complexes evaluated, and 82% in the top 100. The method shows that hydrophobic burial is the driving force for protein association, accounting for 50-95% of the cohesive energy. The model is available open-source from http://life.bsc.es/pid/web/surface_energy/ and via the CCharpPPI web server http://life.bsc.es/pid/ccharppi/. © 2015 Wiley Periodicals, Inc.

Slow positron applications at slow positron facility of institute of materials structure science, KEK

NASA Astrophysics Data System (ADS)

Hyodo, Toshio; Mochizuki, Izumi; Wada, Ken; Toge, Nobukazu; Shidara, Tetsuo

2018-05-01

Slow Positron Facility at High Energy Accelerator Research Organization (KEK) is a user dedicated facility with an energy-tunable (0.1 - 35 keV) slow positron beam created by a dedicated ˜ 50 MeV linac. It operates in a short pulse (width 1-12 ns, variable, 5×106 e+/s) and a long pulse (width 1.2 µs, 5×107 e+/s) modes of 50 Hz. High energy positrons from pair creation are moderated by reemission after thermalization in W foils. The reemitted positrons are then electrostatically accelerated to a desired energy up to 35 keV and magnetically transported. A pulse-stretching section (pulse stretcher) is installed in the middle of the beamline. It stretches the slow positron pulse for the experiments where too many positrons annihilating in the sample at the same time has to be avoided. Four experiment stations for TRHEPD (total-reflection high-energy positron diffraction), LEPD (low-energy positron diffraction), Ps- (positronium negative ion), and Ps-TOF (positronium time-of-flight) experiments are connected to the beamline branches, SPF-A3, SPF-A4, SPF-B1 and SPF-B2, respectively. Recent results of these stations are briefly described.

A Study of the Electrostatic Interaction Between Insulators and Martian/Lunar Soil Simulants

NASA Technical Reports Server (NTRS)

Mantovani, James G.

2001-01-01

Using our previous experience with the Mars Environmental Compatibility Assessment (MECA) electrometer, we have designed a new type of aerodynamic electrometer. The goal of the research was to measure the buildup of electrostatic surface charge on a stationary cylindrical insulator after windborne granular particles have collided with the insulator surface in a simulated dust storm. The experiments are performed inside a vacuum chamber. This allows the atmospheric composition and pressure to be controlled in order to simulate the atmospheric conditions near the equator on the Martian surface. An impeller fan was used to propel the dust particles at a cylindrically shaped insulator under low vacuum conditions. We tested the new electrometer in a 10 mbar CO2 atmosphere by exposing two types of cylindrical insulators, Teflon (1.9 cm diameter) and Fiberglass (2.5 cm diameter), to a variety of windborne granular particulate materials. The granular materials tested were JSC Mars-1 simulant, which is a mixture of coarse and fine (<5microns diameter) particle sizes, and some of the major mineral constituents of the Martian soil. The minerals included Ottawa sand (SiO2), iron oxide (Fe2O3), aluminum oxide (Al2O3) and magnesium oxide (MgO). We also constructed a MECA-like electrometer that contained an insulator capped planar electrode for measuring the amount of electrostatic charge produced by rubbing an insulator surface over Martian and lunar soil simulants. The results of this study indicate that it is possible to detect triboelectric charging of insulator surfaces by windborne Martian soil simulant, and by individual mineral constituents of the soil simulant. We have also found that Teflon and Fiberglass insulator surfaces respond in different ways by developing opposite polarity surface charge, which decays at different rates after the particle impacts cease.

Full-Scale Numerical Modeling of Turbulent Processes in the Earth's Ionosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eliasson, B.; Stenflo, L.; Department of Physics, Linkoeping University, SE-581 83 Linkoeping

2008-10-15

We present a full-scale simulation study of ionospheric turbulence by means of a generalized Zakharov model based on the separation of variables into high-frequency and slow time scales. The model includes realistic length scales of the ionospheric profile and of the electromagnetic and electrostatic fields, and uses ionospheric plasma parameters relevant for high-latitude radio facilities such as Eiscat and HAARP. A nested grid numerical method has been developed to resolve the different length-scales, while avoiding severe restrictions on the time step. The simulation demonstrates the parametric decay of the ordinary mode into Langmuir and ion-acoustic waves, followed by a Langmuirmore » wave collapse and short-scale caviton formation, as observed in ionospheric heating experiments.« less

Experiments on the Synthesis of Superheavy Elements with 48CA Beams at the Separator Vassilissa

NASA Astrophysics Data System (ADS)

Oganessian, Yu. Ts.; Yeremin, A. V.; Belozerov, A. V.; Chelnokov, M. L.; Chepigin, V. I.; Gorshkov, V. A.; Kabachenko, A. P.; Korotkov, S. P.; Malyshev, O. N.; Popeko, A. G.; Roháč, J.; Sagaidak, R. N.; Hofmann, S.; Münzenberg, G.; Veselsky, M.; Saro, S.; Iwasa, N.; Morita, K.; Giardina, G.

2001-04-01

The study of the decay properties and formation cross sections of the isotopes of elements 110, 112 and 114 were performed at the FLNR JINR with the use of the high intensity 48Ca beams and an electrostatic separator VASSILISSA. 232Th, 238U and 242Pu targets were used in the experiments. At the beam energies corresponding to the calculated cross section maxima of the 3n evaporation channels the isotopes 277110, 283112 and 287114 were produced and identified. The cross section limits were obtained at excitation energies of the compound nucleus corresponding to the maxima of the 4n evaporation channels for the reactions with 232Th and 238U targets.

Formation and decay of tetrazane derivatives--a Car-Parrinello molecular dynamics study.

PubMed

Nonnenberg, Christel; Frank, Irmgard

2008-08-14

The complications during flight 510 of the Ariane Project were ascribed to problems in the upper stage engine that employs the bipropellant monomethylhydrazine (MMH) and nitrogen tetroxide (NTO). This has led to the question what conditions or reactions possibly cause an uncontrolled behaviour in the combustion process of MMH/NTO. We use first-principles molecular dynamics to investigate the reactions of the hypergolic mixture in different chemical situations. It was possible to observe the ultrafast redox reaction between the reactants on the timescale of an unconstrained simulation. We show that electrostatic attraction is crucial for the understanding of this reaction. Besides a cold reaction preceding the ignition, a reaction path leading to the highly reactive compound dimethyltetrazane could be identified.

Insulator Surface Charge as a Function of Pressure: Theory and Simulation

NASA Technical Reports Server (NTRS)

Hogue, Michael D.; Calle, Carlos I.; Mucciolo, Eduardo; Hintze, Paul

2005-01-01

A two-phase equilibrium model was developed to explain the discontinuous surface charge decay versus atmospheric pressure of insulators that had been charged triboelectrically. The two-phase model is an electrostatic form of the Langmuir Isotherm for ions adsorbed on a surface in equilibrium with ions in the gas phase. In this paper, the model was extended to account for vibrational states of the adsorbed surface ions via the vibrational partition function. An analysis is performed that rules out Paschen discharge as the cause of the discharge observed. Also, a numerical simulation is performed using NWChem to calculate the adsorption energies of ions on insulator surfaces for comparison to curve fit adsorption energies developed from the model and experimental data.

Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

DOE PAGES

Zhang, Lipeng; Xu, Haixuan; Kent, Paul R. C.; ...

2016-05-06

The emergence of two-dimensional metallic states at the LaAlO 3/SrTiO 3 (LAO/STO) heterostructure interface is known to occur at a critical thickness of four LAO over layers. This insulator-to-metal transition can be explained through the polar catastrophe mechanism arising from the divergence of the electrostatic potential at the LAO surface. Here, we demonstrate that nanostructuring can be effective in reducing or eliminating this critical thickness. Employing a modified polar catastrophe" model, we demonstrate that the nanowire heterostructure electrostatic potential diverges more rapidly as a function of layer thickness than in a regular heterostructure. Our first principles calculations indicate that formore » nanowire heterostructure geometries a one-dimensional electron gas (1DEG) can be induced, consistent with recent experimental observations of 1D conductivity in LAO/STO steps. Similar to LAO/STO 2DEGs, we predict that the 1D charge density will decay laterally within a few unit cells away from the nanowire; thus providing a mechanism for tuning the carrier behavior between 1D and 2D conductivity. Furthermore, our work provides insight into the creation and manipulation of charge density at an oxide heterostructure interface and therefore may be beneficial for future nanoelectronic devices and for the engineering of novel quantum phases.« less

Dispersive FDTD analysis of induced electric field in human models due to electrostatic discharge.

PubMed

Hirata, Akimasa; Nagai, Toshihiro; Koyama, Teruyoshi; Hattori, Junya; Chan, Kwok Hung; Kavet, Robert

2012-07-07

Contact currents flow from/into a charged human body when touching a grounded conductive object. An electrostatic discharge (ESD) or spark may occur just before contact or upon release. The current may stimulate muscles and peripheral nerves. In order to clarify the difference in the induced electric field between different sized human models, the in-situ electric fields were computed in anatomically based models of adults and a child for a contact current in a human body following ESD. A dispersive finite-difference time-domain method was used, in which biological tissue is assumed to obey a four-pole Debye model. From our computational results, the first peak of the discharge current was almost identical across adult and child models. The decay of the induced current in the child was also faster due mainly to its smaller body capacitance compared to the adult models. The induced electric fields in the forefingers were comparable across different models. However, the electric field induced in the arm of the child model was found to be greater than that in the adult models primarily because of its smaller cross-sectional area. The tendency for greater doses in the child has also been reported for power frequency sinusoidal contact current exposures as reported by other investigators.

Capillary bridge stability and dynamics: Active electrostatic stress control and acoustic radiation pressure

NASA Astrophysics Data System (ADS)

Wei, Wei

2005-11-01

In low gravity, the stability of liquid bridges and other systems having free surfaces is affected by the ambient vibration of the spacecraft. Such vibrations are expected to excite capillary modes. The lowest unstable mode of cylindrical liquid bridges, the (2,0) mode, is particularly sensitive to the vibration when the ratio of the bridge length to the diameter approaches pi. In this work, a Plateau tank has been used to simulate the weightless condition. An optical system has been used to detect the (2,0) mode oscillation amplitude and generate an error signal which is determined by the oscillation amplitude. This error signal is used by the feedback system to produce proper voltages on the electrodes which are concentric with the electrically conducting, grounded bridge. A mode-coupled electrostatic stress is thus generated on the surface of the bridge. The feedback system is designed such that the modal force applied by the Maxwell stress can be proportional to the modal amplitude or modal velocity, which is the derivative of the modal amplitude. Experiments done in the Plateau tank demonstrate that the damping of the capillary oscillation can be enhanced by using the electrostatic stress in proportion to the modal velocity. On the other hand, using the electrostatic stress in proportion to the modal amplitude can raise the natural frequency of the bridge oscillation. If a spacecraft vibration frequency is close to a capillary mode frequency, the amplitude gain can be used to shift the mode frequency away from that of the spacecraft and simultaneously add some artificial damping to further reduce the effect of g-jitter. It is found that the decay of a bridge (2,0) mode oscillation is well modeled by a Duffing equation with a small cubic soft-spring term. The nonlinearity of the bridge (3,0) mode is also studied. The experiments reveal the hysteresis of (3,0) mode bridge oscillations, and this behavior is a property of the soft nonlinearity of the bridge. Relevant to acoustical bridge stabilization, the theoretical radiation force on a compressible cylinder in an acoustic standing wave is also investigated.

Development of a polarized 31Mg+ beam as a spin-1/2 probe for BNMR

NASA Astrophysics Data System (ADS)

Levy, C. D. P.; Pearson, M. R.; Dehn, M. H.; Karner, V. L.; Kiefl, R. F.; Lassen, J.; Li, R.; MacFarlane, W. A.; McFadden, R. M. L.; Morris, G. D.; Stachura, M.; Teigelhöfer, A.; Voss, A.

2016-12-01

A 28 keV beam of 31Mg+ ions was extracted from a uranium carbide, proton-beam-irradiated target coupled to a laser ion source. The ion beam was nuclear-spin polarized by collinear optical pumping on the 2it {S}_{1/2}-2it {P}_{1/2} transition at 280 nm. The polarization was preserved by an extended 1 mT guide field as the beam was transported via electrostatic bends into a 2.5 T longitudinal magnetic field. There the beam was implanted into a single crystal MgO target and the beta decay asymmetry was measured. Both hyperfine ground states were optically pumped with a single frequency light source, using segmentation of the beam energy, which boosted the polarization by approximately 50 % compared to pumping a single ground state. The total decay asymmetry of 0.06 and beam intensity were sufficient to provide a useful spin-1/2 beam for future BNMR experiments. A variant of the method was used previously to optically pump the full Doppler-broadened absorption profile of a beam of 11Be+ with a single-frequency light source.

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

PubMed

Kohut, Sviataslau V; Staroverov, Viktor N

2013-10-28

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

Fundamentals of Tribology; Proceedings of the International Conference on the Fundamentals of Tribology held at The Massachusetts Institute of Technology, Cambridge, MA

DTIC Science & Technology

1978-06-01

HDL). The locus of electrical centers of hydrated ions in contact with the electrode surface is known as the outer Helmholtz plane ( OHP ) while the...and then a more Crdual exponential decay in the diffuse double layer. The difference in potential between the OHP and the bulk electrolyte, i.e., the...rnntribution of the diffuse double layer, is called the electrokinetic or iC 275 (a) Wc IHP OHP GCL- BULK + + ELECTRO YTE + + + + +G+ + eS+ J f -A -A

Elemental geochemistry and strontium-isotope stratigraphy of Cenomanian to Santonian neritic carbonates in the Zagros Basin, Iran

NASA Astrophysics Data System (ADS)

Navidtalab, Amin; Rahimpour-Bonab, Hossain; Huck, Stefan; Heimhofer, Ulrich

2016-12-01

A Neo-Tethyan upper Cenomanian-Santonian neritic carbonate ramp succession (Sarvak and Ilam formations), drilled in the Zagros Basin in southwest Iran, was investigated via detailed sedimentology, microfacies analysis, elemental geochemistry and Sr-isotope stratigraphy (SIS). The succession contains two exposure surfaces, which are known as the CT-ES and mT-ES (Cenomanian-Turonian and middle Turonian, respectively), and associated prominent negative carbon-isotope excursions that represent important regional stratigraphic marker horizons. Precise knowledge about the onset of platform exposure and the duration of the exposure-related hiatus, however, is currently lacking due to a rather low-resolved shallow-water biostratigraphic framework and a bulk carbonate carbon-isotope pattern that clearly differs from global Late Cretaceous reference curves. Therefore, the existing bio-chemostratigraphic framework was complemented by bulk carbonate strontium-isotope stratigraphy (SIS). As bulk carbonate material is in particular prone to diagenetic alteration, a careful selection of least altered samples has been carried out by means of elemental geochemistry and petrography. In contrast to what could be expected, the meteoric alteration of limestones beneath both exposure surfaces is not clearly expressed by increasing iron and manganese and coeval decreasing strontium contents. On the contrary, the impact of meteoric diagenesis is well illustrated via pronounced increases in Rb concentrations and concomitant prominent positive shifts to radiogenic strontium-isotope values, an observation that clearly reflects the decay of continentally derived 87Rb into 87Sr. Rubidium corrected strontium-isotope values place the CT-ES around the Cenomanian-Turonian boundary and point to an exposure duration of less than 0.4 Myr. This rather short-term CT-ES related hiatus is supported by petrographic evidence, which indicates a youth karstification stage of strata beneath the CT-ES. Following SIS, the Ilam-Sarvak transition at the top of Nezzazatinella-Dicyclina interval zone coincides with the mT-ES. Carbonates placing above this transition (Ilam Formation) are ascribed to the earliest to latest early Santonian, while carbonates immediately beneath the mT-ES (Sarvak Formation) are dated as late Turonian. SIS thus indicates a long-lasting hiatus of 4.5 Myr associated with the mT-ES. Emergence represented by the CT-ES is here proposed as harbinger of the mT-ES in the Zagros Basin, which most likely resulted from stepwise peripheral bulging due to ophiolite obduction in combination with a small-scale global sea level fall around 94 Ma.

Experimental observations of nonlinearly enhanced 2omega-UH electromagnetic radiation excited by steady-state colliding electron beams

NASA Technical Reports Server (NTRS)

Intrator, T.; Hershkowitz, N.; Chan, C.

1984-01-01

Counterstreaming large-diameter electron beams in a steady-state laboratory experiment are observed to generate transverse radiation at twice the upper-hybrid frequency (2omega-UH) with a quadrupole radiation pattern. The electromagnetic wave power density is nonlinearly enhanced over the power density obtained from a single beam-plasma system. Electromagnetic power density scales exponentially with beam energy and increases with ion mass. Weak turbulence theory can predict similar (but weaker) beam energy scaling but not the high power density, or the predominance of the 2omega-UH radiation peak over the omega-UH peak. Significant noise near the upper-hybrid and ion plasma frequencies is also measured, with normalized electrostatic wave energy density W(ES)/n(e)T(e) approximately 0.01.

Understanding the Radioactive Ingrowth and Decay of Naturally Occurring Radioactive Materials in the Environment: An Analysis of Produced Fluids from the Marcellus Shale

PubMed Central

Nelson, Andrew W.; Eitrheim, Eric S.; Knight, Andrew W.; May, Dustin; Mehrhoff, Marinea A.; Shannon, Robert; Litman, Robert; Burnett, William C.; Forbes, Tori Z.

2015-01-01

Background The economic value of unconventional natural gas resources has stimulated rapid globalization of horizontal drilling and hydraulic fracturing. However, natural radioactivity found in the large volumes of “produced fluids” generated by these technologies is emerging as an international environmental health concern. Current assessments of the radioactivity concentration in liquid wastes focus on a single element—radium. However, the use of radium alone to predict radioactivity concentrations can greatly underestimate total levels. Objective We investigated the contribution to radioactivity concentrations from naturally occurring radioactive materials (NORM), including uranium, thorium, actinium, radium, lead, bismuth, and polonium isotopes, to the total radioactivity of hydraulic fracturing wastes. Methods For this study we used established methods and developed new methods designed to quantitate NORM of public health concern that may be enriched in complex brines from hydraulic fracturing wastes. Specifically, we examined the use of high-purity germanium gamma spectrometry and isotope dilution alpha spectrometry to quantitate NORM. Results We observed that radium decay products were initially absent from produced fluids due to differences in solubility. However, in systems closed to the release of gaseous radon, our model predicted that decay products will begin to ingrow immediately and (under these closed-system conditions) can contribute to an increase in the total radioactivity for more than 100 years. Conclusions Accurate predictions of radioactivity concentrations are critical for estimating doses to potentially exposed individuals and the surrounding environment. These predictions must include an understanding of the geochemistry, decay properties, and ingrowth kinetics of radium and its decay product radionuclides. Citation Nelson AW, Eitrheim ES, Knight AW, May D, Mehrhoff MA, Shannon R, Litman R, Burnett WC, Forbes TZ, Schultz MK. 2015. Understanding the radioactive ingrowth and decay of naturally occurring radioactive materials in the environment: an analysis of produced fluids from the Marcellus Shale. Environ Health Perspect 123:689–696; http://dx.doi.org/10.1289/ehp.1408855 PMID:25831257

The effect of emulsifying salts on the turbidity of a diluted milk system with varying pH and protein concentration.

PubMed

Culler, M D; Saricay, Y; Harte, F M

2017-06-01

Solutions of 10 commonly used emulsifying salts (ES) listed in the Code of Federal Regulations (21CFR133.179) for pasteurized process cheese were tested for their effect on the turbidity of a diluted milk system at different pH and protein concentrations to characterize the conditions that affect micellar structure. Emulsifying salt solutions were made by mixing the ES in a 1-in-20 dilution of water in skim milk ultrafiltrate (3 kDa molecular weight cut-off) to obtain ES concentrations from 0 to 248 mM. Skim milk was added to solutions containing nanopure water, skim milk ultrafiltrate, and a specific ES ranging in concentration from 0 to 248 mM and pH 5, 5.8, 6.8, 7.8, and 8.8. The turbidity of the samples was measured as the optical density at 400 nm immediately after mixing (time, t = 0), after 30 s (t = 30s), and after 30 min (t = 30min). Emulsifying salts were found to cause a decrease in the turbidity of the system, which was modeled using an exponential decay model, where C* represents a threshold salt concentration at which rapid dissociation occurs. At pH values 5.8 and 6.8, the ES caused the greatest decrease in turbidity of the diluted milk system. At pH 5, the ES had the least effect on the turbidity of the system. Sodium hexametaphosphate was found to have the strongest dissociative effect, with a C* value of 0.33 mM for t = 0 at pH 6.8. In contrast, the largest C* value calculated at pH 6.8 was monosodium phosphate at 278.22 mM. Increased time resulted in lower C* values. The model established for this study can be used to predict the dissociation of casein micelles in the presence of various types of ES. Copyright © 2017 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Progress towards an intense beam of positrons created by a Van de Graaff accelerator

NASA Astrophysics Data System (ADS)

Lund, K. R.; Weber, M. H.; Lynn, K. G.; Jennings, J.; Minnal, C.; Narimannezhad, A.; Rao, R.; Monster, K. A. W.

2017-12-01

A 4MV Van de Graaff accelerator was used to induce the nuclear reaction 12C(d,n)13N in order to produce an intense beam of positrons. The graphite target was heated so the radioactive 13N would desorb from the bulk into the vacuum. This radioactive gas is frozen onto a cryogenic freezer where it decays to produce an antiparticle beam of positrons. This high current beam is then guided into a superconducting magnet with field strength up to 7 Tesla where the positrons will be stored in a newly designed Micro-Penning-Malmberg trap. Several source geometries have been experimented on and found a maximum antimatter beam with a positron flux of greater than 0.55 ± 0.03 × 106 e+s-1 was achieved. This beam was produced using a solid rare gas moderator composed of krypton (Kr) at a temperature of 25 ± 5 K. Due to geometric restrictions on this set up and other loss mechanisms, 107-108 e+s-1 of the total number of positrons are lost. Simulations and preliminary experiments suggest a new geometry, currently under testing, will produce a beam of 107 e+s-1 or more. The setup and preliminary results for the new geometry will be discussed as well.

Molecular chirality and domain shapes in lipid monolayers on aqueous surfaces

NASA Astrophysics Data System (ADS)

Krüger, Peter; Lösche, Mathias

2000-11-01

The shapes of domain boundaries in the mesoscopic phase separation of phospholipids in aqueous surface monolayers are analyzed with particular attention to the influence of molecular chirality. We have calculated equilibrium shapes of such boundaries, and show that the concept of spontaneous curvature-derived from an effective pair potential between the chiral molecules-yields an adequate description of the contribution of chirality to the total energy of the system. For enantiomeric dipalmitoylphosphatidylcholine in pure monolayers, and in mixtures with impurities that adsorb preferentially at the (one-dimensional) boundary line between the isotropic and anisotropic fluid phases, such as cyanobiphenyl (5CB), a total energy term that includes line tension, electrostatic dipole-dipole interaction, and spontaneous curvature is sufficient to describe the shapes of well-separated domain boundaries in full detail. As soon as interdomain distances fall below the domain sizes upon compression of a monolayer, fluctuations take over in determining its detailed structural morphology. Using Minkowski measures for the well-studied dimyristoyl phosphatidic acid (DMPA)/cholesterol system, we show that calculations accounting for line tension, electrostatic repulsion, and molecular chirality yield boundary shapes that are of the same topology as the experimentally observed structures. At a fixed molecular area in the phase coexistence region, the DMPA/cholesterol system undergoes an exponential decay of the line tension λ with decreasing subphase temperature T.

STM studies of an atomic-scale gate electrode formed by a single charged vacancy in GaAs

NASA Astrophysics Data System (ADS)

Lee, Donghun; Daughton, David; Gupta, Jay

2009-03-01

Electric-field control of spin-spin interactions at the atomic level is desirable for the realization of spintronics and spin-based quantum computation. Here we demonstrate the realization of an atomic-scale gate electrode formed by a single charged vacancy on the GaAs(110) surface[1]. We can position these vacancies with atomic precision using the tip of a home-built, low temperature STM. Tunneling spectroscopy of single Mn acceptors is used to quantify the electrostatic field as a function of distance from the vacancy. Single Mn acceptors are formed by substituting Mn adatoms for Ga atoms in the first layer of the p-GaAs(110) surface[2]. Depending on the distance, the in-gap resonance of single Mn acceptors can shift as much as 200meV. Our data indicate that the electrostatic field decays according to a screened Coulomb potential. The charge state of the vacancy can be switched to neutral, as evidenced by the Mn resonance returning to its unperturbed position. Reversible control of the local electric field as well as charged states of defects in semiconductors can open new insights such as realizing an atomic-scale gate control and studying spin-spin interactions in semiconductors. http://www.physics.ohio-state.edu/sim jgupta [1] D. Lee and J.A. Gupta (in preparation) [2] D. Kitchen et al., Nature 442, 436-439 (2006)

Flowing afterglow studies of the electron recombination of protonated cyanides (RCN)H+ and their proton-bound dimer ions (RCN)2H+ where R is H, CH3, and CH3CH2

NASA Astrophysics Data System (ADS)

McLain, J. L.; Molek, C. D.; , D. Osborne, Jr.; Adams, N. G.

2009-05-01

A study has been made of the electron-ion dissociative recombination of the protonated cyanides (RCNH+, R = H, CH3, C2H5) and their proton-bound dimers (RCN)2H+ at 300 K. This has been accomplished with the flowing afterglow technique using an electrostatic Langmuir probe to determine the electron density decay along the flow tube. For the protonated species, the recombination coefficients, [alpha]e(cm3 s-1), are (3.6 +/- 0.5) × 10-7, (3.4 +/- 0.5) × 10-7, (4.6 +/- 0.7) × 10-7 for R = H, CH3, C2H5, respectively. For the proton-bound dimers, the [alpha]e are substantially greater being (2.4 +/- 0.4) × 10-6, (2.8 +/- 0.4) × 10-6, (2.3 +/- 0.3) × 10-6 for R = H, CH3, C2H5, respectively. Fitting of the electron density decay data to a simple model has shown that the rate coefficients for the three-body association of RCNH+ with RCN are very large being (2.0 +/- 0.5) × 10-26 cm6 s-1. The significance of these data to the Titan ionosphere is discussed.

Search for Nuclear Excitation by Electronic Transition in U-235

NASA Astrophysics Data System (ADS)

Chodash, P. A.; Norman, E. B.; Burke, J. T.; Wilks, S. C.; Casperson, R. J.; Swanberg, E. L.; Wakeling, M. A.; Cordeiro, T. J.

2013-10-01

Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is predicted to occur in numerous isotopes, including U-235. When a nuclear transition matches the energy and the multipolarity of an electronic transition, there is a possibility that NEET will occur. If NEET were to occur in U-235, the nucleus would be excited to its 1/2 + isomeric state that subsequently decays by internal conversion with a decay energy of 77 eV and a half-life of 26 minutes. Theory predicts that NEET can occur in partially ionized uranium plasma with a charge state of 23 +. A pulsed Nd:YAG laser operating at 1064 nm with a pulse energy of 780 mJ and a pulse width of 9 ns was used to generate the uranium plasma. The plasma was collected on a plate and the internal conversion electrons were focused onto a microchannel plate detector by a series of electrostatic lenses. Depleted uranium and highly enriched uranium samples were used for the experiment. Preliminary results will be presented. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. This work was further supported by the U.S. DHS, UC Berkeley, and the NNIS Fellowship.

Faraday forcing of high-temperature levitated liquid metal drops for the measurement of surface tension.

PubMed

Brosius, Nevin; Ward, Kevin; Matsumoto, Satoshi; SanSoucie, Michael; Narayanan, Ranga

2018-01-01

In this work, a method for the measurement of surface tension using continuous periodic forcing is presented. To reduce gravitational effects, samples are electrostatically levitated prior to forcing. The method, called Faraday forcing, is particularly well suited for fluids that require high temperature measurements such as liquid metals where conventional surface tension measurement methods are not possible. It offers distinct advantages over the conventional pulse-decay analysis method when the sample viscosity is high or the levitation feedback control system is noisy. In the current method, levitated drops are continuously translated about a mean position at a small, constant forcing amplitude over a range of frequencies. At a particular frequency in this range, the drop suddenly enters a state of resonance, which is confirmed by large executions of prolate/oblate deformations about the mean spherical shape. The arrival at this resonant condition is a signature that the parametric forcing frequency is equal to the drop's natural frequency, the latter being a known function of surface tension. A description of the experimental procedure is presented. A proof of concept is given using pure Zr and a Ti 39.5 Zr 39.5 Ni 21 alloy as examples. The results compare favorably with accepted literature values obtained using the pulse-decay method.

Electron transport within transparent assemblies of tin-doped indium oxide colloidal nanocrystals

NASA Astrophysics Data System (ADS)

Grisolia, J.; Decorde, N.; Gauvin, M.; Sangeetha, N. M.; Viallet, B.; Ressier, L.

2015-08-01

Stripe-like compact assemblies of tin-doped indium oxide (ITO) colloidal nanocrystals (NCs) are fabricated by stop-and-go convective self-assembly (CSA). Systematic evaluation of the electron transport mechanisms in these systems is carried out by varying the length of carboxylate ligands protecting the NCs: butanoate (C4), octanoate (C8) and oleate (C18). The interparticle edge-to-edge distance L0, along with a number of carbon atoms in the alkyl chain of the coating ligand, are deduced from small-angle x-ray scattering (SAXS) measurements and exhibit a linear relationship with a slope of 0.11 nm per carbon pair unit. Temperature-dependent resistance characteristics are analyzed using several electron transport models: Efros-Shklovskii variable range hopping (ES-VRH), inelastic cotunneling (IC), regular island array and percolation. The analysis indicated that the first two models (ES-VRH and IC) fail to explain the observed behavior, and that only simple activated transport takes place in these systems under the experimental conditions studied (T = 300 K to 77 K). Related transport parameters were then extracted using the regular island array and percolation models. The effective tunneling decay constant βeff of the ligands and the Coulomb charging energy EC are found to be around 5.5 nm-1 and 25 meV, respectively, irrespective of ligand lengths. The theoretical tunneling decay constant β calculated using the percolation model is in the range 9 nm-1. Electromechanical tests on the ITO nanoparticle assemblies indicate that their sensitivities are as high as ˜30 and remain the same regardless of ligand lengths, which is in agreement with the constant effective βeff extracted from regular island array and percolation models.

Effective Half-Life of Caesium-137 in Various Environmental Media at the Savannah River Site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paller, M. H.; Jannik, G. T.; Baker, R. A.

2014-05-01

During the operational history of the Savannah River Site (SRS), many different radionuclides have been released from site facilities into the SRS environment. However, only a relatively small number of pathways, most importantly 137Cs in fish and deer, have contributed significantly to doses and risks to the public. The “effective” half-lives (T e) of 137Cs (which include both physical decay and environmental dispersion) in Savannah River floodplain soil and vegetation and in fish and white-tailed deer from the SRS were estimated using long-term monitoring data. For 1974–2011, the T es of 137Cs in Savannah River floodplain soil and vegetation weremore » 17.0 years (95% CI = 14.2–19.9) and 13.4 years (95% CI = 10.8–16.0), respectively. These T es were greater than in a previous study that used data collected only through 2005 as a likely result of changes in the flood regime of the Savannah River. Field analyses of 137Cs concentrations in deer collected during yearly controlled hunts at the SRS indicated an overall T e of 15.9 years (95% CI = 12.3–19.6) for 1965–2011; however, the T e for 1990–2011 was significantly shorter (11.8 years, 95% CI = 4.8–18.8) due to an increase in the rate of 137Cs removal. The shortest T es were for fish in SRS streams and the Savannah River (3.5–9.0 years), where dilution and dispersal resulted in rapid 137Cs removal. Long-term data show that T es are significantly shorter than the physical half-life of 137Cs in the SRS environment but that they can change over time. Therefore, it is desirable have a long period of record for calculating Tes and risky to extrapolate T es beyond this period unless the processes governing 137Cs removal are clearly understood.« less

Design, construction and evaluation of a 12.045 GHz, 2.0 kW-cw permanent-magnet focused klystron amplifier

NASA Technical Reports Server (NTRS)

Nishida, J. M.

1975-01-01

An analytical and experimental program to demonstrate the technical feasibility of a lightweight, high-efficiency, 1-2 kW cw, permanent magnet focused klystron operating at 12.0 GHz was described. The design is based on use of a samarium-cobalt permanent magnet for focusing of the electron beam and choice of the most optimum parameters for maximum efficiency. A filter-loaded output circuit is used for the required bandwidth. The design incorporates a collector which is demountable from the tube to facilitate multistage depressed collector experiments, permitting replacement with a NASA-designed axisymmetric, electrostatic collector for linear beam microwave tubes. A further requirement is that the focusing field between the last interaction gap and the collector decay in a prescribed manner referred to as adiabatic expansion.

Storing keV negative ions for an hour: the lifetime of the metastable ^(2)P((1/2)^(o)) level in ^(32)S^(-).

PubMed

Bäckström, E; Hanstorp, D; Hole, O M; Kaminska, M; Nascimento, R F; Blom, M; Björkhage, M; Källberg, A; Löfgren, P; Reinhed, P; Rosén, S; Simonsson, A; Thomas, R D; Mannervik, S; Schmidt, H T; Cederquist, H

2015-04-10

We use a novel electrostatic ion storage ring to measure the radiative lifetime of the upper level in the 3p^{5} ^{2}P_{1/2}^{o}→3p^{5} ^{2}P_{3/2}^{o} spontaneous radiative decay in ^{32}S^{-} to be 503±54  sec. This is by orders of magnitude the longest lifetime ever measured in a negatively charged ion. Cryogenic cooling of the storage ring gives a residual-gas pressure of a few times 10^{-14} mbar at 13 K and storage of 10 keV sulfur anions for more than an hour. Our experimental results differ by 1.3σ from the only available theoretical prediction [P. Andersson et al., Phys. Rev. A 73, 032705 (2006)].

Radiation protection considerations along a radioactive ion beam transport line

NASA Astrophysics Data System (ADS)

Sarchiapone, Lucia; Zafiropoulos, Demetre

2016-09-01

The goal of the SPES project is to produce accelerated radioactive ion beams for Physics studies at “Laboratori Nazionali di Legnaro” (INFN, Italy). This accelerator complex is scheduled to be built by 2016 for an effective operation in 2017. Radioactive species are produced in a uranium carbide target, by the interaction of 200 μA of protons at 40 MeV. All of the ionized species in the 1+ state come out of the target (ISOL method), and pass through a Wien filter for a first selection and an HMRS (high mass resolution spectrometer). Then they are transported by an electrostatic beam line toward a charge state breeder (where the 1+ to n+ multi-ionization takes place) before selection and reacceleration at the already existing superconducting linac. The work concerning dose evaluations, activation calculation, and radiation protection constraints related to the transport of the radioactive ion beam (RIB) from the target to the mass separator will be described in this paper. The FLUKA code has been used as tool for those calculations needing Monte Carlo simulations, in particular for the evaluation of the dose rate due to the presence of the radioactive beam in the selection/interaction points. The time evolution of a radionuclide inventory can be computed online with FLUKA for arbitrary irradiation profiles and decay times. The activity evolution is analytically evaluated through the implementation of the Bateman equations. Furthermore, the generation and transport of decay radiation (limited to gamma, beta- and beta+ emissions) is possible, referring to a dedicated database of decay emissions using mostly information obtained from NNDC, sometimes supplemented with other data and checked for consistency. When the use of Monte Carlo simulations was not feasible, the Bateman equations, or possible simplifications, have been used directly.

Impact of dental orientation given to mothers during pregnancy on oral health of their children.

PubMed

Rigo, Lilian; Dalazen, Jaqueline; Garbin, Raíssa Rigo

2016-01-01

To analyze the perception of mothers about oral health of their children, as well as to check the influence of demographic variables, perception and preventive practice in oral health of mothers regarding guidance received during pregnancy. Quantitative and cross-sectional field study, with a non-probability sample formed by all mothers who attended the primary healthcare unit of Ijuí (RS), Brazil, from January to July 2014, comprising a sample of 79 women. Self-applied questionnaires were given to these mothers. Data analysis was carried out using descriptive and inferential statistics, the χ2 test at a significance level of 5%. The mothers who received dental orientation during pregnancy had greater perception of oral health of their children. The mean age of mothers was 26 years, most of them attended high school education (32.9%) and worked outside the home (60.8%). There was a statistically significant relation between the outcome variable, dental orientation during pregnancy, and the independent variables: schooling level of mothers, occupation, baby's first visit to the dentist, duration of breastfeeding, beginning of baby's tooth brushing and knowledge about dental decay (p<0.005). Mothers with higher schooling levels and who worked outside the home had more knowledge about oral care, because they received dental orientation during pregnancy. The dental guidance during pregnancy influences the mother in the procedures adopted with their children, as to early oral hygiene, first dentist appointment, duration of breastfeeding, knowledge about the factors that lead to dental decay. Analisar a percepção das mães em relação à saúde bucal de seus filhos, bem como verificar a influência das variáveis demográficas, de percepção e prática preventiva em saúde bucal das mães, na orientação odontológica recebida durante a gestação. Pesquisa de campo com abordagem quantitativa e delineamento transversal. A amostragem foi não probabilística com todas as mães que frequentaram o posto de saúde do município de Ijuí (RS), de janeiro a julho de 2014, compondo uma amostra de 79 mulheres. Foram distribuídos questionários autoaplicativos às mães participantes da pesquisa. A análise dos dados foi feita através de estatística descritiva e inferencial, pelo teste do χ2 com nível de significância de 5%. Mães que receberam orientação odontológica durante a gestação tiveram maior percepção sobre a saúde bucal de seus filhos. A média de idade das mães foi 26 anos, e a maioria delas frequentou o ensino médio completo (32,9%) e trabalhava fora de casa (60,8%). Houve uma relação estatisticamente significativa entre a variável desfecho, orientação odontológica durante a gestação e as variáveis independentes: escolaridade das mães, ocupação, primeira visita do bebê ao dentista, tempo de amamentação natural, início da escovação do bebê e conhecimento sobre a cárie dentária (p<0,005). As mães com maior nível de escolaridade e que trabalhavam fora de casa tinham mais conhecimento sobre atenção odontológica, pois receberam orientação odontológica na gestação. A orientação odontológica recebida na gestação influencia as mães nos procedimentos adotados com seus filhos, em relação ao início da higienização bucal, primeira consulta ao dentista, tempo de amamentação, o conhecimento sobre os fatores que levam ao aparecimento da cárie dentária.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nesaraja, C.D.

Available information pertaining to the nuclear structure of all nuclei with mass numbers A=247 is presented. Various decay and reaction data are evaluated and compared. Adopted data, levels, spin, parity and configuration assignments are given. When there are insufficient data, expected values from systematics of nuclear properties or/and theoretical calculations are quoted. Unexpected or discrepant experimental results are also noted. A summary and compilation of the discovery of various isotopes in this mass region is given in 2013Fr02 ({sup 247}Pu, {sup 247}Am, {sup 247}Cm, {sup 243}Bk, {sup 247}Cf), 2011Me01 ({sup 247}Es), and 2013Th02 ({sup 247}Fm, {sup 247}Md)

Nuclear Data Sheets for A=243

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nesaraja, Caroline D; McCutchan, Elizabeth A.

2014-09-30

We present available information pertaining to the nuclear structure of all nuclei with mass numbers A=243. Various decay and reaction data are evaluated and compared. Adopted data, levels, spin, parity and configuration assignments are given. When there are insufficient data, expected values from systematics of nuclear properties or/and theoretical calculations are quoted. Unexpected or discrepant experimental results are also noted. A summary and compilation of the discovery of various isotopes in this mass region is given in 2013Fr02 ( 243Np, 243Pu, 243Am, 243Cm, 243Bk, and 243Cf), 2011Me01 ( 243Es), and 2013Th02 ( 243Fm).

PCE: web tools to compute protein continuum electrostatics

PubMed Central

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

Systematic study of magnetar outbursts

NASA Astrophysics Data System (ADS)

Coti Zelati, Francesco; Rea, Nanda; Pons, José A.; Campana, Sergio; Esposito, Paolo

2018-02-01

We present the results of the systematic study of all magnetar outbursts observed to date, through a reanalysis of data acquired in about 1100 X-ray observations. We track the temporal evolution of the outbursts' soft X-ray spectral properties and the luminosities of the single spectral components as well as of the total emission. We model empirically all outburst light curves, and estimate the characteristic decay time-scales as well as the energetics involved. We investigate the link between different parameters (e.g. the luminosity at the peak of the outburst and in quiescence, the maximum luminosity increase, the decay time-scale and energy of the outburst, the neutron star surface dipolar magnetic field and characteristic age, etc.), and unveil several correlations among these quantities. We discuss our results in the context of the internal crustal heating and twisted bundle models for magnetar outbursts. This study is complemented by the Magnetar Outburst Online Catalogue (http://magnetars.ice.csic.es), an interactive data base where the user can plot any combination of the parameters derived in this work, and download all data.

Simulation of background from low-level tritium and radon emanation in the KATRIN spectrometers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leiber, B.; Collaboration: KATRIN Collaboration

The KArlsruhe TRItium Neutrino (KATRIN) experiment is a large-scale experiment for the model independent determination of the mass of electron anti-neutrinos with a sensitivity of 200 meV/c{sup 2}. It investigates the kinematics of electrons from tritium beta decay close to the endpoint of the energy spectrum at 18.6 keV. To achieve a good signal to background ratio at the endpoint, a low background rate below 10{sup −2} counts per second is required. The KATRIN setup thus consists of a high luminosity windowless gaseous tritium source (WGTS), a magnetic electron transport system with differential and cryogenic pumping for tritium retention, andmore » electro-static retarding spectrometers (pre-spectrometer and main spectrometer) for energy analysis, followed by a segmented detector system for counting transmitted beta-electrons. A major source of background comes from magnetically trapped electrons in the main spectrometer (vacuum vessel: 1240 m{sup 3}, 10{sup −11} mbar) produced by nuclear decays in the magnetic flux tube of the spectrometer. Major contributions are expected from short-lived radon isotopes and tritium. Primary electrons, originating from these decays, can be trapped for hours, until having lost almost all their energy through inelastic scattering on residual gas particles. Depending on the initial energy of the primary electron, up to hundreds of low energetic secondary electrons can be produced. Leaving the spectrometer, these electrons will contribute to the background rate. This contribution describes results from simulations for the various background sources. Decays of {sup 219}Rn, emanating from the main vacuum pump, and tritium from the WGTS that reaches the spectrometers are expected to account for most of the background. As a result of the radon alpha decay, electrons are emitted through various processes, such as shake-off, internal conversion and the Auger deexcitations. The corresponding simulations were done using the KASSIOPEIA framework, which has been developed for the KATRIN experiment for low-energy electron tracking, field calculation and detector simulation. The results of the simulations have been used to optimize the design parameters of the vacuum system with regard to radon emanation and tritium pumping, in order to reach the stringent requirements of the neutrino mass measurement.« less

Thermal Electron Contributions to Current-Driven Instabilities: SCIFER Observations in the 1400-km Cleft Ion Fountain and Their Implications to Thermal Ion Energization

NASA Technical Reports Server (NTRS)

Adrian, Mark L.; Pollock, C. J.; Moore, T. E.; Kintner, P. M.; Arnoldy, R. L.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

SCIFER TECHS observations of the variations in the thermal electron distribution in the 1400-km altitude cleft are associated with periods of intense ion heating and field-aligned currents. Energization of the thermal ion plasma in the mid-altitude cleft occurs within density cavities accompanied by enhanced thermal electron temperatures, large field-aligned thermal electron plasma flows and broadband low-frequency electric fields. Variations in the thermal electron contribution to field-aligned current densities indicate small scale (approximately 100's m) filamentary structure embedded within the ion energization periods. TECHS observations of the field-aligned drift velocities and temperatures of the thermal electron distribution are presented to evaluate the critical velocity thresholds necessary for the generation of electrostatic ion cyclotron and ion acoustic instabilities. This analysis suggests that, during periods of thermal ion energization, sufficient drift exists in the thermal electron distribution to excite the electrostatic ion cyclotron instability. In addition, brief periods exist within the same interval where the drift of the thermal electron distribution is sufficient to marginally excite the ion acoustic instability. In addition, the presence an enhancement in Langmuir emission at the plasma frequency at the center of the ion energization region, accompanied by the emission's second-harmonic, and collocated with observations of high-frequency electric field solitary structures suggest the presence of electron beam driven decay of Langmuir waves to ion acoustic modes as an additional free energy source for ion energization.

Systematization of α-decaying nuclei based on shell structures: The case of odd-even and odd-odd nuclei

NASA Astrophysics Data System (ADS)

Yarman, Tolga; Zaim, Nimet; Yarman, Ozan; Kholmetskii, Alexander; Arık, Metin

In previous studies, we provided a novel systematization of α-decaying even-even and even-odd nuclei starting with the classically adopted mechanism [T. Yarman et al., Eur. Phys. J. A 52 (2016) 140; Eur. Phys. J. A 53 (2017) 4]. Knowing beforehand the measured decay half-life, we had taken as a parameter the probability of the α-particle as being first born in a unit period of time, within the parent nucleus before it is emitted out. We thence developed a scaffold based on shell properties of families composed of “alike nuclei”. Along the same line, we now present a systematization of odd-even (OE) as well as odd-odd (OO) nuclei. We apply our approach further to the investigation of the effect of pairing (e.g., the effect when the number of nucleons is increased by one neutron), and that of unpairing (e.g., the effect when the number of nucleons is decreased by one neutron); thus it becomes an even number for the case of odd-even nuclei (Case OE), and an odd number in the case of odd-odd nuclei (Case OO). For the first case (OE), we pick the exemplar set 161Re, 217Fr, 243Bk, 263Db; where we delineate by, respectively, Re, Fr, Bk, and Db all of the odd-even or odd-odd isotopes that neighbor the four mentioned odd-even isotopes on the proposed scaffold. We proceed in the same way for the second case (OO). Thus, we choose the exemplar set of odd-odd nuclei 172Ir, 218Ac, 244Es. We then gather all of the Ir, Ac, and Es odd-odd and odd-even isotopes that neighbor the three mentioned odd-odd isotopes on the proposed scaffold. We show that, in the former case, pairing, as expected, generally increases stability of the given nucleus; and in the latter case, unpairing works in just the opposite direction — i.e., it generally increases instability. We disclose “stability peaks” versus Z for both sets of nuclei, we tackle here. Furthermore, we present a study to highlight an outlook of “odd-A nuclei” at hand. Contrary to the general expectation, we unveil no systematic on that.

Improvement of polypyrrole nanowire devices by plasmonic space charge generation: high photocurrent and wide spectral response by Ag nanoparticle decoration.

PubMed

Lee, S-H; Bae, J; Lee, S W; Jang, J-W

2015-11-07

In this study, improvement of the opto-electronic properties of non-single crystallized nanowire devices with space charges generated by localized surface plasmon resonance (LSPR) is demonstrated. The photocurrent and spectral response of single polypyrrole (PPy) nanowire (NW) devices are increased by electrostatically attached Ag nanoparticles (Ag NPs). To take advantage of plasmon-exciton coupling in the photocurrent of the device, 80 nm of Ag NPs (454 nm = λmax) were chosen for matching the maximum absorption with PPy NWs (442 nm = λmax). The photocurrent density is remarkably improved, up to 25.3 times (2530%), by the Ag NP decoration onto the PPy NW (PPyAgNPs NW) under blue light (λ = 425-475 nm) illumination. In addition, the PPyAgNPs NW shows a photocurrent decay time twice that of PPy NW, as well as an improved spectral response of the photocurrent. The improved photocurrent efficiency, decay time, and spectral response resulted from the space charges generated by the LSPR of Ag NPs. Furthermore, the increasing exponent (m) of the photocurrent (JPC ∼ V(m)) and finite-differential time domain (FDTD) simulation straightforwardly indicate relatively large plasmonic space charge generation under blue light illumination. These results prove that the performance of non-single crystallized polymer nanowire devices can also be improved by plasmonic enhancement.

A comparative study of photoconductivity in LaTiO3/SrTiO3 and LaAlO3/SrTiO3 2-DEG heterostructures

NASA Astrophysics Data System (ADS)

Rastogi, A.; Hossain, Z.; Budhani, R. C.

2013-02-01

Here we compare the growth temperature dependence of the response of LaTiO3/SrTiO3 and LaAlO3/SrTiO3 2D-electron gas (2-DEG) field effect structure to the optical radiation of near ultraviolet frequency and electrostatic gate field. For both the films the resistance of the channel increases significantly as growth temperature is lowered from 800 to 700 °C. These heterostructures show the photoconductivity (PC) simulated by UV light of λ ≤ 400 nm. The PC follows the stretched exponential dynamics. It is found that photo-response of the LaTiO3 films is prominent and has larger decay time constant as compare to LaAlO3 films. The effect of electric field on the photo-induced conducting state is also studied.

Magneto-optical trapping of potassium isotopes

NASA Astrophysics Data System (ADS)

Williamson, Robert Sylvester, III

1997-12-01

We have demonstrated a magneto-optical trap (scMOT) suitable for capturing radioactive potassium produced on- line with the UW-Madison 12MeV tandem electrostatic accelerator. To do this, we made and characterized the first scMOT for potassium, measured the potassium ultracold collision rate, and developed a numerical trap- loading rate model that makes useful quantitative predictions. We have created a cold beam of collimated potassium atoms using a pyramidal magneto-optical funnel and used it to load a long-lifetime scMOT operating at ultrahigh vacuum. We have also built a target that produces a beam of radioactive 37K and 38K and coupled it to the magneto-optical funnel and trap. Once a trap of radioactive 38K has been demonstrated, the primary goal of this project is to measure the beta-asymmetry parameter in the decay of 38K, performing a sensitive test of the Standard Model of weak interactions.

Stair-Step Particle Flux Spectra on the Lunar Surface: Evidence for Nonmonotonic Potentials?

NASA Technical Reports Server (NTRS)

Collier, Michael R.; Newheart, Anastasia; Poppe, Andrew R.; Hills, H. Kent; Farrell, William M.

2016-01-01

We present examples of unusual "stair-step" differential flux spectra observed by the Apollo 14 Suprathermal Ion Detector Experiment on the lunar dayside surface in Earth's magnetotail. These spectra exhibit a relatively constant differential flux below some cutoff energy and then drop off precipitously, by about an order of magnitude or more, at higher energies. We propose that these spectra result from photoions accelerated on the lunar dayside by nonmonotonic potentials (i.e.,potentials that do not decay to zero monotonically) and present a model for the expected differential flux. The energy of the cutoff and the magnitude of the differential flux are related to the properties of the local space environment and are consistent with the observed flux spectra. If this interpretation is correct, these surface-based ion observations provide a unique perspective that both complements and enhances the conclusions obtained by remote-sensing orbiter observations on the Moon's exospheric and electrostatic properties.

The Muon g-2 Experiment overview and status as of June 2016

DOE PAGES

Holzbauer, J. L.

2016-12-09

The Muon g-2 Experiment at Fermilab will measure the anomalous magnetic moment of the muon to a precision of 140 parts per billion, which is a factor of four improvement over the previous E821 measurement at Brookhaven. The experiment will also extend the search for the electric dipole moment (EDM) of the muon by approximately two orders of magnitude, with a sensitivity down to 10 -21 e.cm. Both of these measurements are made by combining a precise measurement of the 1.45T storage ring magnetic field with an analysis of the modulation of the decay rate of higher-energy positrons (from anti-muons),more » recorded by 24 calorimeters and 3 straw tracking detectors. Furthermore, the recent progress in the alignment of the electrostatic quadrapole plates and the trolley rails inside the vacuum chambers, and in establishing the uniform storage ring magnetic field will be described.« less

Measurement of the^ 235U(n,n')^235mU Integral Cross Section in a Pulsed Reactor

NASA Astrophysics Data System (ADS)

Vieira, D. J.; Bond, E. M.; Belier, G.; Meot, V.; Becker, J. A.; Macri, R. A.; Authier, N.; Hyneck, D.; Jacquet, X.; Jansen, Y.; Legrendre, J.

2009-10-01

We will present the integral measurement of the neutron inelastic cross section of ^235U leading to the 26-minute, E*=76.5 eV isomer state. Small samples (5-20 microgm) of isotope-enriched ^235U were activated in the central cavity of the CALIBAN pulsed reactor at Valduc where a nearly pure fission neutron spectrum is produced with a typical fluence of 3x10^14 n/cm^2. After 30 minutes the samples were removed from the reactor and counted in an electrostatic-deflecting electron spectrometer that was optimized for the detection of ^235mU conversion electrons. From the decay curve analysis of the data, the 26-minute ^235mU component was extracted. Preliminary results will be given and compared to gamma-cascade calculations assuming complete K-mixing or with no K-mixing.

Long-Range Interaction Forces between Polymer-Supported Lipid Bilayer Membranes

PubMed Central

Seitz, Markus; Park, Chad K.; Wong, Joyce Y.

2009-01-01

Much of the short-range forces and structures of softly supported DMPC bilayers has been described previously. However, one interesting feature of the measured force–distance profile that remained unexplained is the presence of a long-range exponentially decaying repulsive force that is not observed between rigidly supported bilayers on solid mica substrate surfaces. This observation is discussed in detail here based on recent static and dynamic surface force experiments. The repulsive forces in the intermediate distance regime (mica–mica separations from 15 to 40 nm) are shown to be due not to an electrostatic force between the bilayers but to compression (deswelling) of the underlying soft polyelectrolyte layer, which may be thought of as a model cytoskeleton. The experimental data can be fit by simple theoretical models of polymer interactions from which the elastic properties of the polymer layer can be deduced. PMID:21359166

Nuclear isomer suitable for gamma ray laser

NASA Technical Reports Server (NTRS)

Jha, S.

1979-01-01

The operation of gamma ray lasers (gasers) are studied. It is assumed that the nuclear isomers mentioned in previously published papers have inherent limitations. It is further assumed that the judicious use of Bormann effect or the application of the total external reflection of low energy gamma radiation at grazing angle of incidence may permit the use of a gaser crystal sufficiently long to achieve observable stimulated emission. It is suggested that a long lived 0(+) isomer decaying by low energy gamma ray emission to a short lived 2(+) excited nuclear state would be an attractive gaser candidate. It is also suggested that the nuclear isomer be incorporated in a matrix of refractory material having an electrostatic field gradient whose principal axis lies along the length of the medium. This results in the preferential transmission of electric quadrupole radiation along the length of the medium.

The Muon g-2 Experiment Overview and Status as of June 2016

NASA Astrophysics Data System (ADS)

Holzbauer, J.

2016-11-01

The Muon g-2 Experiment at Fermilab will measure the anomalous magnetic moment of the muon to a precision of 140 parts per billion, which is a factor of four improvement over the previous E821 measurement at Brookhaven. The experiment will also extend the search for the electric dipole moment (EDM) of the muon by approximately two orders of magnitude, with a sensitivity down to 10-21 e.cm. Both of these measurements are made by combining a precise measurement of the 1.45T storage ring magnetic field with an analysis of the modulation of the decay rate of higher-energy positrons (from anti-muons), recorded by 24 calorimeters and 3 straw tracking detectors. The recent progress in the alignment of the electrostatic quadrapole plates and the trolley rails inside the vacuum chambers, and in establishing the uniform storage ring magnetic field will be described.

Molecular dynamics simulations of polarizable DNA in crystal environment

NASA Astrophysics Data System (ADS)

Babin, Volodymyr; Baucom, Jason; Darden, Thomas A.; Sagui, Celeste

We have investigated the role of the electrostatic description and cell environment in molecular dynamics (MD) simulations of DNA. Multiple unrestrained MD simulations of the DNA duplex d(CCAACGTTGG)2 have been carried out using two different force fields: a traditional description based on atomic point charges and a polarizable force field. For the time scales probed, and given the ?right? distribution of divalent ions, the latter performs better than the nonpolarizable force field. In particular, by imposing the experimental unit cell environment, an initial configuration with ideal B-DNA duplexes in the unit cell acquires sequence-dependent features that very closely resemble the crystallographic ones. Simultaneously, the all-atom root-mean-square coordinates deviation (RMSD) with respect to the crystallographic structure is seen to decay. At later times, the polarizable force field is able to maintain this lower RMSD, while the nonpolarizable force field starts to drift away.

Compact electrostatic comb actuator

DOEpatents

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).

Fine structure in plasma waves and radiation near the plasma frequency in Earth's foreshock

NASA Technical Reports Server (NTRS)

Cairns, Iver H.

1994-01-01

Novel observations are presented of intrunsic fine structure in the frequency spectrum of electomagnetic (EM) radiation and plasma waves near the electron plasma frequency f(sub p) during a period of unusually high interplanetary magnetic field strength. Measured using the wideband receiver on the International Sun-Earth Explorer (ISEE) 1 spacecraft, fine-structured emissions are observed both in the solar wind and the foreshock, The fine structure is shown to correspond to emissions spaced above f(sub p) near half harmonies of the electon cyclotron frequency f(sub ce), i.e., near f(sub p) + nf(sub ce)/2. These appear to be the first space physics observations of emissions spaced by f(sub ce)/2. Indirect but strong arguments are used to discriminate between EM and electrostatic (ES) signals, to identify whether ISEE 1 is in the solar wind or the foreshock, and to determine the relative frequencies of the emissions and the local f(sub p). The data are consistent with generation of the ES and EM emissions in the foreshock, with subsequent propagation of the EM emissions into the solar wind. It remains possible that some emissions currently identified as ES have significant EM character. The ES and EM emisions often merge into one another with minimal changes in frequency, arguing that their source regions and generation mechanisms are related and imposing significant constraints on theories. The f(sub ce)/2 ES and EM fine structures observed may be intrinsic to the emission mechanisms or to superposition of two series of signals with f(sub ce) spacing that differ in starting frequency by f(sub ce)/2. Present theories for nonlinear wave coupling processes, cyclotron maser emission, and other linear instability processes are all unable to explain multiple EM and/or ES components spaced by approximately f(sub ce)/2 above f(sub p) for f(sub p)/f(sub ce) much greater than 1 and typical for shock beams parameters. Suitable avenues for further theoretical research are identified. Empirically, the observed fine structures appear very similar to those in split bnad and multiple-lane type II solar radio bursts; interpretation of both these type II fine structures in terms of f(sub ce)/2 splitting is suggested, thereby supporting and generalizing a suggestion by Wild (1950). A possible application to continuum radiation is mentioned. The ubiquity of these fine structures in the Earth's f(sub p) radiation and foreshock waves remains unknown. Only the ISEE 1 wideband receiver has sufficient frequency resolution (approximately less than or equal to 100 Hz) to perform a dedicated search. Further study of the ubiquity of these fine structures, of how reliably the splitting corresponds to f(sub ce)/2, and of the other interpretations above is necessary.

Electrostatically screened, voltage-controlled electrostatic chuck

DOEpatents

Klebanoff, Leonard Elliott

2001-01-01

Employing an electrostatically screened, voltage-controlled electrostatic chuck particularly suited for holding wafers and masks in sub-atmospheric operations will significantly reduce the likelihood of contaminant deposition on the substrates. The electrostatic chuck includes (1) an insulator block having a outer perimeter and a planar surface adapted to support the substrate and comprising at least one electrode (typically a pair of electrodes that are embedded in the insulator block), (2) a source of voltage that is connected to the at least one electrode, (3) a support base to which the insulator block is attached, and (4) a primary electrostatic shield ring member that is positioned around the outer perimeter of the insulator block. The electrostatic chuck permits control of the voltage of the lithographic substrate; in addition, it provides electrostatic shielding of the stray electric fields issuing from the sides of the electrostatic chuck. The shielding effectively prevents electric fields from wrapping around to the upper or front surface of the substrate, thereby eliminating electrostatic particle deposition.

The electrospray: Fundamentals and combustion applications

NASA Technical Reports Server (NTRS)

Gomez, Alessandro

1993-01-01

Liquid fuel dispersion in practical systems is typically achieved by spraying the fuel into a polydisperse distribution of droplets evaporating and burning in a turbulent gaseous environment. In view of the nearly unsurmountable difficulties of this two-phase flow, it would be useful to use an experimental arrangement that allow a systematic study of spray evolution and burning in configurations of gradually increasing levels of complexity, starting from laminar sprays to fully turbulent ones. An Electrostatic Spray (ES) of charged droplets lends itself to this type of combustion experiments under well-defined conditions and can be used to synthesize gradually more complex spray environments. In its simplest configuration, a liquid is fed into a small metal tube maintained at several kilovolts relative to a ground electrode few centimeters away. Under the action of the electric field, the liquid meniscus at the outlet of the capillary takes a conical shape, with a thin jet emerging from the cone tip. This jet breaks up farther downstream into a fine spray of charged droplets. Several advantages distinguish the electrospray from alternative atomization techniques: the self-dispersion property of the spray due to coulombic repulsion; the absence of droplet coalescence; the potential control of the trajectories of charged droplets by suitable disposition of electrostatic fields; and the decoupling of atomization, which is strictly electrostatic, from gas flow processes. Furthermore, as recently shown in our laboratory, the electrospray can produce quasi-monodisperse droplets over a very broad size range (1-100 microns). The ultimate objective of this research project is to study the formation and burning of electrosprays of liquid fuels first in laminar regimes and then in turbulent ones. Combustion will eventually be investigated in conditions of three-dimensional droplet-droplet interaction, for which experimental studies have been limited to either qualitative observations in sprays or more quantitative observations on simplified systems consisting of a small number of droplets or droplet arrays. The compactness and potential controllability of this spray generaiton system makes it appealing for studies to be undertaken in the next two years on electrospray combustion in reduced-gravity environments such as those achievable at NASA microgravity test facilities.

Study on the shrinkage behavior and conductivity of silver microwires during electrostatic field assisted sintering

NASA Astrophysics Data System (ADS)

Shangguan, Lei; Ma, Liuhong; Li, Mengke; Peng, Wei; Zhong, Yinghui; Su, Yufeng; Duan, Zhiyong

2018-05-01

An electrostatic field was applied to sintering Ag microwires to achieve a more compact structure and better conductivity. The shrinkage behavior of Ag microwires shows anisotropy, since bigger particle sizes, less micropores and smoother surfaces were observed in the direction of the electrostatic field in comparsion with the direction perpendicular to the electrostatic field, and the shrinkage rate of Ag microwires in the direction of electrostatic field improves about 2.4% with the electrostatic field intensity of 800 V cm‑1. The electrostatic field assisted sintering model of Ag microwires is proposed according to thermal diffuse dynamics analysis and experimental research. Moreover, the grain size of Ag microwres sintered with electrostatic field increases with the electrostatic field intensity and reaches 113 nm when the electrostatic field intensity is 800 V cm‑1, and the resistivity decreases to 2.07  ×  10‑8 Ω m as well. This method may overcome the restriction of metal wires which fabricated by the pseudoplastic metal nanoparticle fluid and be used as interconnects in nanoimprint lithography.

The role of particle-to-cell interactions in dictating nanoparticle aided magnetophoretic separation of microalgal cells.

PubMed

Toh, Pey Yi; Ng, Bee Wah; Ahmad, Abdul Latif; Chieh, Derek Chan Juinn; Lim, JitKang

2014-11-07

Successful application of a magnetophoretic separation technique for harvesting biological cells often relies on the need to tag the cells with magnetic nanoparticles. This study investigates the underlying principle behind the attachment of iron oxide nanoparticles (IONPs) onto microalgal cells, Chlorella sp. and Nannochloropsis sp., in both freshwater and seawater, by taking into account the contributions of various colloidal forces involved. The complex interplay between van der Waals (vdW), electrostatic (ES) and Lewis acid-base interactions (AB) in dictating IONP attachment was studied under the framework of extended Derjaguin-Landau-Verwey-Overbeek (XDLVO) analysis. Our results showed that ES interaction plays an important role in determining the net interaction between the Chlorella sp. cells and IONPs in freshwater, while the AB and vdW interactions play a more dominant role in dictating the net particle-to-cell interaction in high ionic strength media (≥100 mM NaCl), such as seawater. XDLVO predicted effective attachment between cells and surface functionalized IONPs (SF-IONPs) with an estimated secondary minimum of -3.12 kT in freshwater. This prediction is in accordance with the experimental observation in which 98.89% of cells can be magnetophoretically separated from freshwater with SF-IONPs. We have observed successful magnetophoretic separation of microalgal cells from freshwater and/or seawater for all the cases as long as XDLVO analysis predicts particle attachment. For both the conditions, no pH adjustment is required for particle-to-cell attachment.

Einsteinium

NASA Astrophysics Data System (ADS)

Haire, Richard G.

The discovery of einsteinium, element 99, came about during the analyses of nuclear products produced in and then recovered from test debris following a thermonuclear explosion (weapon test device, ‘Mike', November 1952) at Eniwetok Atoll in the Pacific Ocean. The uranium present in this device was subjected to a very intense neutron flux (integrated fluence of about 1024neutrons) in an extremely short time frame (few nanoseconds), which allowed a large number of multiple neutron captures with a minimal degree of decay of the products formed. Nuclei were formed with usually high neutron/proton ratios (very ‘heavy' uranium isotopes), which then rapidly beta-decayed into new, transuranium isotopes through element 100. Scientists from several U.S. Government laboratories separated and analyzed extensively the debris samplings in the following weeks. From these investigations came the discovery and identification of einsteinium and fermium. The first element was named in honor of Albert Einstein, and assigned the symbol, E (later changed to the current symbol, Es). Additional details and discussions about the discovery of this element and the scientists involved are given in several references (Thompson et al., 1954; Ghiorso et al., 1955; Fields et al., 1956; Hyde et al., 1964; Seaborg and Loveland, 1990).

Utility of Higher Harmonics in Electrospray Ionization Fourier Transform Electrostatic Linear Ion Trap Mass Spectrometry.

PubMed

Dziekonski, Eric T; Johnson, Joshua T; McLuckey, Scott A

2017-04-18

Mass resolution (M/ΔM fwhm) is observed to linearly increase with harmonic order in a Fourier transform electrostatic linear ion trap (ELIT) mass spectrometer. This behavior was predicted by Grosshans and Marshall for frequency-multiple detection in a Fourier transform ion cyclotron resonance mass spectrometer only for situations when the prominent mechanism for signal decay is ion ejection from the trap. As the analyzer pressure in our ELIT chamber is relatively high, such that collisional scattering and collision-induced dissociation are expected to underlie much of the ion loss, we sought to explore the relationship between harmonic order and mass resolution. Mass resolutions of 36 900 (fundamental), 75 850 (2nd harmonic), and 108 200 (3rd harmonic) were obtained for GdO + (avg. m/z 173.919) with a transient length of 300 ms. To demonstrate that the mass resolution was truly increasing with harmonic order, the unresolved isotopes at the fundamental distribution of cytochrome c +8 (m/z ∼ 1549) were nearly baseline, resolved at the third harmonic (mass resolution ≈ 23 000) with a transient length of only 200 ms. This experiment demonstrates that, when the ion density is sufficiently low, ions with frequency differences of less than 4 Hz remain uncoalesced. Higher harmonics can be used to increase the effective mass resolution for a fixed transient length and thereby may enable the resolution of closely spaced masses, determination of a protein ion's charge state, and study of the onset of peak coalescence when the resolution at the fundamental frequency is insufficient.

Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning

NASA Astrophysics Data System (ADS)

Bereau, Tristan; DiStasio, Robert A.; Tkatchenko, Alexandre; von Lilienfeld, O. Anatole

2018-06-01

Classical intermolecular potentials typically require an extensive parametrization procedure for any new compound considered. To do away with prior parametrization, we propose a combination of physics-based potentials with machine learning (ML), coined IPML, which is transferable across small neutral organic and biologically relevant molecules. ML models provide on-the-fly predictions for environment-dependent local atomic properties: electrostatic multipole coefficients (significant error reduction compared to previously reported), the population and decay rate of valence atomic densities, and polarizabilities across conformations and chemical compositions of H, C, N, and O atoms. These parameters enable accurate calculations of intermolecular contributions—electrostatics, charge penetration, repulsion, induction/polarization, and many-body dispersion. Unlike other potentials, this model is transferable in its ability to handle new molecules and conformations without explicit prior parametrization: All local atomic properties are predicted from ML, leaving only eight global parameters—optimized once and for all across compounds. We validate IPML on various gas-phase dimers at and away from equilibrium separation, where we obtain mean absolute errors between 0.4 and 0.7 kcal/mol for several chemically and conformationally diverse datasets representative of non-covalent interactions in biologically relevant molecules. We further focus on hydrogen-bonded complexes—essential but challenging due to their directional nature—where datasets of DNA base pairs and amino acids yield an extremely encouraging 1.4 kcal/mol error. Finally, and as a first look, we consider IPML for denser systems: water clusters, supramolecular host-guest complexes, and the benzene crystal.

Energetics and kinetics of primary charge separation in bacterial photosynthesis.

PubMed

LeBard, David N; Kapko, Vitaliy; Matyushov, Dmitry V

2008-08-21

We report the results of molecular dynamics (MD) simulations and formal modeling of the free-energy surfaces and reaction rates of primary charge separation in the reaction center of Rhodobacter sphaeroides. Two simulation protocols were used to produce MD trajectories. Standard force-field potentials were employed in the first protocol. In the second protocol, the special pair was made polarizable to reproduce a high polarizability of its photoexcited state observed by Stark spectroscopy. The charge distribution between covalent and charge-transfer states of the special pair was dynamically adjusted during the simulation run. We found from both protocols that the breadth of electrostatic fluctuations of the protein/water environment far exceeds previous estimates, resulting in about 1.6 eV reorganization energy of electron transfer in the first protocol and 2.5 eV in the second protocol. Most of these electrostatic fluctuations become dynamically frozen on the time scale of primary charge separation, resulting in much smaller solvation contributions to the activation barrier. While water dominates solvation thermodynamics on long observation times, protein emerges as the major thermal bath coupled to electron transfer on the picosecond time of the reaction. Marcus parabolas were obtained for the free-energy surfaces of electron transfer by using the first protocol, while a highly asymmetric surface was obtained in the second protocol. A nonergodic formulation of the diffusion-reaction electron-transfer kinetics has allowed us to reproduce the experimental results for both the temperature dependence of the rate and the nonexponential decay of the population of the photoexcited special pair.

Protein electrostatics: a review of the equations and methods used to model electrostatic equations in biomolecules--applications in biotechnology.

PubMed

Neves-Petersen, Maria Teresa; Petersen, Steffen B

2003-01-01

The molecular understanding of the initial interaction between a protein and, e.g., its substrate, a surface or an inhibitor is essentially an understanding of the role of electrostatics in intermolecular interactions. When studying biomolecules it is becoming increasingly evident that electrostatic interactions play a role in folding, conformational stability, enzyme activity and binding energies as well as in protein-protein interactions. In this chapter we present the key basic equations of electrostatics necessary to derive the equations used to model electrostatic interactions in biomolecules. We will also address how to solve such equations. This chapter is divided into two major sections. In the first part we will review the basic Maxwell equations of electrostatics equations called the Laws of Electrostatics that combined will result in the Poisson equation. This equation is the starting point of the Poisson-Boltzmann (PB) equation used to model electrostatic interactions in biomolecules. Concepts as electric field lines, equipotential surfaces, electrostatic energy and when can electrostatics be applied to study interactions between charges will be addressed. In the second part we will arrive at the electrostatic equations for dielectric media such as a protein. We will address the theory of dielectrics and arrive at the Poisson equation for dielectric media and at the PB equation, the main equation used to model electrostatic interactions in biomolecules (e.g., proteins, DNA). It will be shown how to compute forces and potentials in a dielectric medium. In order to solve the PB equation we will present the continuum electrostatic models, namely the Tanford-Kirkwood and the modified Tandord-Kirkwood methods. Priority will be given to finding the protonation state of proteins prior to solving the PB equation. We also present some methods that can be used to map and study the electrostatic potential distribution on the molecular surface of proteins. The combination of graphical visualisation of the electrostatic fields combined with knowledge about the location of key residues on the protein surface allows us to envision atomic models for enzyme function. Finally, we exemplify the use of some of these methods on the enzymes of the lipase family.

Investigation of Electrostatic Accelerometer in HUST for Space Science Missions

NASA Astrophysics Data System (ADS)

Bai, Yanzheng; Hu, Ming; Li, Gui; Liu, Li; Qu, Shaobo; Wu, Shuchao; Zhou, Zebing

2014-05-01

High-precision electrostatic accelerometers are significant payload in CHAMP, GRACE and GOCE gravity missions to measure the non-gravitational forces. In our group, space electrostatic accelerometer and inertial sensor based on the capacitive sensors and electrostatic control technique has been investigated for space science research in China such as testing of equivalence principle (TEPO), searching non-Newtonian force in micrometer range, satellite Earth's field recovery and so on. In our group, a capacitive position sensor with a resolution of 10-7pF/Hz1/2 and the μV/Hz1/2 level electrostatic actuator are developed. The fiber torsion pendulum facility is adopt to measure the parameters of the electrostatic controlled inertial sensor such as the resolution, and the electrostatic stiffness, the cross couple between different DOFs. Meanwhile, high voltage suspension and free fall methods are applied to verify the function of electrostatic accelerometer. Last, the engineering model of electrostatic accelerometer has been developed and tested successfully in space and preliminary results are present.

Electrostatics in protein–protein docking

PubMed Central

Heifetz, Alexander; Katchalski-Katzir, Ephraim; Eisenstein, Miriam

2002-01-01

A novel geometric-electrostatic docking algorithm is presented, which tests and quantifies the electrostatic complementarity of the molecular surfaces together with the shape complementarity. We represent each molecule to be docked as a grid of complex numbers, storing information regarding the shape of the molecule in the real part and information regarding the electrostatic character of the molecule in the imaginary part. The electrostatic descriptors are derived from the electrostatic potential of the molecule. Thus, the electrostatic character of the molecule is represented as patches of positive, neutral, or negative values. The potential for each molecule is calculated only once and stored as potential spheres adequate for exhaustive rotation/translation scans. The geometric-electrostatic docking algorithm is applied to 17 systems, starting form the structures of the unbound molecules. The results—in terms of the complementarity scores of the nearly correct solutions, their ranking in the lists of sorted solutions, and their statistical uniqueness—are compared with those of geometric docking, showing that the inclusion of electrostatic complementarity in docking is very important, in particular in docking of unbound structures. Based on our results, we formulate several "good electrostatic docking rules": The geometric-electrostatic docking procedure is more successful than geometric docking when the potential patches are large and when the potential extends away from the molecular surface and protrudes into the solvent. In contrast, geometric docking is recommended when the electrostatic potential around the molecules to be docked appears homogenous, that is, with a similar sign all around the molecule. PMID:11847280

Electrostatic potential map modelling with COSY Infinity

NASA Astrophysics Data System (ADS)

Maloney, J. A.; Baartman, R.; Planche, T.; Saminathan, S.

2016-06-01

COSY Infinity (Makino and Berz, 2005) is a differential-algebra based simulation code which allows accurate calculation of transfer maps to arbitrary order. COSY's existing internal procedures were modified to allow electrostatic elements to be specified using an array of field potential data from the midplane. Additionally, a new procedure was created allowing electrostatic elements and their fringe fields to be specified by an analytic function. This allows greater flexibility in accurately modelling electrostatic elements and their fringe fields. Applied examples of these new procedures are presented including the modelling of a shunted electrostatic multipole designed with OPERA, a spherical electrostatic bender, and the effects of different shaped apertures in an electrostatic beam line.

A Substrate-Assisted Mechanism of Nucleophile Activation in a Ser-His-Asp Containing C-C Bond Hydrolase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ruzzini, Antonio C.; Bhowmik, Shiva; Ghosh, Subhangi

The meta-cleavage product (MCP) hydrolases utilize a Ser–His–Asp triad to hydrolyze a carbon–carbon bond. Hydrolysis of the MCP substrate has been proposed to proceed via an enol-to-keto tautomerization followed by a nucleophilic mechanism of catalysis. Ketonization involves an intermediate, ES red, which possesses a remarkable bathochromically shifted absorption spectrum. We investigated the catalytic mechanism of the MCP hydrolases using DxnB2 from Sphingomonas wittichii RW1. Pre-steady-state kinetic and LC ESI/MS evaluation of the DxnB2-mediated hydrolysis of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid to 2-hydroxy-2,4-pentadienoic acid and benzoate support a nucleophilic mechanism catalysis. In DxnB2, the rate of ES red decay and product formation showed amore » solvent kinetic isotope effect of 2.5, indicating that a proton transfer reaction, assigned here to substrate ketonization, limits the rate of acylation. For a series of substituted MCPs, this rate was linearly dependent on MCP pK a2 (β nuc ~ 1). Structural characterization of DxnB2 S105A:MCP complexes revealed that the catalytic histidine is displaced upon substrate-binding. The results provide evidence for enzyme-catalyzed ketonization in which the catalytic His–Asp pair does not play an essential role. The data further suggest that ES red represents a dianionic intermediate that acts as a general base to activate the serine nucleophile. This substrate-assisted mechanism of nucleophilic catalysis distinguishes MCP hydrolases from other serine hydrolases.« less

Electron Heating in a Relativistic, Weibel-unstable Plasma

NASA Astrophysics Data System (ADS)

Kumar, Rahul; Eichler, David; Gedalin, Michael

2015-06-01

The dynamics of two initially unmagnetized relativistic counter-streaming homogeneous ion-electron plasma beams are simulated in two dimensions (2D) using the particle-in-cell (PIC) method. It is shown that current filaments, which form due to the Weibel instability, develop a large-scale longitudinal electric field in the direction opposite to the current carried by the filaments as predicted by theory. This field, which is partially inductive and partially electrostatic, is identified as the main source of net electron acceleration, greatly exceeding that due to magnetic field decay at later stages. The transverse electric field, although larger than the longitudinal field, is shown to play a smaller role in heating electrons, contrary to previous claims. It is found that in one dimension, the electrons become strongly magnetized and are not accelerated beyond their initial kinetic energy. Rather, the heating of the electrons is enhanced by the bending and break up of the filaments, which releases electrons that would otherwise be trapped within a single filament and slow the development of the Weibel instability (i.e., the magnetic field growth) via induction as per Lenz’s law. In 2D simulations, electrons are heated to about one quarter of the initial kinetic energy of ions. The magnetic energy at maximum is about 4%, decaying to less than 1% by the end of the simulation. The ions are found to gradually decelerate until the end of the simulation, by which time they retain a residual anisotropy of less than 10%.

Remarks on Polyelectrolyte Conformation

NASA Astrophysics Data System (ADS)

de Gennes, P. G.; Pincus, P.; Velasco, R. M.; Brochard, F.

Nous discutons des conformations de polymères linéaires chargés en faisant les hypothèses suivantes : a) la chaĬne sans charge est flexible, b) la force éctrostatique domine les interactions monomère-monomère c) il n'y a pas de sels. 1) Pour le cas dilué (chaĬne non enchevetrees) en corrigeant le calcul self-consistant fait récemment par Richmond [1a], on trouve une taille des polyions égale a = R ND, qui est une fonction linéaire de l'indice de polymérisation N. Ce rèsultat est en accord avec les prècèdents travaux de Hermans et Overbeek [1b], Kuhn, Kunzle et Katchalsky [1c]. 2) Il existe un domaine pour des concentrations très petites c (c** < c < c*) oò les interactions èlectrostatiques entre les polyions sont supèrieures aux ènergies thermiques, il semble donc possible que les polyions puissent former un rèseau pèriodique à trois dimensions. Nèanmoins, il semble difficile de mettre en èvidence un rèseau si diluè. 3) Jusqu'ici toutes les expériences avec les polyélectrolytes sans sels ont été pratiquement faites à des concentrations c > c*, pour lesquelles les différentes cha.nes sont enchevêtrées. Pour discuter ce régime on s.intéresse uniquement au cas où la charge par unité de longueur est près du (ou audessus du) seuil de condensation, donc il existe une seule longueur ξ(c) caractérisant les corrélations; à trois dimensions 03BE a le même comportement que le rayon de Debye pour les contre-ions. On a considéré quelques conformations possibles : a) un réseau hexagonal de batonnets; b) un réseau cubique de batonnets; c) une phase isotrope de cha.nes partiellement flexibles. Les différentes structures formées de batonnets semblent avoir la même énergie électrostatique. Ce fait suggère que la phase isotrope peut être la plus favorable. On analyse cette dernière phase en utilisant les mêmes méthodes qui se sont révélées efficaces pour les solutions des polymères neutres. Dans le modèle isotrope chaque cha.ne a le comportement d.une succession des petites pelotes (blobs) de taille 03BE. Les effets électrostatiques sont importants à l.intérieur d'un blobs et analogues au cas (1). Mais ces interactions sont écrantées entre les blobs ; chaque cha.ne a un comportement idéal à grande échelle et son rayon est R(c) ~ c-¼ N½. Si on suppose que les effets dynamiques des enchevêtrements sont faibles on trouve une valeur pour la viscosité ηsp/c ~ Nc-½ We discuss the conformations of linear polyions assuming that a) the corresponding uncharged chain is flexible ; b) electrostatic forces dominate the monomer-monomer interactions; c) no salt is added. 1) For the dilute case (non overlapping chains) correcting a recent self-consistent calculation by Richmond [1a], we find an overall polyion size R = Nd which is a linear function of the polymerization index N in agreement with the early work of Hermans and Overbeek, [1b], Kuhn, Kunzle, and Katchalsky [1c]. 2) There is a range of very low concentration c (c** < c < c*) where the chains do not overlap (c < c*) but where the electrostatic interactions between polyions are much larger than thermal energies (c > c**) : here we expect that the polyions build up a 3-dimensional periodic lattice ; however, the detection of such an extremely dilute lattice appears difficult. 3) Practically all experiments on salt-free polyelectrolytes have been performed at concentrations c > c* where different chains overlap each other. To discuss this regime we restrict our attention to cases where the charge per unit length is near (or above) the condensation threshold : then a single length ξ(c) characterizes the correlation; in 3 dimensions ξ scales like the Debye radius associated with the counter ions. We consider several possible conformations : a) hexagonal lattice of rigid rods ; b) cubic lattice of rigid rods; c) isotropic phase of partially flexible chains. The various rigid rod structures appear to have very similar electrostatic energies. This suggests that the isotropic phase might possibly be the most favorable. We analyse this latter phase using the same scaling methods which have recently been helpful for neutral polymer solutions (2). In the isotropic model each chain behaves like a succession of segments of size. Inside one segment electrostatic effects are important and similar to case (1) above. Between segments the interactions are screened out, and tach chain is ideal on a large scale, with radius R(c) ~ c-¼ N½. If we (tentatively) assume that the dynamical effects of entanglements are weak, we are than led to a viscosity ηsp/c ~ Nc-½.

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

PubMed

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.

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

NASA Astrophysics Data System (ADS)

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.

Assessment and control of electrostatic charges. [hazards to space missions

NASA Technical Reports Server (NTRS)

Barrett, M.

1974-01-01

The experience is described of NASA and DOD with electrostatic problems, generation mechanisms, and type of electrostatic hazards. Guidelines for judging possible effects of electrostatic charges on space missions are presented along with mathematical formulas and definitions.

Combined effect of moisture and electrostatic charges on powder flow

NASA Astrophysics Data System (ADS)

Rescaglio, Antonella; Schockmel, Julien; Vandewalle, Nicolas; Lumay, Geoffroy

2017-06-01

It is well known in industrial applications involving powders and granular materials that the relative air humidity and the presence of electrostatic charges influence drastically the material flowing properties. The relative air humidity induces the formation of capillary bridges and modify the grain surface conductivity. The presence of capillary bridges produces cohesive forces. On the other hand, the apparition of electrostatic charges due to the triboelectric effect at the contacts between the grains and at the contacts between the grains and the container produces electrostatic forces. Therefore, in many cases, the powder cohesiveness is the result of the interplay between capillary and electrostatic forces. Unfortunately, the triboelectric effect is still poorly understood, in particular inside a granular material. Moreover, reproducible electrostatic measurements are difficult to perform. We developed an experimental device to measures the ability of a powder to charge electrostatically during a flow in contact with a selected material. Both electrostatic and flow measurements have been performed in different hygrometric conditions. The correlation between the powder electrostatic properties, the hygrometry and the flowing behavior are analyzed.

Electrostatic spraying in the chemical control of Triozoida limbata (Enderlein) (Hemiptera: Triozidae) in guava trees (Psidium guajava L.).

PubMed

Tavares, Rafael M; Cunha, João Par; Alves, Thales C; Bueno, Mariana R; Silva, Sérgio M; Zandonadi, César Hs

2017-06-01

Owing to the difficulty in reaching targets during pesticide applications on guava trees, it is important to evaluate new technologies that may improve pest management. In electrostatic spraying, an electric force is added to the droplets to control their movements such that they are efficiently directed to the target. The present study evaluated the performance of electrostatic and non-electrostatic spraying in the control of the guava psyllid, the deposition of the spray mixture on the leaves and the losses to the soil. The deposition of the spray mixture was up to 2 times greater when using electrostatic spraying in comparison with non-electrostatic application. The losses of the spray mixture to the soil were up to 4 times smaller with the electrostatic spraying. Electrostatic spraying had better control of the psyllid. It was possible to reduce the volume rate of application with electrostatic spraying without adversely affecting the control of the guava psyllid. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Development of zwitterionic chromophores for electro-optic applications

NASA Astrophysics Data System (ADS)

Xiong, Ying

In order to unlock the full potential of the zwitterionic NLO chromophores for electro-optic (EO) applications, a new series of PeQDM chromophores with large first hyperpolarizabilities (beta0 ˜ 600 x 10-30 esu) have been designed and synthesized. A large EO coefficient (r33) of 110 pm/V at 1550 nm has been realized with a 5 wt% (corresponding to 3.8 wt% core content) chromophore doped polymer. The EO study of guest-host polymers reveals that dipolar dye aggregation in a less polar medium is responsible for a low chromophore loading and low EO activity. Modification of NLO chromophore by attaching large dendrons can effectively increase the chromophore loading in a host and improve the poling efficiency. Crosslinkable NLO polymers have also been prepared to improve the temporal stability of the poled noncentrosymmetric order. The following are some important highlights from this thesis work. (1) A series of thermally stable zwitterionic chromophores (PeQDM) with large first hyperpolarizabilities (beta up to -1797 x 10-30 esu) are synthesized in good yields (˜ 50%). The charge-separated ground state is evident by a negative solvatochromism. X-ray crystallographic data further confirms the zwitterionic nature and demonstrates a face-to-face anti-parallel H-aggregation of two monomers due to strong electrostatic interactions between the dipoles. (2) PeQDM chromophores are also NIR fluorescent (lambdaPL ˜ 840-870 nm in solution) and labile to acid, making them potential candidates for NIR pH sensor applications. (3) The hydroxyl-containing PeQDM chromophores are modified with ES-dendron, which exhibit good solubility in solvents and polymers. Self-forming films can be prepared by direct casting or spin-coating of two dendrons modified chromophores (ES-PeQDM-2 and ES-PeQDM-3), in which the chromophore core contents reach 14.9 and 16.9 wt%, respectively. Compared to ES-PeQDM-2 with two dendrons only at the donor part (r33 = 0 pm/V), ES-PeQDM-3 with the bulky ES-dendrons anchored at both the donor and acceptor parts can be poled (r33 = 63 pm/V). (4) Crosslinkable NLO polymers can be prepared by grafting PeQDM-C3OH and 5-aminobenzocyclobutenone as a thermal crosslinker onto acid-containing polyethersulfone. The EO coefficient of a crosslinkable NLO polyethersulfone with 4.8 wt% chromophore core content is 37 pm/V. (5) The use of a polymer with a high dielectric constant to host PeQDM gives rise to the largest EO coefficient (r33 = 110 pm/V), due to the well dispersed monomeric chromophores. The J-type chromophore aggregates formed in a less polar polymer host could still contribute to EO activity, if the dissociated monomer intermediate during the J-H aggregate transformation could be oriented under the poling conditions.

Static electricity as a hazard in industry

NASA Astrophysics Data System (ADS)

van Laar, Ir. G. F. M.

1991-08-01

Looking at the German and Dutch statistics, the percentage of dust explosions in all industries dealing with explosible dust-air mixtures which have been ignited by electrostatic discharges is about 8-10%. However, in the plastics industry this value is much higher: 25%. In particular in the last few years some rather large industrial incidents probably have been caused by electrostatic charges. To understand why accidents may happen due to static electricity the several dangerous electrostatic discharges will be discussed briefly in connection with dust explosion hazards. In particular the propagating brush discharge and the cone or " Maurer " discharge are important. Ignitions are caused mainly in the case of easily ignitable powders or hybrid mixtures (powders in combination with flammable vapours) due to isolated conductors and non-conducting materials as the product itself or such process parts as flexible hoses, internally coated silos and ducts. To illustrate how hazards by electrostatic discharges may develop in real life both on a small and a large scale a few examples will be briefly discussed. Une consultation des statistiques allemandes et néerlandaises révèle que dans toutes les industries traitant des mélanges poussière-air explosifs le pourcentage des explosions de poussière qui se sont produites par des décharges électrostatiques ne s'élève qu'à environ 8-10 %. Dans l'industrie des matières plastiques cependant, ce pourcentage est bien plus grand: 25 %. Les dernières années en particulier nous ont rapporté plusieurs incidents industriels assez graves qui sont probablement causés par des charges électrostatiques. Pour comprendre comment des accidents pareils dus à l'électricité statique peuvent se produire, les différentes décharges électrostatiques dangereuses pouvant produire des explosions de poussière se discuteront brièvement. Ce sont surtout la décharge brosse de surface et la décharge " Maurer " qui sont d'une importance considérable. Les inflammations se font principalement en cas de poussières combustibles ou mélanges hybrides (des poudres en combinaison avec des vapeurs combustibles) par des conducteurs isolés et des matériaux non conductibles comme le produit même ou par des éléments concernés comme des tuyaux flexibles, des silos couverts à l'intérieur et des tubes. Afin d'illustrer comment des dangers par décharges électrostatiques sur petite comme sur grande échelle pourraient se développer dans la vie quotidienne, quelques exemples seront donnés.

Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.

PubMed

Fenn, Timothy D; Schnieders, Michael J; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S; Brunger, Axel T

2011-04-13

Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints, and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here, we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a protein crystal structure were refined against joint neutron/X-ray diffraction data sets using force fields without electrostatics or with electrostatics. Hydrogen-bond orientation/geometry favors the inclusion of electrostatics. Refinement of Z-DNA with electrostatics leads to a hypothesis for the entropic stabilization of Z-DNA that may partly explain the thermodynamics of converting the B form of DNA to its Z form. Thus, inclusion of electrostatics assists joint neutron/X-ray refinements, especially for placing and orienting hydrogen atoms. Copyright © 2011 Elsevier Ltd. All rights reserved.

Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration

PubMed Central

Fenn, Timothy D.; Schnieders, Michael J.; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S.; Brunger, Axel T.

2011-01-01

Summary Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a protein crystal structure were refined against joint neutron/X-ray diffraction data sets using force fields without electrostatics or with electrostatics. Hydrogen bond orientation/geometry favors the inclusion of electrostatics. Refinement of Z-DNA with electrostatics leads to a hypothesis for the entropic stabilization of Z-DNA that may partly explain the thermodynamics of converting the B form of DNA to its Z form. Thus, inclusion of electrostatics assists joint neutron/X-ray refinements, especially for placing and orienting hydrogen atoms. PMID:21481775

Electrostatic complementarity at protein/protein interfaces.

PubMed

McCoy, A J; Chandana Epa, V; Colman, P M

1997-05-02

Calculation of the electrostatic potential of protein-protein complexes has led to the general assertion that protein-protein interfaces display "charge complementarity" and "electrostatic complementarity". In this study, quantitative measures for these two terms are developed and used to investigate protein-protein interfaces in a rigorous manner. Charge complementarity (CC) was defined using the correlation of charges on nearest neighbour atoms at the interface. All 12 protein-protein interfaces studied had insignificantly small CC values. Therefore, the term charge complementarity is not appropriate for the description of protein-protein interfaces when used in the sense measured by CC. Electrostatic complementarity (EC) was defined using the correlation of surface electrostatic potential at protein-protein interfaces. All twelve protein-protein interfaces studied had significant EC values, and thus the assertion that protein-protein association involves surfaces with complementary electrostatic potential was substantially confirmed. The term electrostatic complementarity can therefore be used to describe protein-protein interfaces when used in the sense measured by EC. Taken together, the results for CC and EC demonstrate the relevance of the long-range effects of charges, as described by the electrostatic potential at the binding interface. The EC value did not partition the complexes by type such as antigen-antibody and proteinase-inhibitor, as measures of the geometrical complementarity at protein-protein interfaces have done. The EC value was also not directly related to the number of salt bridges in the interface, and neutralisation of these salt bridges showed that other charges also contributed significantly to electrostatic complementarity and electrostatic interactions between the proteins. Electrostatic complementarity as defined by EC was extended to investigate the electrostatic similarity at the surface of influenza virus neuraminidase where the epitopes of two monoclonal antibodies, NC10 and NC41, overlap. Although NC10 and NC41 both have quite high values of EC for their interaction with neuraminidase, the similarity in electrostatic potential generated by the two on the overlapping region of the epitopes is insignificant. Thus, it is possible for two antibodies to recognise the electrostatic surface of a protein in dissimilar ways.

Concentration Fluctuations and Capacitive Response in Dense Ionic Solutions.

PubMed

Uralcan, Betul; Aksay, Ilhan A; Debenedetti, Pablo G; Limmer, David T

2016-07-07

We use molecular dynamics simulations in a constant potential ensemble to study the effects of solution composition on the electrochemical response of a double layer capacitor. We find that the capacitance first increases with ion concentration following its expected ideal solution behavior but decreases upon approaching a pure ionic liquid in agreement with recent experimental observations. The nonmonotonic behavior of the capacitance as a function of ion concentration results from the competition between the independent motion of solvated ions in the dilute regime and solvation fluctuations in the concentrated regime. Mirroring the capacitance, we find that the characteristic decay length of charge density correlations away from the electrode is also nonmonotonic. The correlation length first decreases with ion concentration as a result of better electrostatic screening but increases with ion concentration as a result of enhanced steric interactions. When charge fluctuations induced by correlated ion-solvent fluctuations are large relative to those induced by the pure ionic liquid, such capacitive behavior is expected to be generic.

Laboratory observation of multiple double layer resembling space plasma double layer

NASA Astrophysics Data System (ADS)

Alex, Prince; Arumugam, Saravanan; Sinha, Suraj

2017-10-01

Perceptible double layer consisting of more than one layers were produced in laboratory using a double discharge plasma setup. The confinement of oppositely charged particles in each layer with sharply defined luminous boarder is attributed to the self-organization scenario. This structure is generated in front of a positively biased electrode when the electron drift velocity (νd) exceeds 1.3 times the electron thermal velocity (νte) . Stable multiple double layer structures were observed only between 1.3 νte <=νd <= 3 νte. At νd = 1.3 νte, oscillations were excited in the form of large amplitude burst followed by a high frequency stable oscillation. Beyond νd = 3 νte, multiple double layer begins to collapse which is characterized by an emergence in turbulence. Long range dependence in the corresponding electrostatic potential fluctuations indicates the role of self-organized criticality in the emergence of turbulence. The algebraic decaying tale of the autocorrelation function and power law behavior in the power spectrum are consistent with the observation.

Plume characteristics of MPD thrusters: A preliminary examination

NASA Technical Reports Server (NTRS)

Myers, Roger M.

1989-01-01

A diagnostics facility for MPD thruster plume measurements was built and is currently undergoing testing. The facility includes electrostatic probes for electron temperature and density measurements, Hall probes for magnetic field and current distribution mapping, and an imaging system to establish the global distribution of plasma species. Preliminary results for MPD thrusters operated at power levels between 30 and 60 kW with solenoidal applied magnetic fields show that the electron density decreases exponentially from 1x10(2) to 2x10(18)/cu m over the first 30 cm of the expansion, while the electron temperature distribution is relatively uniform, decreasing from approximately 2.5 eV to 1.5 eV over the same distance. The radiant intensity of the ArII 4879 A line emission also decays exponentially. Current distribution measurements indicate that a significant fraction of the discharge current is blown into the plume region, and that its distribution depends on the magnitudes of both the discharge current and the applied magnetic field.

The Z2/A dependence in heavy-ion fusion for the reactions of chlorine on thulium, lutetium, tantalum and tungsten. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

DiRienzo, A.C.

1980-06-01

Evaporation residues produced in the reactions 35Cl+169Tm and 37Cl+169Tm, 175Lu, 181Ta and 186W were observed at zero degree utilizing the Mass Inst of Tech.- Brookhaven Nat'l Lab Recoil Mass Spectrometer. The recoiling nuclei were separated from the beam and refocused onto a surface barrier detector by a combination of electrostatic and magnetic fields and magnetic quadrupole lenses. The residual nuclei are alpha radioactive and can thus be identified by a characteristic alpha line observed after the arrival pulse of the evaporation residue. The recoiling nuclei also pass through a gas ionization chamber whereas the decay alpha do not. A separatemore » anti-coincidence spectrum therefore displayed the alphas background free. Trends of evaporation residue cross section were charted versus Z sq (proton no.)/ A(atomic no.) and compared to statistical evaporation codes.« less

Verification of nonlinear particle simulation of radio frequency waves in fusion plasmas

NASA Astrophysics Data System (ADS)

Kuley, Animesh; Bao, Jian; Lin, Zhihong

2015-11-01

Nonlinear global particle simulation model has been developed in GTC to study the nonlinear interactions of radio frequency (RF) waves with plasmas in tokamak. In this model, ions are considered as fully kinetic particles using the Vlasov equation and electrons are treated as guiding centers using the drift kinetic. Boris push scheme for the ion motion has been implemented in the toroidal geometry using magnetic coordinates and successfully verified for the ion cyclotron, ion Bernstein and lower hybrid waves. The nonlinear GTC simulation of the lower hybrid wave shows that the amplitude of the electrostatic potential is oscillatory due to the trapping of resonant electrons by the electric field of the lower hybrid wave. The nonresonant parametric decay is observed an IBW sideband and an ion cyclotron quasimode (ICQM). The ICQM induces an ion perpendicular heating with a heating rate proportional to the pump wave intensity. This work is supported by PPPL subcontract number S013849-F and US Department of Energy (DOE) SciDAC GSEP Program.

Electrostatic forces in planetary rings

NASA Technical Reports Server (NTRS)

Goertz, C. K.; Shan, Linhua; Havnes, O.

1988-01-01

The average charge on a particle in a particle-plasma cloud, the plasma potential inside the cloud, and the Coulomb force acting on the particle are calculated. The net repulsive electrostatic force on a particle depends on the plasma density, temperature, density of particles, particle size, and the gradient of the particle density. In a uniformly dense ring the electrostatic repulsion is zero. It is also shown that the electrostatic force acts like a pressure force, that even a collisionless ring can be stable against gravitational collapse, and that a finite ring thickness does not necessarily imply a finite velocity dispersion. A simple criterion for the importance of electrostatic forces in planetary rings is derived which involves the calculation of the vertical ring thickness which would result if only electrostatic repulsion were responsible for the finite ring thickness. Electrostatic forces are entirely negligible in the main rings of Saturn and the E and G rings. They may also be negligible in the F ring. However, the Uranian rings and Jupiter's ring seem to be very much influenced by electrostatic repulsion. In fact, electrostatic forces could support a Jovian ring which is an order of magnitude more dense than observed.

DEPPDB - DNA electrostatic potential properties database. Electrostatic properties of genome DNA elements.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Krutinina, Eugenia A; Kamzolova, Svetlana G

2012-04-01

Electrostatic properties of genome DNA are important to its interactions with different proteins, in particular, related to transcription. DEPPDB - DNA Electrostatic Potential (and other Physical) Properties Database - provides information on the electrostatic and other physical properties of genome DNA combined with its sequence and annotation of biological and structural properties of genomes and their elements. Genomes are organized on taxonomical basis, supporting comparative and evolutionary studies. Currently, DEPPDB contains all completely sequenced bacterial, viral, mitochondrial, and plastids genomes according to the NCBI RefSeq, and some model eukaryotic genomes. Data for promoters, regulation sites, binding proteins, etc., are incorporated from established DBs and literature. The database is complemented by analytical tools. User sequences calculations are available. Case studies discovered electrostatics complementing DNA bending in E.coli plasmid BNT2 promoter functioning, possibly affecting host-environment metabolic switch. Transcription factors binding sites gravitate to high potential regions, confirming the electrostatics universal importance in protein-DNA interactions beyond the classical promoter-RNA polymerase recognition and regulation. Other genome elements, such as terminators, also show electrostatic peculiarities. Most intriguing are gene starts, exhibiting taxonomic correlations. The necessity of the genome electrostatic properties studies is discussed.

Deppdb--DNA electrostatic potential properties database: electrostatic properties of genome DNA.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Kamzolova, Svetlana G

2010-06-01

The electrostatic properties of genome DNA influence its interactions with different proteins, in particular, the regulation of transcription by RNA-polymerases. DEPPDB--DNA Electrostatic Potential Properties Database--was developed to hold and provide all available information on the electrostatic properties of genome DNA combined with its sequence and annotation of biological and structural properties of genome elements and whole genomes. Genomes in DEPPDB are organized on a taxonomical basis. Currently, the database contains all the completely sequenced bacterial and viral genomes according to NCBI RefSeq. General properties of the genome DNA electrostatic potential profile and principles of its formation are revealed. This potential correlates with the GC content but does not correspond to it exactly and strongly depends on both the sequence arrangement and its context (flanking regions). Analysis of the promoter regions for bacterial and viral RNA polymerases revealed a correspondence between the scale of these proteins' physical properties and electrostatic profile patterns. We also discovered a direct correlation between the potential value and the binding frequency of RNA polymerase to DNA, supporting the idea of the role of electrostatics in these interactions. This matches a pronounced tendency of the promoter regions to possess higher values of the electrostatic potential.

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

PubMed

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.

Relativistically Induced Transparency Acceleration (RITA) - laser-plasma accelerated quasi-monoenergetic GeV ion-beams with existing lasers?

NASA Astrophysics Data System (ADS)

Sahai, Aakash A.

2013-10-01

Laser-plasma ion accelerators have the potential to produce beams with unprecedented characteristics of ultra-short bunch lengths (100s of fs) and high bunch-charge (1010 particles) over acceleration length of about 100 microns. However, creating and controlling mono-energetic bunches while accelerating to high-energies has been a challenge. If high-energy mono-energetic beams can be demonstrated with minimal post-processing, laser (ω0)-plasma (ωpe) ion accelerators may be used in a wide-range of applications such as cancer hadron-therapy, medical isotope production, neutron generation, radiography and high-energy density science. Here we demonstrate using analysis and simulations that using relativistic intensity laser-pulses and heavy-ion (Mi ×me) targets doped with a proton (or light-ion) species (mp ×me) of trace density (at least an order of magnitude below the cold critical density) we can scale up the energy of quasi-mono-energetically accelerated proton (or light-ion) beams while controlling their energy, charge and energy spectrum. This is achieved by controlling the laser propagation into an overdense (ω0 <ωpeγ = 1) increasing plasma density gradient by incrementally inducing relativistic electron quiver and thereby rendering them transparent to the laser while the heavy-ions are immobile. Ions do not directly interact with ultra-short laser that is much shorter in duration than their characteristic time-scale (τp <<√{mp} /ω0 <<√{Mi} /ω0). For a rising laser intensity envelope, increasing relativistic quiver controls laser propagation beyond the cold critical density. For increasing plasma density (ωpe2 (x)), laser penetrates into higher density and is shielded, stopped and reflected where ωpe2 (x) / γ (x , t) =ω02 . In addition to the laser quivering the electrons, it also ponderomotively drives (Fp 1/γ∇za2) them forward longitudinally, creating a constriction of snowplowed e-s. The resulting longitudinal e--displacement from laser's push is controlled by the electrostatic space-charge pull by the immobile background ions. In the rest-frame of the laser, the electrostatic-potential that the ions create to balance the ponderomotive force on e-s, scales as the effective vector potential, aplasma . This potential hill, due to snowplowed e-s, co-propagating with the rising laser can reflect protons and light-ions (Relativistically Induced Transparency Acceleration, RITA). Desired proton or light-ion energies can be achieved by controlling the velocity of the snowplow, which is shown to scale inversely with the rise-time of the laser (higher energies for shorter pulses) and directly with the scale-length of the plasma density gradient. Similar acceleration can be produced by controlling the increase of the laser frequency (Chirp Induced Transparency Acceleration, ChITA). Work supported by the National Science Foundation under NSF- PHY-0936278. Also, NSF-PHY-0936266 and NSF-PHY-0903039; the US Department of Energy under DEFC02-07ER41500, DE- FG02-92ER40727 and DE-FG52-09NA29552.

The Stiffness Variation of a Micro-Ring Driven by a Traveling Piecewise-Electrode

PubMed Central

Li, Yingjie; Yu, Tao; Hu, Yuh-Chung

2014-01-01

In the practice of electrostatically actuated micro devices; the electrostatic force is implemented by sequentially actuated piecewise-electrodes which result in a traveling distributed electrostatic force. However; such force was modeled as a traveling concentrated electrostatic force in literatures. This article; for the first time; presents an analytical study on the stiffness variation of microstructures driven by a traveling piecewise electrode. The analytical model is based on the theory of shallow shell and uniform electrical field. The traveling electrode not only applies electrostatic force on the circular-ring but also alters its dynamical characteristics via the negative electrostatic stiffness. It is known that; when a structure is subjected to a traveling constant force; its natural mode will be resonated as the traveling speed approaches certain critical speeds; and each natural mode refers to exactly one critical speed. However; for the case of a traveling electrostatic force; the number of critical speeds is more than that of the natural modes. This is due to the fact that the traveling electrostatic force makes the resonant frequencies of the forward and backward traveling waves of the circular-ring different. Furthermore; the resonance and stability can be independently controlled by the length of the traveling electrode; though the driving voltage and traveling speed of the electrostatic force alter the dynamics and stabilities of microstructures. This paper extends the fundamental insights into the electromechanical behavior of microstructures driven by electrostatic forces as well as the future development of MEMS/NEMS devices with electrostatic actuation and sensing. PMID:25230308

The stiffness variation of a micro-ring driven by a traveling piecewise-electrode.

PubMed

Li, Yingjie; Yu, Tao; Hu, Yuh-Chung

2014-09-16

In the practice of electrostatically actuated micro devices; the electrostatic force is implemented by sequentially actuated piecewise-electrodes which result in a traveling distributed electrostatic force. However; such force was modeled as a traveling concentrated electrostatic force in literatures. This article; for the first time; presents an analytical study on the stiffness variation of microstructures driven by a traveling piecewise electrode. The analytical model is based on the theory of shallow shell and uniform electrical field. The traveling electrode not only applies electrostatic force on the circular-ring but also alters its dynamical characteristics via the negative electrostatic stiffness. It is known that; when a structure is subjected to a traveling constant force; its natural mode will be resonated as the traveling speed approaches certain critical speeds; and each natural mode refers to exactly one critical speed. However; for the case of a traveling electrostatic force; the number of critical speeds is more than that of the natural modes. This is due to the fact that the traveling electrostatic force makes the resonant frequencies of the forward and backward traveling waves of the circular-ring different. Furthermore; the resonance and stability can be independently controlled by the length of the traveling electrode; though the driving voltage and traveling speed of the electrostatic force alter the dynamics and stabilities of microstructures. This paper extends the fundamental insights into the electromechanical behavior of microstructures driven by electrostatic forces as well as the future development of MEMS/NEMS devices with electrostatic actuation and sensing.

21 CFR 892.1630 - Electrostatic x-ray imaging system.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Electrostatic x-ray imaging system. 892.1630... (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1630 Electrostatic x-ray imaging system. (a) Identification. An electrostatic x-ray imaging system is a device intended for medical...

21 CFR 892.1630 - Electrostatic x-ray imaging system.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Electrostatic x-ray imaging system. 892.1630... (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1630 Electrostatic x-ray imaging system. (a) Identification. An electrostatic x-ray imaging system is a device intended for medical...

Limiting assumptions in molecular modeling: electrostatics.

PubMed

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.

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, A.; Sabirianov, R. F.; Mei, W. N.; Namavar, F.; Khoynezhad, A.

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach.

PubMed

Rubinstein, A; Sabirianov, R F; Mei, W N; Namavar, F; Khoynezhad, A

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Electrostatic particle trap for ion beam sputter deposition

DOEpatents

Vernon, Stephen P.; Burkhart, Scott C.

2002-01-01

A method and apparatus for the interception and trapping of or reflection of charged particulate matter generated in ion beam sputter deposition. The apparatus involves an electrostatic particle trap which generates electrostatic fields in the vicinity of the substrate on which target material is being deposited. The electrostatic particle trap consists of an array of electrode surfaces, each maintained at an electrostatic potential, and with their surfaces parallel or perpendicular to the surface of the substrate. The method involves interception and trapping of or reflection of charged particles achieved by generating electrostatic fields in the vicinity of the substrate, and configuring the fields to force the charged particulate material away from the substrate. The electrostatic charged particle trap enables prevention of charged particles from being deposited on the substrate thereby enabling the deposition of extremely low defect density films, such as required for reflective masks of an extreme ultraviolet lithography (EUVL) system.

Mixed layers of sodium caseinate + dextran sulfate: influence of order of addition to oil-water interface.

PubMed

Jourdain, Laureline S; Schmitt, Christophe; Leser, Martin E; Murray, Brent S; Dickinson, Eric

2009-09-01

We report on the interfacial properties of electrostatic complexes of protein (sodium caseinate) with a highly sulfated polysaccharide (dextran sulfate). Two routes were investigated for preparation of adsorbed layers at the n-tetradecane-water interface at pH = 6. Bilayers were made by the layer-by-layer deposition technique whereby polysaccharide was added to a previously established protein-stabilized interface. Mixed layers were made by the conventional one-step method in which soluble protein-polysaccharide complexes were adsorbed directly at the interface. Protein + polysaccharide systems gave a slower decay of interfacial tension and stronger dilatational viscoelastic properties than the protein alone, but there was no significant difference in dilatational properties between mixed layers and bilayers. Conversely, shear rheology experiments exhibited significant differences between the two kinds of interfacial layers, with the mixed system giving much stronger interfacial films than the bilayer system, i.e., shear viscosities and moduli at least an order of magnitude higher. The film shear viscoelasticity was further enhanced by acidification of the biopolymer mixture to pH = 2 prior to interface formation. Taken together, these measurements provide insight into the origin of previously reported differences in stability properties of oil-in-water emulsions made by the bilayer and mixed layer approaches. Addition of a proteolytic enzyme (trypsin) to both types of interfaces led to a significant increase in the elastic modulus of the film, suggesting that the enzyme was adsorbed at the interface via complexation with dextran sulfate. Overall, this study has confirmed the potential of shear rheology as a highly sensitive probe of associative electrostatic interactions and interfacial structure in mixed biopolymer layers.

Impact of electrostatic and conventional sprayers characteristics on dispersion of barrier spray

USDA-ARS?s Scientific Manuscript database

A study was conducted to analyze the performance of three electrostatic (Electrolon BP-2.5TM, Spectrum Electrostatic 4010, and Spectrum Electrostatic head on a Stihl 420) and two conventional (Buffalo Turbine CSM2 and Stihl 420) sprayers for barrier sprays to suppress an adult mosquito population in...

40 CFR 60.5175 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2012 CFR

2012-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection..., fabric filter, electrostatic precipitator, activated carbon injection, or afterburner, or if I limit... device other than a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection...

40 CFR 60.5175 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2014 CFR

2014-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection..., fabric filter, electrostatic precipitator, activated carbon injection, or afterburner, or if I limit... device other than a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection...

40 CFR 60.5175 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2013 CFR

2013-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection..., fabric filter, electrostatic precipitator, activated carbon injection, or afterburner, or if I limit... device other than a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection...

40 CFR 60.5175 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2011 CFR

2011-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection..., fabric filter, electrostatic precipitator, activated carbon injection, or afterburner, or if I limit... device other than a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection...

A new constituent of electrostatic energy in semiconductors. An attempt to reformulate electrostatic energy in matter

NASA Astrophysics Data System (ADS)

Sallese, Jean-Michel

2016-06-01

The concept of electric energy is revisited in detail for semiconductors. We come to the conclusion that the main relationship used to calculate the energy related to the penetration of the electric field in semiconductors is missing a fundamental term. For instance, spatial derivate of the electrostatic energy using the traditional formula fails at giving the correct electrostatic force between semiconductor based capacitor plates, and reveals unambiguously the existence of an extra contribution to the standard electrostatic free energy. The additional term is found to be related to the generation of space charge regions which are predicted when combining electrostatics with semiconductor physics laws, such as for accumulation and inversion layers. On the contrary, no such energy is needed when relying on electrostatics only, as for instance when adopting the so-called full depletion approximation. The same holds for neutral and charged insulators that are still consistent with the customary definition, but these two examples are in fact singular cases. In semiconductors for instance, this additional energy can largely exceed the energy gained by the dipoles, thus becoming the dominant term. This unexpected result clearly asks for a generalization of electrostatic energy in matter in order to reconcile basic concepts of electrostatic energy in the framework of classical physics.

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

PubMed

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 divergence of jawless fish.

The Two Sides of Complement C3d: Evolution of Electrostatics in a Link between Innate and Adaptive Immunity

PubMed Central

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 divergence of jawless fish. PMID:23300422

Electrostatic similarity of proteins: Application of three dimensional spherical harmonic decomposition

PubMed Central

Długosz, Maciej; Trylska, Joanna

2008-01-01

We present a method for describing and comparing global electrostatic properties of biomolecules based on the spherical harmonic decomposition of electrostatic potential data. Unlike other approaches our method does not require any prior three dimensional structural alignment. The electrostatic potential, given as a volumetric data set from a numerical solution of the Poisson or Poisson–Boltzmann equation, is represented with descriptors that are rotation invariant. The method can be applied to large and structurally diverse sets of biomolecules enabling to cluster them according to their electrostatic features. PMID:18624502

Effect of the ordered interfacial water layer in protein complex formation: a non-local electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, Alexander; Sabirianov, Renat

2011-03-01

Using a non-local electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an low-dielectric interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Nuclear Data Sheets for A=241

DOE PAGES

Nesaraja, Caroline D.

2015-11-27

This paper presents available information pertaining to the nuclear structure of ground and excited states for all known nuclei with mass numbers A=24, which have been compiled and evaluated. The adopted level and decay schemes, as well as the detailed nuclear properties and configuration assignments based on experimental data are presented for these nuclides. When there are insufficient data, expected values from systematics of nuclear properties or/and theoretical calculations are quoted. Unexpected or discrepant experimental results are also noted. A summary and compilation of the discovery of various isotopes in this mass region is given in 2013Fr02 ( 241Np, 241Pu,more » 241Am, 241Cm, 241Bk, and 241Cf), 2011Me01 (241Es), and 2013Th02 ( 241Fm).« less

Electrostatic coating enhances bioavailability of insecticides and breaks pyrethroid resistance in mosquitoes

PubMed Central

Andriessen, Rob; Snetselaar, Janneke; Suer, Remco A.; Osinga, Anne J.; Deschietere, Johan; Lyimo, Issa N.; Mnyone, Ladslaus L.; Brooke, Basil D.; Ranson, Hilary; Knols, Bart G. J.; Farenhorst, Marit

2015-01-01

Insecticide resistance poses a significant and increasing threat to the control of malaria and other mosquito-borne diseases. We present a novel method of insecticide application based on netting treated with an electrostatic coating that binds insecticidal particles through polarity. Electrostatic netting can hold small amounts of insecticides effectively and results in enhanced bioavailability upon contact by the insect. Six pyrethroid-resistant Anopheles mosquito strains from across Africa were exposed to similar concentrations of deltamethrin on electrostatic netting or a standard long-lasting deltamethrin-coated bednet (PermaNet 2.0). Standard WHO exposure bioassays showed that electrostatic netting induced significantly higher mortality rates than the PermaNet, thereby effectively breaking mosquito resistance. Electrostatic netting also induced high mortality in resistant mosquito strains when a 15-fold lower dose of deltamethrin was applied and when the exposure time was reduced to only 5 s. Because different types of particles adhere to electrostatic netting, it is also possible to apply nonpyrethroid insecticides. Three insecticide classes were effective against strains of Aedes and Culex mosquitoes, demonstrating that electrostatic netting can be used to deploy a wide range of active insecticides against all major groups of disease-transmitting mosquitoes. Promising applications include the use of electrostatic coating on walls or eave curtains and in trapping/contamination devices. We conclude that application of electrostatically adhered particles boosts the efficacy of WHO-recommended insecticides even against resistant mosquitoes. This innovative technique has potential to support the use of unconventional insecticide classes or combinations thereof, potentially offering a significant step forward in managing insecticide resistance in vector-control operations. PMID:26324912

Simulation of linear and nonlinear Landau damping of lower hybrid waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qi, Lei; Wang, X. Y.; Lin, Y.

2013-06-15

The linear physics of lower hybrid waves (LHWs) and their nonlinear interaction with particles through Landau damping are studied with the gyrokinetic electron and fully kinetic ion (GeFi) particle simulation model in the electrostatic limit. Unlike most other wave modes, the LHWs can resonantly interact with both electrons and ions, with the former being highly magnetized and latter nearly unmagnetized around the lower hybrid frequency. Direct interactions of LHWs with electrons and/or ions are investigated for cases with various k{sub ∥}/k,T{sub i}/T{sub e}, and wave amplitudes. In the linear electron Landau damping (ELD), the dispersion relation and the linear dampingmore » rate obtained from our simulation agree well with the analytical linear theory. As the wave amplitude increases, the nonlinear Landau effects are present, and a transition from strong decay at smaller amplitudes to weak decay at larger amplitudes is observed. In the nonlinear stage, the LHWs in the long time evolution finally exhibit a steady Bernstein-Greene-Kruskal mode, in which the wave amplitude is saturated above the noise level. While the resonant electrons are trapped in the wave field in the nonlinear ELD, the resonant ions are untrapped in the LHW time scales. The ion Landau damping is thus predominantly in a linear fashion, leading to a wave saturation level significantly lower than that in the ELD. On the long time scales, however, the ions are still weakly trapped. The results show a coupling between the LHW frequency and the ion cyclotron frequency during the long-time LHW evolution.« less

A Triboelectric Sensor Array for Electrostatic Studies on the Lunar Surface

NASA Technical Reports Server (NTRS)

Johansen, Michael R.; Mackey, Paul J.; Calle, C. I.

2015-01-01

The moons electrostatic environment requires careful consideration in the development of future lunar landers. Electrostatically charged dust was well documented during the Apollo missions to cause thermal control, mechanical, and visibility issues. The fine dust particles that make up the surface are electrostatically charged as a result of numerous charging mechanisms. The relatively dry conditions on the moon creates a prime tribocharging environment during surface operations. The photoelectric effect is dominant for lunar day static charging, while plasma electrons are the main contributor for lunar night electrostatic effects. Electrostatic charging is also dependent on solar intensity, Earth-moon relative positions, and cosmic ray flux. This leads to a very complex and dynamic electrostatic environment that must be studied for the success of long term lunar missions.In order to better understand the electrostatic environment of planetary bodies, Kennedy Space Center, in previous collaboration with the Jet Propulsion Laboratory, has developed an electrostatic sensor suite. One of the instruments included in this package is the triboelectric sensor array. It is comprised of strategically selected materials that span the triboelectric series and that also have previous spaceflight history. In this presentation, we discuss detailed testing with the triboelectric sensor array performed at Kennedy Space Center. We will discuss potential benefits and use cases of this low mass, low cost sensor package, both for science and for mission success.

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation.

PubMed

Bardhan, Jaydeep P; Knepley, Matthew G; Anitescu, Mihai

2009-03-14

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation

NASA Astrophysics Data System (ADS)

Bardhan, Jaydeep P.; Knepley, Matthew G.; Anitescu, Mihai

2009-03-01

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

Poisson-Boltzmann model for protein-surface electrostatic interactions and grid-convergence study using the PyGBe code

NASA Astrophysics Data System (ADS)

Cooper, Christopher D.; Barba, Lorena A.

2016-05-01

Interactions between surfaces and proteins occur in many vital processes and are crucial in biotechnology: the ability to control specific interactions is essential in fields like biomaterials, biomedical implants and biosensors. In the latter case, biosensor sensitivity hinges on ligand proteins adsorbing on bioactive surfaces with a favorable orientation, exposing reaction sites to target molecules. Protein adsorption, being a free-energy-driven process, is difficult to study experimentally. This paper develops and evaluates a computational model to study electrostatic interactions of proteins and charged nanosurfaces, via the Poisson-Boltzmann equation. We extended the implicit-solvent model used in the open-source code PyGBe to include surfaces of imposed charge or potential. This code solves the boundary integral formulation of the Poisson-Boltzmann equation, discretized with surface elements. PyGBe has at its core a treecode-accelerated Krylov iterative solver, resulting in O(N log N) scaling, with further acceleration on hardware via multi-threaded execution on GPUs. It computes solvation and surface free energies, providing a framework for studying the effect of electrostatics on adsorption. We derived an analytical solution for a spherical charged surface interacting with a spherical dielectric cavity, and used it in a grid-convergence study to build evidence on the correctness of our approach. The study showed the error decaying with the average area of the boundary elements, i.e., the method is O(1 / N) , which is consistent with our previous verification studies using PyGBe. We also studied grid-convergence using a real molecular geometry (protein G B1 D4‧), in this case using Richardson extrapolation (in the absence of an analytical solution) and confirmed the O(1 / N) scaling. With this work, we can now access a completely new family of problems, which no other major bioelectrostatics solver, e.g. APBS, is capable of dealing with. PyGBe is open-source under an MIT license and is hosted under version control at https://github.com/barbagroup/pygbe. To supplement this paper, we prepared ;reproducibility packages; consisting of running and post-processing scripts in Python for replicating the grid-convergence studies, all the way to generating the final plots, with a single command.

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

New Electrostatic Precipitator in a flow-through system. The precipitator system is being developed to remove dust from the atmospheric intakes of the MARS ISRU chambers. It uses electrostatic forces for the dust removal.

On the Proper Calculation of Electrostatic Interactions in Solid-Supported Bilayer Systems

DTIC Science & Technology

2011-01-01

the effects of im- plementing different electrostatic boundary conditions on the structural and electrostatic properties of a quartz/water/vacuum...interface and a similar quartz-supported hydrated lipid bilayer exposed to vacuum. Since these interfacial systems have a net polarization, implementing the...implemented electrostatic boundary condition removed these inconsistencies. This formulation is generally applicable to similar interfacial systems in bulk

Field Modeling, Symplectic Tracking, and Spin Decoherence for EDM and Muon $$g\\textrm{-}2$$ Lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Valetov, Eremey Vladimirovich

2017-01-01

While the first particle accelerators were electrostatic machines, and several electrostatic storage rings were subsequently commissioned and operated, electrostatic storage rings pose a number of challenges. Unlike motion in the magnetic field, where particle energy remains constant, particle energy generally changes in electrostatic elements. Conservation of energy in an electrostatic element is, in practice, only approximate, and it requires careful and accurate design, manufacturing, installation, and operational use. Electrostatic deflectors require relatively high electrostatic fields, tend to introduce nonlinear aberrations of all orders, and are more challenging to manufacture than homogeneous magnetic dipoles. Accordingly, magnetic storage rings are overwhelmingly prevalent.more » The search for electric dipole moments (EDMs) of fundamental particles is of key importance in the study of C and CP violations and their sources. C and CP violations are part of the Sakharov conditions that explain the matter–antimatter asymmetry in the universe. Determining the source of CP violations would provide valuable empirical insight for beyond-Standard-Model physics. EDMs of fundamental particles have not to this date been experimentally observed. The search for fundamental particle EDMs has narrowed the target search region; however, an EDM signal is yet to be discovered. In 2008, Brookhaven National Laboratory (BNL) had proposed the frozen spin (FS) concept for the search of a deuteron EDM. The FS concept envisions launching deuterons through a storage ring with combined electrostatic and magnetic fields. The electrostatic and magnetic fields are in a proportion that would, without an EDM, freeze the deuteron’s spin along its momentum as the deuteron moves around the lattice. The radial electrostatic field would result in a torque on the spin vector, proportional to a deuteron EDM, rotating the spin vector out of the midplane.« less

Estimation of the membrane potential of cultured macrophages from the fast potential transient upon microelectrode entry

PubMed Central

Ince, C; Ypey, DL; Van Furth, R; Verveen, AA

1983-01-01

Analysis of membrane potential recordings upon microelectrode impalement of four types of macrophages (cell lines P388D1 and PU5-1.8, cultured mouse peritoneal macrophages, and cultured human monocytes) reveals that these cells have membrane potentials at least two times more negative than sustained potential values (E(s)) frequently reported. Upon microelectrode entry into the cell (P388D1), the recorded potential drops to a peak value (E(p)) (mean -37 mV for 50 cells, range -15 to -70 mV) within 2 ms, after which it decays to a depolarized potential (E(n)) (mean -12 mV) in about 20 ms. Thereafter, the membrane develops one or a series of slow hyperpolarizations before a final sustained membrane potential (E(s)) (mean -14 mV, range -5 to -40) is established. The mean value of the peak of the first hyperpolarization (E(h)) is -30 mV (range -10 to -55 mV). The initial fast peak transient, measured upon microelectrode entry, was first described and analyzed by Lassen et al. (Lassen, U.V., A.M. T. Nielson, L. Pape, and L. O. Simonsen, 1971, J. Membr. Biol. 6:269-288 for other change in the membrane potential from its real value before impalement to a sustained depolarized value. This was shown to be true for macrophages by two-electrode impalements of single cells. Values of E(p), E(n), E(h), E(s), and membrane resistance (R(m)) measured for the other macrophages were similar to those of P388D1. From these results we conclude that E(p) is a better estimate of the true membrane potential of macrophages than E(s), and that the slow hyperpolarizations upon impalement should be regarded as transient repolarizations back to the original membrane potentials. Thus, analysis of the initial fast impalement transient can be a valuable aid in the estimation of the membrane potential of various sorts of small isolated cells by microelectrodes. PMID:6833384

Linear and nonlinear interactions of an electron beam with oblique whistler and electrostatic waves in the magnetosphere

NASA Astrophysics Data System (ADS)

Zhang, Y. L.; Matsumoto, H.; Omura, Y.

1993-12-01

Both linear and nonlinear interactions between oblique whistler, electrostatic, quasi-upper hybrid mode waves and an electron beam are studied by linear analyses and electromagnetic particle simulations. In addition to a background cold plasma, we assumed a hot electron beam drifting along a static magnetic field. Growth rates of the oblique whistler, oblique electrostatic, and quasi-upper hybrid instabilities were first calculated. We found that there are four kinds of unstable mode waves for parallel and oblique propagations. They are the electromagnetic whistler mode wave (WW1), the electrostatic whistler mode wave (WW2), the electrostatic mode wave (ESW), and the quasi-upper hybrid mode wave (UHW). A possible mechanism is proposed to explain the satellite observations of whistler mode chorus and accompanied electrostatic waves, whose amplitudes are sometimes modulated at the chorus frequency.

Roles of Long-range Electrostatic Domain Interactions and K+ in Phosphoenzyme Transition of Ca2+-ATPase*

PubMed Central

Yamasaki, Kazuo; Daiho, Takashi; Danko, Stefania; Suzuki, Hiroshi

2013-01-01

Sarcoplasmic reticulum Ca2+-ATPase couples the motions and rearrangements of three cytoplasmic domains (A, P, and N) with Ca2+ transport. We explored the role of electrostatic force in the domain dynamics in a rate-limiting phosphoenzyme (EP) transition by a systematic approach combining electrostatic screening with salts, computer analysis of electric fields in crystal structures, and mutations. Low KCl concentration activated and increasing salt above 0.1 m inhibited the EP transition. A plot of the logarithm of the transition rate versus the square of the mean activity coefficient of the protein gave a linear relationship allowing division of the activation energy into an electrostatic component and a non-electrostatic component in which the screenable electrostatic forces are shielded by salt. Results show that the structural change in the transition is sterically restricted, but that strong electrostatic forces, when K+ is specifically bound at the P domain, come into play to accelerate the reaction. Electric field analysis revealed long-range electrostatic interactions between the N and P domains around their hinge. Mutations of the residues directly involved and other charged residues at the hinge disrupted in parallel the electric field and the structural transition. Favorable electrostatics evidently provides a low energy path for the critical N domain motion toward the P domain, overcoming steric restriction. The systematic approach employed here is, in general, a powerful tool for understanding the structural mechanisms of enzymes. PMID:23737524

Electrostatics in pharmaceutical aerosols for inhalation.

PubMed

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.

Stability, Nonlinearity and Reliability of Electrostatically Actuated MEMS Devices

PubMed Central

Zhang, Wen-Ming; Meng, Guang; Chen, Di

2007-01-01

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.

Conservation and Role of Electrostatics in Thymidylate Synthase.

PubMed

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.

Nonlinearities and noise in micromechanical resonators: From understanding to characterization and design tools

NASA Astrophysics Data System (ADS)

Polunin, Pavel M.

In this work we consider several nonlinearity-based and/or noise-related phenomena that have been recently observed in micro-electromechanical vibratory systems. The main goals are to closely examine these phenomena, develop an understanding of their underlying physics, derive techniques for characterizing parameters in relevant mathematical models, and determine ways to improve the performance of specific classes of micro-electromechanical systems (MEMS) used in applications. The general perspective of this work is based on the fact that nonlinearity and noise represent integral parts of the models needed to describe the response of these systems, and the focus is on situations where these generally undesirable features can be utilized or accounted for in design. We consider three different, but related, topics in this general area. The first topic uses the slowly varying states in a rotating frame of reference where we analyze the stationary probability distribution of a nonlinear parametrically-driven resonator subjected to Poisson pulses and thermal noise. We show that Poisson pulses with low pulse rates, as compared with the resonator decay rate, cause a power-law divergence of the probability density at the resonator equilibrium in both the underdamped (overdamped) regimes, in which the response does (does not) spiral in the rotating frame. We have also found that the shape of the probability distribution away from the equilibrium position is qualitatively different for the overdamped and underdamped cases. In particular, in the overdamped regime, the form of the secondary singularity in the probability distribution depends strongly on the reference phase of the resonator response and the pulse modulation phase, while in the underdamped regime several singular peaks occur in the distribution, and their locations are determined by the resonator frequency and decay rate in the rotating frame. Finally, we show that even weak Gaussian noise smoothens out the singular peaks in the probability distribution. The theoretical results are successfully compared experimental results obtained from collaborators at the Hong Kong University of Science and Technology. Second, we discuss a time-domain technique for characterizing parameters for models that describe the response of a single vibrational mode of micromechanical resonators with symmetric restoring and damping forces. These parameters include coefficients of conservative and dissipative linear and nonlinear terms, as well as the strengths of various noise sources acting on the mode of interest. The method relies on measurements taken during a ringdown response, that is, free vibration, in which the nonlinearities result in an amplitude-dependent frequency and a non-exponential decay of the amplitude, while noise sources cause fluctuations in the resonator amplitude and phase. Analysis of the amplitude of the ringdown response allows one to estimate the quality factor and the dissipative nonlinearity, and the zero-crossing points in the ringdown measurement can be used to characterize the linear natural frequency and the cubic and quintic nonlinearities of the vibrational mode, which typically arise from a combination of mechanical and electrostatic effects. Additionally, we develop and demonstrate a statistical analysis of the zero-crossing points in the resonator response that allows one to separate the effects of additive, multiplicative, and measurement noises and estimate their corresponding intensities. These characterization methods are demonstrated using experimental measurements obtained from collaborators at Stanford University. Finally, we examine the problem of self-induced parametric amplification in ring/disk resonating gyroscopes. We model the dynamics of these gyroscopes by considering flexural (elliptical) vibrations of a thin elastic ring subjected to electrostatic transduction and show that the parametric amplification arises naturally from nonlinear intermodal coupling between the drive and sense modes of the gyroscope. Analysis shows that this coupling results in a substantial increase in the sensitivity of the gyroscope to the external angular rate. This improvement in the gyroscope performance depends strongly on both the modal coupling strength and the operating point of the gyroscope, features which depend on details of nonlinear kinematics of, and forces acting on, the ring. Using the results from this model, we explore ways to enhance the amplification effect by changing the shape of the resonator body and attendant electrodes, and by electrostatic tuning. These results suggest new designs for ring gyros, and a general approach for other geometries, such as disk-resonator-gyros (DRGs), that should offer significant improvements in device sensitivity.

Embedding beyond electrostatics-The role of wave function confinement.

PubMed

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.

Very compact, high-stability electrostatic actuator featuring contact-free self-limiting displacement

DOEpatents

Rodgers, M. Steven; Miller, Samuel L.

2003-01-01

A compact electrostatic actuator is disclosed for microelectromechanical (MEM) applications. The actuator utilizes stationary and moveable electrodes, with the stationary electrodes being formed on a substrate and the moveable electrodes being supported above the substrate on a frame. The frame provides a rigid structure which allows the electrostatic actuator to be operated at high voltages (up to 190 Volts) to provide a relatively large actuation force compared to conventional electrostatic comb actuators which are much larger in size. For operation at its maximum displacement, the electrostatic actuator is relatively insensitive to the exact value of the applied voltage and provides a self-limiting displacement.

The Electromechanical Behavior of a Micro-Ring Driven by Traveling Electrostatic Force

PubMed Central

Ye, Xiuqian; Chen, Yibao; Chen, Da-Chih; Huang, Kuo-Yi; Hu, Yuh-Chung

2012-01-01

There is no literature mentioning the electromechanical behavior of micro structures driven by traveling electrostatic forces. This article is thus the first to present the dynamics and stabilities of a micro-ring subjected to a traveling electrostatic force. The traveling electrostatic force may be induced by sequentially actuated electrodes which are arranged around the flexible micro-ring. The analysis is based on a linearized distributed model considering the electromechanical coupling effects between electrostatic force and structure. The micro-ring will resonate when the traveling speeds of the electrostatic force approach some critical speeds. The critical speeds are equal to the ratio of the natural frequencies to the wave number of the correlative natural mode of the ring. Apart from resonance, the ring may be unstable at some unstable traveling speeds. The unstable regions appear not only near the critical speeds, but also near some fractions of some critical speeds differences. Furthermore the unstable regions expand with increasing driving voltage. This article may lead to a new research branch on electrostatic-driven micro devices. PMID:22438705

Ionic strength independence of charge distributions in solvation of biomolecules

NASA Astrophysics Data System (ADS)

Virtanen, J. J.; Sosnick, T. R.; Freed, K. F.

2014-12-01

Electrostatic forces enormously impact the structure, interactions, and function of biomolecules. We perform all-atom molecular dynamics simulations for 5 proteins and 5 RNAs to determine the dependence on ionic strength of the ion and water charge distributions surrounding the biomolecules, as well as the contributions of ions to the electrostatic free energy of interaction between the biomolecule and the surrounding salt solution (for a total of 40 different biomolecule/solvent combinations). Although water provides the dominant contribution to the charge density distribution and to the electrostatic potential even in 1M NaCl solutions, the contributions of water molecules and of ions to the total electrostatic interaction free energy with the solvated biomolecule are comparable. The electrostatic biomolecule/solvent interaction energies and the total charge distribution exhibit a remarkable insensitivity to salt concentrations over a huge range of salt concentrations (20 mM to 1M NaCl). The electrostatic potentials near the biomolecule's surface obtained from the MD simulations differ markedly, as expected, from the potentials predicted by continuum dielectric models, even though the total electrostatic interaction free energies are within 11% of each other.

QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites.

PubMed

Correa-Basurto, J; Bello, M; Rosales-Hernández, M C; Hernández-Rodríguez, M; Nicolás-Vázquez, I; Rojo-Domínguez, A; Trujillo-Ferrara, J G; Miranda, René; Flores-Sandoval, C A

2014-02-25

A set of 84 known N-aryl-monosubstituted derivatives (42 amides: series 1 and 2, and 42 imides: series 3 an 4, from maleic and succinic anhydrides, respectively) that display inhibitory activity toward both acetylcholinesterase and butyrylcholinesterase (ChEs) was considered for Quantitative structure-activity relationship (QSAR) studies. These QSAR studies employed docking data from both ChEs that were previously submitted to molecular dynamics (MD) simulations. Donepezil and galanthamine stereoisomers were included to analyze their quantum mechanics properties and for validating the docking procedure. Quantum parameters such as frontier orbital energies, dipole moment, molecular volume, atomic charges, bond length and reactivity parameters were measured, as well as partition coefficients, molar refractivity and polarizability were also analyzed. In order to evaluate the obtained equations, four compounds: 1a (4-oxo-4-(phenylamino)butanoic acid), 2a ((2Z)-4-oxo-4-(phenylamino)but-2-enoic acid), 3a (2-phenylcyclopentane-1,3-dione) and 4a (2-phenylcyclopent-4-ene-1,3-dione) were employed as independent data set, using only equations with r(m(test))²>0.5. It was observed that residual values gave low value in almost all series, excepting in series 1 for compounds 3a and 4a, and in series 4 for compounds 1a, 2a and 3a, giving a low value for 4a. Consequently, equations seems to be specific according to the structure of the evaluated compound, that means, series 1 fits better for compound 1a, series 3 or 4 fits better for compounds 3a or 4a. Same behavior was observed in the butyrylcholinesterase (BChE). Therefore, obtained equations in this QSAR study could be employed to calculate the inhibition constant (Ki) value for compounds having a similar structure as N-aryl derivatives described here. The QSAR study showed that bond lengths, molecular electrostatic potential and frontier orbital energies are important in both ChE targets. Docking studies revealed that despite the multiple conformations obtained through MD simulations on both ChEs, the ligand recognition properties were conserved. In fact, the complex formed between ChEs and the best N-aryl compound reproduced the binding mode experimentally reported, where the ligand was coupled into the choline-binding site and stabilized through π-π interactions with Trp82 or Trp86 for BChE and AChE, respectively, suggesting that this compound could be an efficient inhibitor and supporting our model. Copyright © 2014. Published by Elsevier Ireland Ltd.

Study of the production of and hadrons in pp collisions and first measurement of the branching fraction

NASA Astrophysics Data System (ADS)

Aaij, R.; Adeva, B.; Adinolfi, M.; Affolder, A.; Ajaltouni, Z.; Akar, S.; Albrecht, J.; Alessio, F.; Alexander, M.; Ali, S.; Alkhazov, G.; Alvarez Cartelle, P.; Alves, A. A., Jr.; Amato, S.; Amerio, S.; Amhis, Y.; An, L.; Anderlini, L.; Anderson, J.; Andreassi, G.; Andreotti, M.; Andrews, J. E.; Appleby, R. B.; Aquines Gutierrez, O.; Archilli, F.; d'Argent, P.; Artamonov, A.; Artuso, M.; Aslanides, E.; Auriemma, G.; Baalouch, M.; Bachmann, S.; Back, J. J.; Badalov, A.; Baesso, C.; Baldini, W.; Barlow; , R. J.Barschel, C.; Barsuk, S.; Barter, W.; Batozskaya, V.; Battista, V.; Bay, A.; Beaucourt, L.; Beddow, J.; Bedeschi, F.; Bediaga, I.; Bel, L. J.; Bellee, V.; Belloli, N.; Belyaev, I.; Ben-Haim, E.; Bencivenni, G.; Benson, S.; J., Benton; Berezhnoy, A.; Bernet, R.; Bertolin, A.; Bettler, M.-O.; van Beuzekom, M.; Bien, A.; Bifani, S.; Billoir, P.; Bird, T.; Birnkraut, A.; Bizzeti, A.; Blake, T.; Blanc, F.; Blouw, J.; Blusk, S.; Bocci, V.; Bondar, A.; Bondar, N.; Bonivento, W.; Borghi, S.; Borsato, M.; Bowcock, T. J. V.; Bowen, E.; Bozzi, C.; Braun, S.; Britsch, M.; Britton, T.; Brodzicka, J.; Brook, N. H.; Buchanan, E.; Bursche, A.; Buytaert, J.; Cadeddu, S.; Calabrese, R.; Calvi, M.; Calvo Gomez, M.; Campana, P.; Campora Perez, D.; Capriotti, L.; Carbone, A.; Carboni, G.; Cardinale, R.; Cardini, A.; Carniti, P.; Carson, L.; Carvalho, Akiba K.; Casse, G.; Cassina, L.; Castillo Garcia, L.; Cattaneo, M.; Cauet, Ch.; Cavallero, G.; Cenci, R.; Charles, M.; Charpentier, Ph.; Chefdeville, M.; Chen, S.; Cheung, S.-F.; Chiapolini, N.; Chrzaszcz, M.; Cid Vidal, X.; Ciezarek, G.; Clarke, P. E. L.; Clemencic, M.; Cliff, H. V.; Closier, J.; Coco, V.; Cogan, J.; Cogneras, E.; Cogoni, V.; Cojocariu, L.; Collazuol, G.; Collins, P.; Comerma-Montells, A.; Contu, A.; Cook, A.; Coombes, M.; Coquereau, S.; Corti, G.; Corvo, M.; Couturier, B.; Cowan, G. A.; Craik, D. C.; Crocombe, A.; Cruz Torres, M.; Cunliffe, S.; Currie, R.; D'Ambrosio, C.; Dall'Occo, E.; Dalseno, J.; David, P. N. Y.; Davis, A.; De Bruyn, K.; De Capua, S.; De Cian, M.; De Miranda, J. M.; De Paula, L.; De Simone, P.; Dean, C.-T.; Decamp, D.; Deckenhoff, M.; Del Buono, L.; Déléage, N.; Demmer, M.; Derkach, D.; Deschamps, O.; Dettori, F.; Dey, B.; Di Canto, A.; Di Ruscio, F.; Dijkstra, H.; Donleavy, S.; Dordei, F.; Dorigo, M.; Dosil Suárez, A.; Dossett, D.; Dovbnya, A.; Dreimanis, K.; Dufour, L.; Dujany, G.; Dupertuis, F.; Durante, P.; Dzhelyadin, R.; Dziurda, A.; Dzyuba, A.; Easo, S.; Egede, U.; Egorychev, V.; Eidelman, S.; Eisenhardt, S.; Eitschberger, U.; Ekelhof, R.; Eklund, L.; El Rifai, I.; Elsasser, Ch.; Ely, S.; Esen, S.; Evans, H. M.; Evans, T.; Falabella, A.; Färber, C.; Farley, N.; Farry, S.; Fay, R.; Ferguson, D.; Fernandez Albor, V.; Ferrari, F.; Ferreira Rodrigues, F.; Ferro-Luzzi, M.; Filippov, S.; Fiore, M.; Fiorini, M.; Firlej, M.; Fitzpatrick, C.; Fiutowski, T.; Fohl, K.; Fol, P.; Fontana, M.; Fontanelli, F.; Forty, R.; Francisco, O.; Frank, M.; Frei, C.; Frosini, M.; Fu, J.; Furfaro, E.; Gallas, A., Torreira; Galli, D.; Gallorini, S.; Gambetta, S.; Gandelman, M.; Gandini, P.; Gao, Y.; García Pardiñas, J.; Garra Tico, J.; Garrido, L.; Gascon, D.; Gaspar, C.; Gauld, R.; Gavardi, L.; Gazzoni, G.; Gerick, D.; Gersabeck, E.; Gersabeck, M.; Gershon, T.; Ghez, Ph.; Gianì, S.; Gibson, V.; Girard, O. G.; Giubega, L.; Gligorov, V. V.; Göbel, C.; Golubkov, D.; Golutvin, A.; Gomes, A.; Gotti, C.; Grabalosa Gándara, M.; Graciani Diaz, R.; Granado Cardoso, L. A.; Graugés, E.; Graverini, E.; Graziani, G.; Grecu, A.; Greening, E.; Gregson, S.; Griffith, P.; Grillo, L.; Grünberg, O.; Gui, B.; Gushchin, E.; Guz, Yu.; Gys, T.; Hadavizadeh, T.; Hadjivasiliou, C.; Haefeli, G.; Haen, C.; Haines, S. C.; Hall, S.; Hamilton, B.; Han, X.; Hansmann-Menzemer, S.; Harnew, N.; Harnew, S. T.; Harrison, J.; He, J.; Head, T.; Heijne, V.; Hennessy, K.; Henrard, P.; Henry, L.; van Herwijnen, E.; Heß, M.; Hicheur, A.; Hill, D.; Hoballah, M.; Hombach, C.; Hulsbergen, W.; Humair, T.; Hussain, N.; Hutchcroft, D.; Hynds, D.; Idzik, M.; Ilten, P.; Jacobsson, R.; Jaeger, A.; Jalocha, J.; Jans, E.; Jawahery, A.; Jing; M. F., John; Johnson, D.; Jones, C. F.; Joram, C.; Jost, B.; Jurik, N.; Kandybei, S.; Kanso, W.; Karacson, M.; Karbach, T. M.; Karodia, S.; Kecke, M.; Kelsey, M.; Kenyon, I. R.; Kenzie, M.; Ketel, T.; Khanji, B.; Khurewathanakul, C.; Klaver, S.; Klimaszewski, K.; Kochebina, O.; Kolpin, M.; Komarov, I.; Koopman, R. F.; Koppenburg, P.; Kozeiha, M.; Kravchuk, L.; Kreplin, K.; Kreps, M.; Krocker, G.; Krokovny, P.; Kruse, F.; Krzemien, W.; Kucewicz, W.; Kucharczyk, M.; Kudryavtsev, V.; Kuonen, A. K.; Kurek, K.; Kvaratskheliya, T.; Lacarrere, D.; Lafferty, G.; Lai, A.; Lambert, D.; Lanfranchi, G.; Langenbruch, C.; Langhans, B.; Latham, T.; Lazzeroni, C.; Le Gac, R.; van Leerdam, J.; Lees, J.-P.; Lefèvre, R.; Leflat, A.; Lefrançois, J.; Cid Lemos, E.; Leroy, O.; Lesiak, T.; Leverington, B.; Li, Y.; Likhomanenko, T.; Liles, M.; Lindner, R.; Linn, C.; Lionetto, F.; Liu, B.; Liu, X.; Loh, D.; Longstaff, I.; Lopes, J. H.; Lucchesi, D.; Lucio Martinez, M.; Luo, H.; Lupato, A.; Luppi, E.; Lupton, O.; Lusiani, A.; Machefert, F.; Maciuc, F.; Maev, O.; Maguire, K.; Malde, S.; Malinin, A.; Manca, G.; Mancinelli, G.; Manning, P.; Mapelli, A.; Maratas, J.; Marchand, J. F.; Marconi, U.; Marin Benito, C.; Marino, P.; Marks, J.; Martellotti, G.; Martin, M.; Martinelli, M.; Martinez Santos, D.; Martinez Vidal, F.; Martins Tostes, D.; Massafferri, A.; Matev, R.; Mathad, A.; Mathe, Z.; Matteuzzi, C.; Mauri, A.; Maurin, B.; Mazurov, A.; McCann, M.; McCarthy, J.; McNab, A.; McNulty, R.; Meadows, B.; Meier, F.; Meissner, M.; Melnychuk, D.; Merk, M.; Michielin, E.; Milanes, D. A.; Minard, M.-N.; Mitzel, D. S.; Molina Rodriguez, J.; Monroy, I. A.; Monteil, S.; Morandin, M.; Morawski, P.; Mordà, A.; Morello, M. J.; Moron, J.; Morris, A. B.; Mountain, R.; Muheim, F.; Müller, D.; Müller, J.; Müller, K.; Müller, V.; Mussini, M.; Muster, B.; Naik, P.; Nakada, T.; Nandakumar, R.; Nandi, A.; Nasteva, I.; Needham, M.; Neri, N.; Neubert, S.; Neufeld, N.; Neuner, M.; Nguyen, A. D.; Nguyen, T. D.; Nguyen-Mau, C.; Niess, V.; Niet, R.; Nikitin, N.; Nikodem, T.; Ninci, D.; Novoselov, A.; O'Hanlon, D. P.; Oblakowska-Mucha, A.; Obraztsov, V.; Ogilvy, S.; Okhrimenko, O.; Oldeman, R.; Onderwater, C. J. G.; Osorio Rodrigues, B.; Otalora Goicochea, J. M.; Otto, A.; Owen, P.; Oyanguren, A.; Palano, A.; Palombo, F.; Palutan, M.; Panman, J.; Papanestis, A.; Pappagallo, M.; Pappalardo, L. L.; Pappenheimer, C.; Parkes, C.; Passaleva, G.; Patel, G. D.; Patel, M.; Patrignani, C.; Pearce, A.; Pellegrino, A.; Penso, G.; Pepe Altarelli, M.; Perazzini, S.; Perret, P.; Pescatore, L.; Petridis, K.; Petrolini, A.; Petruzzo, M.; Picatoste Olloqui, E.; Pietrzyk, B.; Pilař, T.; Pinci, D.; Pistone, A.; Piucci, A.; Playfer, S.; Plo Casasus, M.; Poikela, T.; Polci, F.; Poluektov, A.; Polyakov, I.; Polycarpo, E.; Popov, A.; Popov, D.; Popovici, B.; Potterat, C.; Price, E.; Price, J. D.; Prisciandaro, J.; Pritchard, A.; Prouve, C.; Pugatch, V.; Puig Navarro, A.; Punzi, G.; Qian, W.; Quagliani, R.; Rachwal, B.; Rademacker, J. H.; Rama, M.; Rangel, M. S.; Raniuk, I.; Rauschmayr, N.; Raven, G.; Redi, F.; Reichert, S.; Reid, M. M.; dos Reis, A. C.; Ricciardi, S.; Richards, S.; Rihl, M.; Rinnert, K.; Rives Molina, V.; Robbe, P.; Rodrigues Rodrigues, E. A. B.; Rodriguez Lopez, J. A.; Rodriguez Perez, P.; Roiser, S.; Romanovsky, V.; Romero Vidal A.; Ronayne, W. J.; Rotondo, M.; Rouvinet, J.; Ruf, T.; Ruiz Valls, P.; Saborido Silva, J. J.; Sagidova, N.; Sail, P.; Saitta, B.; Salustino, Guimaraes V.; Sanchez, Mayordomo S.; Sanmartin, Sedes B.; Santacesaria, R.; Santamarina, Rios C.; Santimaria, M.; Santovetti, E.; Sarti, A.; Satriano, C.; Satta, A.; Saunders, D. M.; Savrina, D.; Schiller, M.; Schindler, H.; Schlupp, M.; Schmelling, M.; Schmelzer, T.; Schmidt, B.; Schneider, O.; Schopper, A.; Schubiger, M.; Schune, M.-H.; Schwemmer, R.; Sciascia, B.; Sciubba, A.; Semennikov, A.; Serra, N.; Serrano, J.; Sestini, L.; Seyfert, P.; Shapkin, M.; Shapoval, I.; Shcheglov, Y.; Shears, T.; Shekhtman, L.; Shevchenko, V.; Shires, A.; Siddi, B. G.; Silva Coutinho, R.; Silva de Oliveira, L.; Simi, G.; Sirendi, M.; Skidmore, N.; Skwarnicki, T.; Smith, E.; Smith, E.; Smith, I. T.; Smith, J.; Smith, M.; Snoek, H.; Sokoloff, M. D.; Soler, F. J. P.; Soomro, F.; Souza, D.; Souza De Paula, B.; Spaan, B.; Spradlin, P.; Sridharan, S.; Stagni, F.; Stahl, M.; Stahl, S.; Stefkova, S.; Steinkamp, O.; Stenyakin, O.; Stevenson, S.; Stoica, S.; Stone, S.; Storaci, B.; Stracka, S.; Straticiuc, M.; Straumann, U.; Sun, L.; Sutcliffe, W.; Swientek, K.; Swientek, S.; Syropoulos, V.; Szczekowski, M.; Szczypka, P.; Szumlak, T.; T'Jampens, S.; Tayduganov, A.; Tekampe, T.; Teklishyn, M.; Tellarini, G.; Teubert, F.; Thomas, C.; E., Thomas; van Tilburg, J.; Tisserand, V.; Tobin, M.; Todd, J.; Tolk, S.; Tomassetti, L.; Tonelli, D.; Topp-Joergensen, S.; Torr, N.; Tournefier, E.; Tourneur, S.; Trabelsi, K.; M. T., Tran; Tresch, M.; Trisovic, A.; Tsaregorodtsev, A.; Tsopelas, P.; Tuning, N.; Ukleja, A.; Ustyuzhanin, A.; Uwer, U.; Vacca, C.; Vagnoni, V.; Valenti, G.; Vallier, A.; Vazquez Gomez, R.; Vazquez Regueiro, P.; Vázquez Sierra, C.; Vecchi, S.; Velthuis, J. J.; Veltri, M.; Veneziano, G.; Vesterinen, M.; Viaud, B.; Vieira, D.; Vieites Diaz, M.; Vilasis-Cardona, X.; Volkov, V.; Vollhardt, A.; Volyanskyy, D.; Voong, D.; Vorobyev, A.; Vorobyev, V.; Voß, C.; de Vries, J. A.; Waldi, R.; Wallace, C.; Wallace, R.; Walsh, J.; Wandernoth, S.; Wang, J.; Ward, D. R.; N. K., Watson; Websdale, D.; Weiden, A.; Whitehead, M.; Wilkinson, G.; Wilkinson, M.; Williams, M.; Williams, M. P.; Williams, M.; Williams, T.; Wilson, F. F.; Wimberley, J.; Wishahi, J.; Wislicki, W.; Witek, M.; Wormser, G.; Wotton, S. A.; Wright, S.; Wyllie, K.; Xie, Y.; Xu, Z.; Yang, Z.; Yu, Y.; Yuan, X.; Yushchenko, O.; Zangoli, M.; Zavertyaev, M.; Zhang, L.; Zhang, Y.; Zhelezov, A.; Zhokhov, A.; Zhong, L.; Zucchelli, S.; LHCb Collaboration

2016-01-01

The product of the differential production cross-section and the branching fraction of the decay is measured as a function of the beauty hadron transverse momentum, pT, and rapidity, y. The kinematic region of the measurements is pT < 20 GeV/c and 2.0 < y < 4.5. The measurements use a data sample corresponding to an integrated luminosity of 3fb-1 collected by the LHCb detector in pp collisions at centre-of-mass energies in 2011 and in 2012. Based on previous LHCb results of the fragmentation fraction ratio the branching fraction of the decay is measured to be where the first uncertainty is statistical, the second is systematic, the third is due to the uncertainty on the branching fraction of the decay B̅0 → J/ψK̅*(892)0, and the fourth is due to the knowledge of . The sum of the asymmetries in the production and decay between and is also measured as a function of pT and y. The previously published branching fraction of , relative to that of , is updated. The branching fractions of are determined. Supported by CERN and national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 (France); BMBF, DFG, HGF and MPG (Germany); INFN (Italy); FOM and NWO (The Netherlands); MNiSW and NCN (Poland); MEN/IFA (Romania); MinES and FANO (Russia); MinECo (Spain); SNSF and SER (Switzerland); NASU (Ukraine); STFC (United Kingdom); NSF (USA). The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). Individual groups or members have received support from EPLANET, Marie Skłodowska-Curie Actions and ERC (European Union), Conseil général de Haute-Savoie, Labex ENIGMASS and OCEVU, Région Auvergne (France), RFBR (Russia), XuntaGal and GENCAT (Spain), Royal Society and Royal Commission for the Exhibition of 1851 (United Kingdom).

Electrostatic Levitator (ESL)

NASA Technical Reports Server (NTRS)

1998-01-01

Dr. Rulison of Space System LORAl working with the Electrostatic Levitation (ESL) prior to the donation. Space System/LORAL donated the electrostatic containerless processing system to NASA's Marshall Space Flight Center (MSFC). The official hand over took place in July 1998.

In-Situ Measurements of Electrostatic Dust Transport on the Lunar Surface

NASA Astrophysics Data System (ADS)

Wang, X.; Sternovsky, Z.; Horanyi, M.

2018-02-01

A design of the Cubesat Electrostatic Dust Analyzer (CEDA) is described to verify and characterize the electrostatic dust transport process on the lunar surface and to estimate its effect on the surface evolution.

Hybrid Electrostatic/Acoustic Levitator

NASA Technical Reports Server (NTRS)

Rhim, Won K.; Trinh, Eugene H.; Chung, Sang K.; Elleman, Daniel D.

1987-01-01

Because electrostatic and acoustic forces independent of each other, hybrid levitator especially suitable for studies of drop dynamics. Like all-acoustic or all-electrostatic systems, also used in studies of containerless material processing. Vertical levitating force applied to sample by upper and lower electrodes. Torques or vibrational forces in horizontal plane applied by acoustic transducers. Electrically charged water drop about 4 mm in diameter levitated electrostatically and rotated acoustically until it assumed dumbell shape and broke apart.

A small-gap electrostatic micro-actuator for large deflections

PubMed Central

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

Electrostatics at the nanoscale.

PubMed

Walker, David A; Kowalczyk, Bartlomiej; de la Cruz, Monica Olvera; Grzybowski, Bartosz A

2011-04-01

Electrostatic forces are amongst the most versatile interactions to mediate the assembly of nanostructured materials. Depending on experimental conditions, these forces can be long- or short-ranged, can be either attractive or repulsive, and their directionality can be controlled by the shapes of the charged nano-objects. This Review is intended to serve as a primer for experimentalists curious about the fundamentals of nanoscale electrostatics and for theorists wishing to learn about recent experimental advances in the field. Accordingly, the first portion introduces the theoretical models of electrostatic double layers and derives electrostatic interaction potentials applicable to particles of different sizes and/or shapes and under different experimental conditions. This discussion is followed by the review of the key experimental systems in which electrostatic interactions are operative. Examples include electroactive and "switchable" nanoparticles, mixtures of charged nanoparticles, nanoparticle chains, sheets, coatings, crystals, and crystals-within-crystals. Applications of these and other structures in chemical sensing and amplification are also illustrated.

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

NASA Astrophysics Data System (ADS)

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%.

Electrostatic thin film chemical and biological sensor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prelas, Mark A.; Ghosh, Tushar K.; Tompson, Jr., Robert V.

A chemical and biological agent sensor includes an electrostatic thin film supported by a substrate. The film includes an electrostatic charged surface to attract predetermined biological and chemical agents of interest. A charge collector associated with said electrostatic thin film collects charge associated with surface defects in the electrostatic film induced by the predetermined biological and chemical agents of interest. A preferred sensing system includes a charge based deep level transient spectroscopy system to read out charges from the film and match responses to data sets regarding the agents of interest. A method for sensing biological and chemical agents includesmore » providing a thin sensing film having a predetermined electrostatic charge. The film is exposed to an environment suspected of containing the biological and chemical agents. Quantum surface effects on the film are measured. Biological and/or chemical agents can be detected, identified and quantified based on the measured quantum surface effects.« less

Interaction of Charged Patchy Protein Models with Like-Charged Polyelectrolyte Brushes.

PubMed

Yigit, Cemil; Kanduč, Matej; Ballauff, Matthias; Dzubiella, Joachim

2017-01-10

We study the adsorption of charged patchy particle models (CPPMs) on a thin film of a like-charged and dense polyelectrolyte (PE) brush (of 50 monomers per chain) by means of implicit-solvent, explicit-salt Langevin dynamics computer simulations. Our previously introduced set of CPPMs embraces well-defined one- and two-patched spherical globules, each of the same net charge and (nanometer) size, with mono- and multipole moments comparable to those of small globular proteins. We focus on electrostatic effects on the adsorption far away from the isoelectric point of typical proteins, i.e., where charge regulation plays no role. Despite the same net charge of the brush and globule, we observe large binding affinities up to tens of the thermal energy, k B T, which are enhanced by decreasing salt concentration and increasing charge of the patch(es). Our analysis of the distance-resolved potentials of mean force together with a phenomenological description of all leading interaction contributions shows that the attraction is strongest at the brush surface, driven by multipolar, Born (self-energy), and counterion-release contributions, dominating locally over the monopolar and steric repulsions.

Effect of enhanced ionizing radiation on the cloud electricity after the Fukushima nuclear accident

NASA Astrophysics Data System (ADS)

Yamauchi, Masatoshi; Takeda, Masahiko; Nagamachi, Shingo

2018-03-01

The vertical downward component of the DC atmospheric electric field, or potential gradient (PG), at Kakioka 150 km southwest of the Fukushima Dai-ichi Nuclear Power Plant (FNPP1) was analyzed before and after the FNPP1 accident to examine possible influence of floating radioactive particles on the PG under the highly electrified clouds. Using 1-min PG data from March 13 to April 30 (late April 2011 corresponding to the time when floating radioactive materials decreased significantly) from 2006 to 2015, time profiles to/from the PG peaks (<- 100 or >+ 100 V/m) for 2011 are compared with other years. The PG developed toward and decays from its negative peaks faster in the first 50 days after the FNPP1 accident than for the same period in other years, making the 10-min averaged PG values for the same negative PG peak higher (smaller in terms of absolute value) during the first 50 days after the FNPP1 accident than those in other years in the study period, while the distribution of peak PG values is similar between 2011 and the other years. The observed shortening of the timescale is symmetric between the rise and decay and is the most clear when the negative PG peak is about - 200 to - 400 V/m. For positive peaks, the change of the baseline resulting from the radioactive contamination on the ground in 2011 caused superficial difference on such time profiles. Otherwise, there are no significant difference between 2011 and the other years. Possible explanations based on increased ionizing radiation from floating radioactive particles, which are found to be concentrated at low altitudes (< 500 m according to radiosonde in-situ observations of gamma rays) where negative cloud charges normally exceed positive charges, are discussed. The scenarios discussed include enhanced electrostatic shielding and electric conductivity-led decay rate of cloud charges. The result opens up a new possibility of using PG as an independent monitor of radioactivity at some altitudes in case of nuclear accidents.

Pyrotechnic hazards classification and evaluation program. Electrostatic vulnerability of the E8 and XM15/XM165 clusters, phase 1

NASA Technical Reports Server (NTRS)

1970-01-01

A survey of the electrostatic vulnerability of explosive manufacturing plants and recommendations for reducing the vulnerability are discussed. During the course of the investigations, the XM15/XM165 and the E8 launcher were shown to be susceptible to electrostatic ignition. The pyrotechnic hazard of prime concern associated with electrostatics is that of the spark which can be generated. The heat, shock, and ionization produced by the spark can cause ignition of pyrotechnics. However, as a result of the initial ignition tests (XM15 fuse train), changes have been incorporated to make the fusing system relatively safe from premature electrostatic activation.

Electrostatically tunable resonance frequency beam utilizing a stress-sensitive film

DOEpatents

Thundat, Thomas G.; Wachter, Eric A.; Davis, J. Kenneth

2001-01-01

Methods and apparatus for detecting particular frequencies of acoustic vibration utilize an electrostatically-tunable beam element having a stress-sensitive coating and means for providing electrostatic force to controllably deflect the beam element thereby changing its stiffness and its resonance frequency. It is then determined from the response of the electrostatically-tunable beam element to the acoustical vibration to which the beam is exposed whether or not a particular frequency or frequencies of acoustic vibration are detected.

ELECTROSTATIC ACCELERATORS (in French)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gerbier, R.

1962-04-01

The various methods presently in use for producing the continuous high voltage necessary for the operation of electrostatic accelerators are reviewed. The methods considered are voltage multiplier units (Greinacher and Morganstern types) and electrostatic instruments (Van de Graaff and Trump machines and Felici rotnting cylinder instruments). The electrostatic accelerators used at Grenoble which give currents of several milliamperes at voltages up to 1.2 Mv are described. In this energy region electron accelerators and neutron generators offer very interesting possibilities. (auth)

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

NASA Astrophysics Data System (ADS)

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.

Teaching Electrostatics in University Courses

ERIC Educational Resources Information Center

Hughes, J. F.

1974-01-01

Describes an optional course on applied electrostatics that was offered to electrical engineers in their final year. Topics included the determination of electric fields, nature of the charging process, static electricity in liquids, solid state processes, charged particle applications, and electrostatic ignition. (GS)

LAFARA: a new underground laboratory in the French Pyrénées for ultra low-level gamma-ray spectrometry.

PubMed

van Beek, P; Souhaut, M; Lansard, B; Bourquin, M; Reyss, J-L; von Ballmoos, P; Jean, P

2013-02-01

We describe a new underground laboratory, namely LAFARA (for "LAboratoire de mesure des FAibles RAdioactivités"), that was recently created in the French Pyrénées. This laboratory is primarily designed to analyze environmental samples that display low radioactivity levels using gamma-ray spectrometry. Two high-purity germanium detectors were placed under 85 m of rock (ca. 215 m water equivalent) in the tunnel of Ferrières (Ariège, France). The background is thus reduced by a factor of ∼20 in comparison to above-ground laboratories. Both detectors are fully equipped so that the samples can be analyzed in an automatic mode without requiring permanent presence of a technician in the laboratory. Auto-samplers (twenty positions) and systems to fill liquid nitrogen automatically provide one month of autonomy to the spectrometers. The LAFARA facility allows us to develop new applications in the field of environmental sciences based on the use of natural radionuclides present at low levels in the environment. As an illustration, we present two of these applications: i) dating of marine sediments using the decay of (226)Ra in sedimentary barite (BaSO(4)), ii) determination of (227)Ac ((231)Pa) activities in marine sediment cores. Copyright © 2012 Elsevier Ltd. All rights reserved.

Protonmotive force: development of electrostatic drivers for synthetic molecular motors.

PubMed

Crowley, James D; Steele, Ian M; Bosnich, Brice

2006-12-04

Ferrocene has been investigated as a platform for developing protonmotive electrostatic drivers for molecular motors. When two 3-pyridine groups are substituted to the (rapidly rotating) cyclopentadienyl (Cp) rings of ferrocene, one on each Cp, it is shown that the (Cp) eclipsed, pi-stacked rotameric conformation is preferred both in solution and in the solid state. Upon quaternization of both of the pyridines substituents, either by protonation or by alkylation, it is shown that the preferred rotameric conformation is one where the pyridinium groups are rotated away from the fully pi-stacked conformation. Electrostatic calculations indicate that the rotation is caused by the electrostatic repulsion between the charges. Consistently, when the pi-stacking energy is increased pi-stacked population increases, and conversely when the electrostatic repulsion is increased pi-stacked population is decreased. This work serves to provide an approximate estimate of the amount of torque that the electrostatically driven ferrocene platform can generate when incorporated into a molecular motor. The overall conclusion is that the electrostatic interaction energy between dicationic ferrocene dipyridyl systems is similar to the pi-stacking interaction energy and, consequently, at least tricationic systems are required to fully uncouple the pi-stacked pyridine substituents.

Material Science Smart Coatings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rubinstein, A. I.; Sabirianov, R. F.; Namavar, Fereydoon

2014-07-01

The contribution of electrostatic interactions to the free energy of binding between model protein and a ceramic implant surface in the aqueous solvent, considered in the framework of the nonlocal electrostatic model, is calculated as a function of the implant low-frequency dielectric constant. We show that the existence of a dynamically ordered (low-dielectric) interfacial solvent layer at the protein-solvent and ceramic-solvent interface markedly increases charging energy of the protein and ceramic implant, and consequently makes the electrostatic contribution to the protein-ceramic binding energy more favorable (attractive). Our analysis shows that the corresponding electrostatic energy between protein and oxide ceramics dependsmore » nonmonotonically on the dielectric constant of ceramic, ε C. Obtained results indicate that protein can attract electrostatically to the surface if ceramic material has a moderate ε C below or about 35 (in particularly ZrO 2 or Ta 2O 5). This is in contrast to classical (local) consideration of the solvent, which demonstrates an unfavorable electrostatic interaction of protein with typical metal oxide ceramic materials (ε C>10). Thus, a solid implant coated by combining oxide ceramic with a reduced dielectric constant can be beneficial to strengthen the electrostatic binding of the protein-implant complex.« less

SMPBS: Web server for computing biomolecular electrostatics using finite element solvers of size modified Poisson-Boltzmann equation.

PubMed

Xie, Yang; Ying, Jinyong; Xie, Dexuan

2017-03-30

SMPBS (Size Modified Poisson-Boltzmann Solvers) is a web server for computing biomolecular electrostatics using finite element solvers of the size modified Poisson-Boltzmann equation (SMPBE). SMPBE not only reflects ionic size effects but also includes the classic Poisson-Boltzmann equation (PBE) as a special case. Thus, its web server is expected to have a broader range of applications than a PBE web server. SMPBS is designed with a dynamic, mobile-friendly user interface, and features easily accessible help text, asynchronous data submission, and an interactive, hardware-accelerated molecular visualization viewer based on the 3Dmol.js library. In particular, the viewer allows computed electrostatics to be directly mapped onto an irregular triangular mesh of a molecular surface. Due to this functionality and the fast SMPBE finite element solvers, the web server is very efficient in the calculation and visualization of electrostatics. In addition, SMPBE is reconstructed using a new objective electrostatic free energy, clearly showing that the electrostatics and ionic concentrations predicted by SMPBE are optimal in the sense of minimizing the objective electrostatic free energy. SMPBS is available at the URL: smpbs.math.uwm.edu © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

AN ELECTROSTATIC PRECIPITATOR BACKUP FOR SAMPLING SYSTEMS

EPA Science Inventory

The report describes a program carried out to design and evaluate the performance of an electrostatic collector to be used as an alternative to filters as a fine particle collector. Potential advantages of an electrostatic precipitator are low pressure drop and high capacity. Pot...

Development of position-sensitive time-of-flight spectrometer for fission fragment research

DOE PAGES

Arnold, C. W.; Tovesson, F.; Meierbachtol, K.; ...

2014-07-09

A position-sensitive, high-resolution time-of-flight detector for fission fragments has been developed. The SPectrometer for Ion DEtermination in fission Research (SPIDER) is a 2E–2v spectrometer designed to measure the mass of light fission fragments to a single mass unit. The time pick-off detector pairs to be used in SPIDER have been tested with α-particles from 229Th and its decay chain and α-particles and spontaneous fission fragments from 252Cf. Each detector module is comprised of thin electron conversion foil, electrostatic mirror, microchannel plates, and delay-line anodes. Particle trajectories on the order of 700 mm are determined accurately to within 0.7 mm. Flightmore » times were measured with 250 ps resolution FWHM. Computed particle velocities are accurate to within 0.06 mm/ns corresponding to a precision of 0.5%. As a result, an ionization chamber capable of 400 keV energy resolution coupled with the velocity measurements described here will pave the way for modestly efficient measurements of light fission fragments with unit mass resolution.« less

Continuity properties of the semi-group and its integral kernel in non-relativistic QED

NASA Astrophysics Data System (ADS)

Matte, Oliver

2016-07-01

Employing recent results on stochastic differential equations associated with the standard model of non-relativistic quantum electrodynamics by B. Güneysu, J. S. Møller, and the present author, we study the continuity of the corresponding semi-group between weighted vector-valued Lp-spaces, continuity properties of elements in the range of the semi-group, and the pointwise continuity of an operator-valued semi-group kernel. We further discuss the continuous dependence of the semi-group and its integral kernel on model parameters. All these results are obtained for Kato decomposable electrostatic potentials and the actual assumptions on the model are general enough to cover the Nelson model as well. As a corollary, we obtain some new pointwise exponential decay and continuity results on elements of low-energetic spectral subspaces of atoms or molecules that also take spin into account. In a simpler situation where spin is neglected, we explain how to verify the joint continuity of positive ground state eigenvectors with respect to spatial coordinates and model parameters. There are no smallness assumptions imposed on any model parameter.

NIMROD resistive magnetohydrodynamic simulations of spheromak physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hooper, E. B.; Cohen, B. I.; McLean, H. S.

The physics of spheromak plasmas is addressed by time-dependent, three-dimensional, resistive magnetohydrodynamic simulations with the NIMROD code [C. R. Sovinec et al., J. Comput. Phys. 195, 355 (2004)]. Included in some detail are the formation of a spheromak driven electrostatically by a coaxial plasma gun with a flux-conserver geometry and power systems that accurately model the sustained spheromak physics experiment [R. D. Wood et al., Nucl. Fusion 45, 1582 (2005)]. The controlled decay of the spheromak plasma over several milliseconds is also modeled as the programmable current and voltage relax, resulting in simulations of entire experimental pulses. Reconnection phenomena andmore » the effects of current profile evolution on the growth of symmetry-breaking toroidal modes are diagnosed; these in turn affect the quality of magnetic surfaces and the energy confinement. The sensitivity of the simulation results addresses variations in both physical and numerical parameters, including spatial resolution. There are significant points of agreement between the simulations and the observed experimental behavior, e.g., in the evolution of the magnetics and the sensitivity of the energy confinement to the presence of symmetry-breaking magnetic fluctuations.« less

NIMROD Resistive Magnetohydrodynamic Simulations of Spheromak Physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hooper, E B; Cohen, B I; McLean, H S

The physics of spheromak plasmas is addressed by time-dependent, three-dimensional, resistive magneto-hydrodynamic simulations with the NIMROD code. Included in some detail are the formation of a spheromak driven electrostatically by a coaxial plasma gun with a flux-conserver geometry and power systems that accurately model the Sustained Spheromak Physics Experiment (SSPX) (R. D. Wood, et al., Nucl. Fusion 45, 1582 (2005)). The controlled decay of the spheromak plasma over several milliseconds is also modeled as the programmable current and voltage relax, resulting in simulations of entire experimental pulses. Reconnection phenomena and the effects of current profile evolution on the growth ofmore » symmetry-breaking toroidal modes are diagnosed; these in turn affect the quality of magnetic surfaces and the energy confinement. The sensitivity of the simulation results address variations in both physical and numerical parameters, including spatial resolution. There are significant points of agreement between the simulations and the observed experimental behavior, e.g., in the evolution of the magnetics and the sensitivity of the energy confinement to the presence of symmetry-breaking magnetic fluctuations.« less

VASP-E: Specificity Annotation with a Volumetric Analysis of Electrostatic Isopotentials

PubMed Central

Chen, Brian Y.

2014-01-01

Algorithms for comparing protein structure are frequently used for function annotation. By searching for subtle similarities among very different proteins, these algorithms can identify remote homologs with similar biological functions. In contrast, few comparison algorithms focus on specificity annotation, where the identification of subtle differences among very similar proteins can assist in finding small structural variations that create differences in binding specificity. Few specificity annotation methods consider electrostatic fields, which play a critical role in molecular recognition. To fill this gap, this paper describes VASP-E (Volumetric Analysis of Surface Properties with Electrostatics), a novel volumetric comparison tool based on the electrostatic comparison of protein-ligand and protein-protein binding sites. VASP-E exploits the central observation that three dimensional solids can be used to fully represent and compare both electrostatic isopotentials and molecular surfaces. With this integrated representation, VASP-E is able to dissect the electrostatic environments of protein-ligand and protein-protein binding interfaces, identifying individual amino acids that have an electrostatic influence on binding specificity. VASP-E was used to examine a nonredundant subset of the serine and cysteine proteases as well as the barnase-barstar and Rap1a-raf complexes. Based on amino acids established by various experimental studies to have an electrostatic influence on binding specificity, VASP-E identified electrostatically influential amino acids with 100% precision and 83.3% recall. We also show that VASP-E can accurately classify closely related ligand binding cavities into groups with different binding preferences. These results suggest that VASP-E should prove a useful tool for the characterization of specific binding and the engineering of binding preferences in proteins. PMID:25166865

Three-dimensional structural modelling and calculation of electrostatic potentials of HLA Bw4 and Bw6 epitopes to explain the molecular basis for alloantibody binding: toward predicting HLA antigenicity and immunogenicity.

PubMed

Mallon, Dermot H; Bradley, J Andrew; Winn, Peter J; Taylor, Craig J; Kosmoliaptsis, Vasilis

2015-02-01

We have previously shown that qualitative assessment of surface electrostatic potential of HLA class I molecules helps explain serological patterns of alloantibody binding. We have now used a novel computational approach to quantitate differences in surface electrostatic potential of HLA B-cell epitopes and applied this to explain HLA Bw4 and Bw6 antigenicity. Protein structure models of HLA class I alleles expressing either the Bw4 or Bw6 epitope (defined by sequence motifs at positions 77 to 83) were generated using comparative structure prediction. The electrostatic potential in 3-dimensional space encompassing the Bw4/Bw6 epitope was computed by solving the Poisson-Boltzmann equation and quantitatively compared in a pairwise, all-versus-all fashion to produce distance matrices that cluster epitopes with similar electrostatics properties. Quantitative comparison of surface electrostatic potential at the carboxyl terminal of the α1-helix of HLA class I alleles, corresponding to amino acid sequence motif 77 to 83, produced clustering of HLA molecules in 3 principal groups according to Bw4 or Bw6 epitope expression. Remarkably, quantitative differences in electrostatic potential reflected known patterns of serological reactivity better than Bw4/Bw6 amino acid sequence motifs. Quantitative assessment of epitope electrostatic potential allowed the impact of known amino acid substitutions (HLA-B*07:02 R79G, R82L, G83R) that are critical for antibody binding to be predicted. We describe a novel approach for quantitating differences in HLA B-cell epitope electrostatic potential. Proof of principle is provided that this approach enables better assessment of HLA epitope antigenicity than amino acid sequence data alone, and it may allow prediction of HLA immunogenicity.

Optimization of binding electrostatics: Charge complementarity in the barnase-barstar protein complex

PubMed Central

lee, Lee-Peng; Tidor, Bruce

2001-01-01

Theoretical and experimental studies have shown that the large desolvation penalty required for polar and charged groups frequently precludes their involvement in electrostatic interactions that contribute strongly to net stability in the folding or binding of proteins in aqueous solution near room temperature. We have previously developed a theoretical framework for computing optimized electrostatic interactions and illustrated use of the algorithm with simplified geometries. Given a receptor and model assumptions, the method computes the ligand-charge distribution that provides the most favorable balance of desolvation and interaction effects on binding. In this paper the method has been extended to treat complexes using actual molecular shapes. The barnase-barstar protein complex was investigated with barnase treated as a target receptor. The atomic point charges of barstar were varied to optimize the electrostatic binding free energy. Barnase and natural barstar form a tight complex (Kd ∼ 10−14 M) with many charged and polar groups near the interface that make this a particularly relevant system for investigating the role of electrostatic effects on binding. The results show that sets of barstar charges (resulting from optimization with different constraints) can be found that give rise to relatively large predicted improvements in electrostatic binding free energy. Principles for enhancing the effect of electrostatic interactions in molecular binding in aqueous environments are discussed in light of the optima. Our findings suggest that, in general, the enhancements in electrostatic binding free energy resulting from modification of polar and charged groups can be substantial. Moreover, a recently proposed definition of electrostatic complementarity is shown to be a useful tool for examining binding interfaces. Finally, calculational results suggest that wild-type barstar is closer to being affinity optimized than is barnase for their mutual binding, consistent with the known roles of these proteins. PMID:11266622

Electrostatic orientation of the electron-transfer complex between plastocyanin and cytochrome c.

PubMed

Roberts, V A; Freeman, H C; Olson, A J; Tainer, J A; Getzoff, E D

1991-07-15

To understand the specificity and efficiency of protein-protein interactions promoting electron transfer, we evaluated the role of electrostatic forces in precollision orientation by the development of two new methods, computer graphics alignment of protein electrostatic fields and a systematic orientational search of intermolecular electrostatic energies for two proteins at present separation distances. We applied these methods to the plastocyanin/cytochrome c interaction, which is faster than random collision, but too slow for study by molecular dynamics techniques. Significant electrostatic potentials were concentrated on one-fourth (969 A2) of the plastocyanin surface, with the greatest negative potential centered on the Tyr-83 hydroxyl within the acidic patch, and on one-eighth (632 A2) of the cytochrome c surface, with the greatest positive potential centered near the exposed heme edge. Coherent electrostatic fields occurred only over these regions, suggesting that local, rather than global, charge complementarity controls productive recognition. The three energetically favored families of pre-collision orientations all directed the positive region surrounding the heme edge of cytochrome c toward the acidic patch of plastocyanin but differed in heme plane orientation. Analysis of electrostatic fields, electrostatic energies of precollision orientations with 12 and 6 A separation distances, and surface topographies suggested that the favored orientations should converge to productive complexes promoting a single electron-transfer pathway from the cytochrome c heme edge to Tyr-83 of plastocyanin. Direct interactions of the exposed Cu ligand in plastocyanin with the cytochrome c heme edge are not unfavorable sterically or electrostatically but should occur no faster than randomly, indicating that this is not the primary pathway for electron transfer.

Ferroelectric hydration shells around proteins: electrostatics of the protein-water interface.

PubMed

LeBard, David N; Matyushov, Dmitry V

2010-07-22

Numerical simulations of hydrated proteins show that protein hydration shells are polarized into a ferroelectric layer with large values of the average dipole moment magnitude and the dipole moment variance. The emergence of the new polarized mesophase dramatically alters the statistics of electrostatic fluctuations at the protein-water interface. The linear response relation between the average electrostatic potential and its variance breaks down, with the breadth of the electrostatic fluctuations far exceeding the expectations of the linear response theories. The dynamics of these non-Gaussian electrostatic fluctuations are dominated by a slow (approximately = 1 ns) component that freezes in at the temperature of the dynamical transition of proteins. The ferroelectric shell propagates 3-5 water diameters into the bulk.

Electrostatic Phenomena on Planetary Surfaces

NASA Astrophysics Data System (ADS)

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.

Using Programmable Calculators to Solve Electrostatics Problems.

ERIC Educational Resources Information Center

Yerian, Stephen C.; Denker, Dennis A.

1985-01-01

Provides a simple routine which allows first-year physics students to use programmable calculators to solve otherwise complex electrostatic problems. These problems involve finding electrostatic potential and electric field on the axis of a uniformly charged ring. Modest programing skills are required of students. (DH)

Edutainment Science: Electrostatics

ERIC Educational Resources Information Center

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…

Numerical Investigation of Two-Phase Flows With Charged Droplets in Electrostatic Field

NASA Technical Reports Server (NTRS)

Kim, Sang-Wook

1996-01-01

A numerical method to solve two-phase turbulent flows with charged droplets in an electrostatic field is presented. The ensemble-averaged Navier-Stokes equations and the electrostatic potential equation are solved using a finite volume method. The transitional turbulence field is described using multiple-time-scale turbulence equations. The equations of motion of droplets are solved using a Lagrangian particle tracking scheme, and the inter-phase momentum exchange is described by the Particle-In-Cell scheme. The electrostatic force caused by an applied electrical potential is calculated using the electrostatic field obtained by solving a Laplacian equation and the force exerted by charged droplets is calculated using the Coulombic force equation. The method is applied to solve electro-hydrodynamic sprays. The calculated droplet velocity distributions for droplet dispersions occurring in a stagnant surrounding are in good agreement with the measured data. For droplet dispersions occurring in a two-phase flow, the droplet trajectories are influenced by aerodynamic forces, the Coulombic force, and the applied electrostatic potential field.

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

PubMed

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.

A Nonlinear Elasticity Model of Macromolecular Conformational Change Induced by Electrostatic Forces

PubMed Central

Zhou, Y. C.; Holst, Michael; McCammon, J. Andrew

2008-01-01

In this paper we propose a nonlinear elasticity model of macromolecular conformational change (deformation) induced by electrostatic forces generated by an implicit solvation model. The Poisson-Boltzmann equation for the electrostatic potential is analyzed in a domain varying with the elastic deformation of molecules, and a new continuous model of the electrostatic forces is developed to ensure solvability of the nonlinear elasticity equations. We derive the estimates of electrostatic forces corresponding to four types of perturbations to an electrostatic potential field, and establish the existance of an equilibrium configuration using a fixed-point argument, under the assumption that the change in the ionic strength and charges due to the additional molecules causing the deformation are sufficiently small. The results are valid for elastic models with arbitrarily complex dielectric interfaces and cavities, and can be generalized to large elastic deformation caused by high ionic strength, large charges, and strong external fields by using continuation methods. PMID:19461946

Geometric and electrostatic modeling using molecular rigidity functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mu, Lin; Xia, Kelin; Wei, Guowei

Geometric and electrostatic modeling is an essential component in computational biophysics and molecular biology. Commonly used geometric representations admit geometric singularities such as cusps, tips and self-intersecting facets that lead to computational instabilities in the molecular modeling. Our present work explores the use of flexibility and rigidity index (FRI), which has a proved superiority in protein B-factor prediction, for biomolecular geometric representation and associated electrostatic analysis. FRI rigidity surfaces are free of geometric singularities. We propose a rigidity based Poisson–Boltzmann equation for biomolecular electrostatic analysis. These approaches to surface and electrostatic modeling are validated by a set of 21 proteins.more » Our results are compared with those of established methods. Finally, being smooth and analytically differentiable, FRI rigidity functions offer excellent curvature analysis, which characterizes concave and convex regions on protein surfaces. Polarized curvatures constructed by using the product of minimum curvature and electrostatic potential is shown to predict potential protein–ligand binding sites.« less

Electrostatic effects on hyaluronic acid configuration

NASA Astrophysics Data System (ADS)

Berezney, John; Saleh, Omar

2015-03-01

In systems of polyelectrolytes, such as solutions of charged biopolymers, the electrostatic repulsion between charged monomers plays a dominant role in determining the molecular conformation. Altering the ionic strength of the solvent thus affects the structure of such a polymer. Capturing this electrostatically-driven structural dependence is important for understanding many biological systems. Here, we use single molecule manipulation experiments to collect force-extension behavior on hyaluronic acid (HA), a polyanion which is a major component of the extracellular matrix in all vertebrates. By measuring HA elasticity in a variety of salt conditions, we are able to directly assess the contribution of electrostatics to the chain's self-avoidance and local stiffness. Similar to recent results from our group on single-stranded nucleic acids, our data indicate that HA behaves as a swollen chain of electrostatic blobs, with blob size proportional to the solution Debye length. Our data indicate that the chain structure within the blob is not worm-like, likely due to long-range electrostatic interactions. We discuss potential models of this effect.

Geometric and electrostatic modeling using molecular rigidity functions

DOE PAGES

Mu, Lin; Xia, Kelin; Wei, Guowei

2017-03-01

Geometric and electrostatic modeling is an essential component in computational biophysics and molecular biology. Commonly used geometric representations admit geometric singularities such as cusps, tips and self-intersecting facets that lead to computational instabilities in the molecular modeling. Our present work explores the use of flexibility and rigidity index (FRI), which has a proved superiority in protein B-factor prediction, for biomolecular geometric representation and associated electrostatic analysis. FRI rigidity surfaces are free of geometric singularities. We propose a rigidity based Poisson–Boltzmann equation for biomolecular electrostatic analysis. These approaches to surface and electrostatic modeling are validated by a set of 21 proteins.more » Our results are compared with those of established methods. Finally, being smooth and analytically differentiable, FRI rigidity functions offer excellent curvature analysis, which characterizes concave and convex regions on protein surfaces. Polarized curvatures constructed by using the product of minimum curvature and electrostatic potential is shown to predict potential protein–ligand binding sites.« less

Nanoscale charge transfer and diffusion at the MoS2/SiO2 interface by atomic force microscopy: contact injection versus triboelectrification.

PubMed

Xu, Rui; Ye, Shili; Xu, Kunqi; Lei, Le; Hussain, Sabir; Zheng, Zhiyue; Pang, Fei; Xing, Shuya; Liu, Xinmeng; Ji, Wei; Cheng, Zhihai

2018-08-31

Understanding the process of charge generation, transfer, and diffusion between two-dimensional (2D) materials and their supporting substrates is very important for potential applications of 2D materials. Compared with the systematic studies of triboelectric charging in a bulk sample, a fundamental understanding of the triboelectrification of the 2D material/insulator system is rather limited. Here, the charge transfer and diffusion of both the SiO 2 surface and MoS 2 /SiO 2 interface through contact electrification and frictional electrification are investigated systematically in situ by scanning Kelvin probe microscopy and dual-harmonic electrostatic force microscopy. Different from the simple static charge transfer between SiO 2 and the PtSi alloy atomic force microscope (AFM) tip, the charge transfer between the tip and the MoS 2 /SiO 2 system is complicated. Triboelectric charges, generated by contact or frictional electrification with the AFM tip, are trapped at the MoS 2 /SiO 2 interface and act as floating gates. The local charge discharge processes can be obtained by monitoring the surface potential. The charge decay time (τ) of the MoS 2 /SiO 2 interface is one (or two) orders of magnitude larger than the decay time τ of the SiO 2 surface. This work facilitates an understanding of the triboelectric and de-electrification of the interface between 2D materials and substrates. In addition to the charge transfer and diffusion, we demonstrate the nanopatterns of surface and interfacial charges, which have great potential for the application of self-assembly of charged nanostructures.

Optimization design combined with coupled structural-electrostatic analysis for the electrostatically controlled deployable membrane reflector

NASA Astrophysics Data System (ADS)

Liu, Chao; Yang, Guigeng; Zhang, Yiqun

2015-01-01

The electrostatically controlled deployable membrane reflector (ECDMR) is a promising scheme to construct large size and high precision space deployable reflector antennas. This paper presents a novel design method for the large size and small F/D ECDMR considering the coupled structure-electrostatic problem. First, the fully coupled structural-electrostatic system is described by a three field formulation, in which the structure and passive electrical field is modeled by finite element method, and the deformation of the electrostatic domain is predicted by a finite element formulation of a fictitious elastic structure. A residual formulation of the structural-electrostatic field finite element model is established and solved by Newton-Raphson method. The coupled structural-electrostatic analysis procedure is summarized. Then, with the aid of this coupled analysis procedure, an integrated optimization method of membrane shape accuracy and stress uniformity is proposed, which is divided into inner and outer iterative loops. The initial state of relatively high shape accuracy and uniform stress distribution is achieved by applying the uniform prestress on the membrane design shape and optimizing the voltages, in which the optimal voltage is computed by a sensitivity analysis. The shape accuracy is further improved by the iterative prestress modification using the reposition balance method. Finally, the results of the uncoupled and coupled methods are compared and the proposed optimization method is applied to design an ECDMR. The results validate the effectiveness of this proposed methods.

Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii

PubMed Central

2012-01-01

Background The Poisson-Boltzmann (PB) equation and its linear approximation have been widely used to describe biomolecular electrostatics. Generalized Born (GB) models offer a convenient computational approximation for the more fundamental approach based on the Poisson-Boltzmann equation, and allows estimation of pairwise contributions to electrostatic effects in the molecular context. Results We have implemented in a single program most common analyses of the electrostatic properties of proteins. The program first computes generalized Born radii, via a surface integral and then it uses generalized Born radii (using a finite radius test particle) to perform electrostic analyses. In particular the ouput of the program entails, depending on user's requirement: 1) the generalized Born radius of each atom; 2) the electrostatic solvation free energy; 3) the electrostatic forces on each atom (currently in a dvelopmental stage); 4) the pH-dependent properties (total charge and pH-dependent free energy of folding in the pH range -2 to 18; 5) the pKa of all ionizable groups; 6) the electrostatic potential at the surface of the molecule; 7) the electrostatic potential in a volume surrounding the molecule; Conclusions Although at the expense of limited flexibility the program provides most common analyses with requirement of a single input file in PQR format. The results obtained are comparable to those obtained using state-of-the-art Poisson-Boltzmann solvers. A Linux executable with example input and output files is provided as supplementary material. PMID:22536964

DEVELOPMENT OF A MODEL THAT CONTAINS BOTH MULTIPOLE MOMENTS AND GAUSSIANS FOR THE CALCULATION OF MOLECULAR ELECTROSTATIC POTENTIALS

EPA Science Inventory

The electrostatic interaction is a critical component of intermolecular interactions in biological processes. Rapid methods for the computation and characterization of the molecular electrostatic potential (MEP) that segment the molecular charge distribution and replace this cont...

Electrostatics with Computer-Interfaced Charge Sensors

ERIC Educational Resources Information Center

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,…

Heterogeneous mass transfer in HRE in the presence of electrostatic field research

NASA Astrophysics Data System (ADS)

Reshetnikov, S. M.; Zyryanov, I. A.; Budin, A. G.; Pozolotin, A. P.

2017-01-01

The paper presents research results of polymethylmethacrylate (PMMA) combustion in a hybrid rocket engine (HRE) under the influence of an electrostatic field. It is shown that the main mechanism of electrostatic field influence on the combustion rate is process changes in the condensed phase.

Getting Shocks: Teaching Secondary School Physics through History.

ERIC Educational Resources Information Center

Heering, Peter

2000-01-01

Uses several replicas of experimental set-ups that were originally used in electrostatic research in teaching electrostatics through history on secondary school level. Makes visible the change of the style of electrostatic experimentation that took place at the end of the 18th century. (Contains 25 references.) (ASK)

Electrostatic Field Invisibility Cloak

NASA Astrophysics Data System (ADS)

Lan, Chuwen; Yang, Yuping; Geng, Zhaoxin; Li, Bo; Zhou, Ji

2015-11-01

The invisibility cloak has been drawing much attention due to its new concept for manipulating many physical fields, from oscillating wave fields (electromagnetic, acoustic and elastic) to static magnetic fields, dc electric fields, and diffusive fields. Here, an electrostatic field invisibility cloak has been theoretically investigated and experimentally demonstrated to perfectly hide two dimensional objects without disturbing their external electrostatic fields. The desired cloaking effect has been achieved via both cancelling technology and transformation optics (TO). This study demonstrates a novel way for manipulating electrostatic fields, which shows promise for a wide range of potential applications.

Don't kill canaries! Introducing a new test device to assess the electrostatic risk potential to photomasks

NASA Astrophysics Data System (ADS)

Sebald, Thomas

2008-10-01

Electrostatic protection is an issue for all masks, whether during mask production, shipping, storage, handling or inspection and exposure. Up to now, only manual electrostatic field measurements, or expensive and elaborate analyses with Canary reticles have given hints about the risks of pattern damage by ESD events. A new test device is being introduced, which consists of electrostatic field sensors, integrated INSIDE a closed fused quartz housing which has the outside dimensions of a 6 inch mask. This device can be handled and used like a normal 6 inch reticle. It can be handled and processed while recording the electrostatic charges on the chrome patterns created by friction or field induction just as a reticle would "see" during normal processing.

Research and Development of Electrostatic Accelerometers for Space Science Missions at HUST.

PubMed

Bai, Yanzheng; Li, Zhuxi; Hu, Ming; Liu, Li; Qu, Shaobo; Tan, Dingyin; Tu, Haibo; Wu, Shuchao; Yin, Hang; Li, Hongyin; Zhou, Zebing

2017-08-23

High-precision electrostatic accelerometers have achieved remarkable success in satellite Earth gravity field recovery missions. Ultralow-noise inertial sensors play important roles in space gravitational wave detection missions such as the Laser Interferometer Space Antenna (LISA) mission, and key technologies have been verified in the LISA Pathfinder mission. Meanwhile, at Huazhong University of Science and Technology (HUST, China), a space accelerometer and inertial sensor based on capacitive sensors and the electrostatic control technique have also been studied and developed independently for more than 16 years. In this paper, we review the operational principle, application, and requirements of the electrostatic accelerometer and inertial sensor in different space missions. The development and progress of a space electrostatic accelerometer at HUST, including ground investigation and space verification are presented.

Computational Methods for Biomolecular Electrostatics

PubMed Central

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

Research and Development of Electrostatic Accelerometers for Space Science Missions at HUST

PubMed Central

Bai, Yanzheng; Li, Zhuxi; Hu, Ming; Liu, Li; Qu, Shaobo; Tan, Dingyin; Tu, Haibo; Wu, Shuchao; Yin, Hang; Li, Hongyin; Zhou, Zebing

2017-01-01

High-precision electrostatic accelerometers have achieved remarkable success in satellite Earth gravity field recovery missions. Ultralow-noise inertial sensors play important roles in space gravitational wave detection missions such as the Laser Interferometer Space Antenna (LISA) mission, and key technologies have been verified in the LISA Pathfinder mission. Meanwhile, at Huazhong University of Science and Technology (HUST, China), a space accelerometer and inertial sensor based on capacitive sensors and the electrostatic control technique have also been studied and developed independently for more than 16 years. In this paper, we review the operational principle, application, and requirements of the electrostatic accelerometer and inertial sensor in different space missions. The development and progress of a space electrostatic accelerometer at HUST, including ground investigation and space verification are presented. PMID:28832538

Electrostatic contribution to twist rigidity of DNA.

PubMed

Mohammad-Rafiee, Farshid; Golestanian, Ramin

2004-06-01

The electrostatic contribution to the twist rigidity of DNA is studied, and it is shown that the Coulomb self-energy of the double-helical sugar-phosphate backbone makes a considerable contribution-the electrostatic twist rigidity of DNA is found to be C(elec) approximately 5 nm, which makes up about 7% of its total twist rigidity ( C(DNA) approximately 75 nm). The electrostatic twist rigidity is found, however, to depend only weakly on the salt concentration, because of a competition between two different screening mechanisms: (1) Debye screening by the salt ions in the bulk, and (2) structural screening by the periodic charge distribution along the backbone of the helical polyelectrolyte. It is found that, depending on the parameters, the electrostatic contribution to the twist rigidity could stabilize or destabilize the structure of a helical polyelectrolyte.

Testing electrostatic equilibrium in the ionosphere by detailed comparison of ground magnetic deflection and incoherent scatter radar.

NASA Astrophysics Data System (ADS)

Cosgrove, R. B.; Schultz, A.; Imamura, N.

2016-12-01

Although electrostatic equilibrium is always assumed in the ionosphere, there is no good theoretical or experimental justification for the assumption. In fact, recent theoretical investigations suggest that the electrostatic assumption may be grossly in error. If true, many commonly used modeling methods are placed in doubt. For example, the accepted method for calculating ionospheric conductance??field line integration??may be invalid. In this talk we briefly outline the theoretical research that places the electrostatic assumption in doubt, and then describe how comparison of ground magnetic field data with incoherent scatter radar (ISR) data can be used to test the electrostatic assumption in the ionosphere. We describe a recent experiment conducted for the purpose, where an array of magnetometers was temporalily installed under the Poker Flat AMISR.

Explosion safety in industrial electrostatics

NASA Astrophysics Data System (ADS)

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.

Role of non-native electrostatic interactions in the coupled folding and binding of PUMA with Mcl-1

PubMed Central

Chu, Wen-Ting; Clarke, Jane; Shammas, Sarah L.; Wang, Jin

2017-01-01

PUMA, which belongs to the BH3-only protein family, is an intrinsically disordered protein (IDP). It binds to its cellular partner Mcl-1 through its BH3 motif, which folds upon binding into an α helix. We have applied a structure-based coarse-grained model, with an explicit Debye—Hückel charge model, to probe the importance of electrostatic interactions both in the early and the later stages of this model coupled folding and binding process. This model was carefully calibrated with the experimental data on helical content and affinity, and shown to be consistent with previously published experimental data on binding rate changes with respect to ionic strength. We find that intramolecular electrostatic interactions influence the unbound states of PUMA only marginally. Our results further suggest that intermolecular electrostatic interactions, and in particular non-native electrostatic interactions, are involved in formation of the initial encounter complex. We are able to reveal the binding mechanism in more detail than is possible using experimental data alone however, and in particular we uncover the role of non-native electrostatic interactions. We highlight the potential importance of such electrostatic interactions for describing the binding reactions of IDPs. Such approaches could be used to provide predictions for the results of mutational studies. PMID:28369057

Study of a condition for the mode conversion from purely perpendicular electrostatic waves to electromagnetic waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalaee, Mohammad Javad, E-mail: mjkalaee@ut.ac.ir; Katoh, Yuto, E-mail: yuto@stpp.gp.tohoku.ac.jp

One of the mechanisms for generating electromagnetic plasma waves (Z-mode and LO-mode) is mode conversion from electrostatic waves into electromagnetic waves in inhomogeneous plasma. Herein, we study a condition required for mode conversion of electrostatic waves propagating purely perpendicular to the ambient magnetic field, by numerically solving the full dispersion relation. An approximate model is derived describing the coupling between electrostatic waves (hot plasma Bernstein mode) and Z-mode waves at the upper hybrid frequency. The model is used to study conditions required for mode conversion from electrostatic waves (electrostatic electron cyclotron harmonic waves, including Bernstein mode) into electromagnetic plasma wavesmore » (LO-mode). It is shown that for mode conversion to occur in inhomogeneous plasma, the angle between the boundary surface and the magnetic field vector should be within a specific range. The range of the angle depends on the norm of the k vector of waves at the site of mode conversion in the inhomogeneous region. The present study reveals that inhomogeneity alone is not a sufficient condition for mode conversion from electrostatic waves to electromagnetic plasma waves and that the angle between the magnetic field and the density gradient plays an important role in the conversion process.« less

Diminish electrostatic in piezoresponse force microscopy through longer or ultra-stiff tips

NASA Astrophysics Data System (ADS)

Gomez, A.; Puig, T.; Obradors, X.

2018-05-01

Piezoresponse Force Microscopy is a powerful but delicate nanoscale technique that measures the electromechanical response resulting from the application of a highly localized electric field. Though mechanical response is normally due to piezoelectricity, other physical phenomena, especially electrostatic interaction, can contribute to the signal read. We address this problematic through the use of longer ultra-stiff probes providing state of the art sensitivity, with the lowest electrostatic interaction and avoiding working in high frequency regime. In order to find this solution we develop a theoretical description addressing the effects of electrostatic contributions in the total cantilever vibration and its quantification for different setups. The theory is subsequently tested in a Periodically Poled Lithium Niobate (PPLN) crystal, a sample with well-defined 0° and 180° domains, using different commercial available conductive tips. We employ the theoretical description to compare the electrostatic contribution effects into the total phase recorded. Through experimental data our description is corroborated for each of the tested commercially available probes. We propose that a larger probe length can be a solution to avoid electrostatic forces, so the cantilever-sample electrostatic interaction is reduced. Our proposed solution has great implications into avoiding artifacts while studying soft biological samples, multiferroic oxides, and thin film ferroelectric materials.

Probing lipid membrane electrostatics

NASA Astrophysics Data System (ADS)

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 <2%. One important application of this technique is to estimate the dipole density of lipid membrane. Electrostatic analysis of DOPC lipid bilayers with the AFM reveals a repulsive force between the negatively charged probe tips and the zwitterionic lipid bilayers. This unexpected interaction has been analyzed quantitatively to reveal that the repulsion is due to a weak 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 probe of membrane electrostatics.

On-Orbit 3-Dimensional Electrostatic Detumble for Generic Spacecraft Geometries

NASA Astrophysics Data System (ADS)

Bennett, Trevor J.

In recent years, there is a growing interest in active debris removal and on-orbit servicing of Earth orbiting assets. The growing need for such approaches is often exemplified by the Iridium-Kosmos collision in 2009 that generated thousands of debris fragments. There exists a variety of active debris removal and on-orbit servicing technologies in development. Conventional docking mechanisms and mechanical capture by actuated manipulators, exemplified by NASA's Restore-L mission, require slow target tumble rates or more aggressive circumnavigation rate matching. The tumble rate limitations can be overcome with flexible capture systems such nets, harpoons, or tethers yet these systems require complex deployment, towing, and/or interfacing strategies to avoid servicer and target damage. Alternatively, touchless methods overcome the tumble rate limitations by provide detumble control prior to a mechanical interface. This thesis explores electrostatic detumble technology to touchlessly reduce large target rotation rates of Geostationary satellites and debris. The technical challenges preceding flight implementation largely reside in the long-duration formation flying guidance, navigation, and control of a servicer spacecraft equipped with electrostatic charge transfer capability. Leveraging prior research into the electrostatic charging of spacecraft, electrostatic detumble control formulations are developed for both axisymmetric and generic target geometries. A novel relative position vector and associated relative orbit control approach is created to manage the long-duration proximity operations. Through detailed numerical simulations, the proposed detumble and relative motion control formulations demonstrate detumble of several thousand kilogram spacecraft tumbling at several degrees per second in only several days. The availability, either through modeling or sensing, of the relative attitude, relative position, and electrostatic potential are among key concerns with implementation of electrostatic detumble control on-orbit. Leveraging an extended Kalman filter scheme, the relative position information is readily obtained. In order to touchlessly acquire the target electrostatic potential, a nested two-time scale Kalman filter is employed to provide real-time estimates of both relative position and electrostatic potential while on-orbit. The culmination of the presented control formulations for generic spacecraft geometries, the proximity and formation flying control capability, and the availability of necessary state information provide significant contributions towards the viability of electrostatic detumble mission concepts.

Electrostatic Similarity Analysis of Human β-Defensin Binding in the Melanocortin System

PubMed Central

Nix, Matthew A.; Kaelin, Christopher B.; Palomino, Rafael; Miller, Jillian L.; Barsh, Gregory S.; Millhauser, Glenn L.

2015-01-01

Summary The β-defensins are a class of small cationic proteins that serve as components of numerous systems in vertebrate biology, including the immune and melanocortin systems. Human β-defensin 3 (HBD3), which is produced in the skin, has been found to bind to melanocortin receptors 1 and 4 through complementary electrostatics, a unique mechanism of ligand-receptor interaction. This finding indicates that electrostatics alone, and not specific amino acid contact points, could be sufficient for function in this ligand-receptor system, and further suggests that other small peptide ligands could interact with these receptors in a similar fashion. Here, we conducted molecular-similarity analyses and functional studies of additional members of the human β-defensin family, examining their potential as ligands of melanocortin-1 receptor, through selection based on their electrostatic similarity to HBD3. Using Poisson-Boltzmann electrostatic calculations and molecular-similarity analysis, we identified members of the human β-defensin family that are both similar and dissimilar to HBD3 in terms of electrostatic potential. Synthesis and functional testing of a subset of these β-defensins showed that peptides with an HBD3-like electrostatic character bound to melanocortin receptors with high affinity, whereas those that were anticorrelated to HBD3 showed no binding affinity. These findings expand on the central role of electrostatics in the control of this ligand-receptor system and further demonstrate the utility of employing molecular-similarity analysis. Additionally, we identified several new potential ligands of melanocortin-1 receptor, which may have implications for our understanding of the role defensins play in melanocortin physiology. PMID:26536271

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

PubMed

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.

Electrostatic Rate Enhancement and Transient Complex of Protein-Protein Association

PubMed Central

Alsallaq, Ramzi; Zhou, Huan-Xiang

2012-01-01

The association of two proteins is bounded by the rate at which they, via diffusion, find each other while in appropriate relative orientations. Orientational constraints restrict this rate to ~105 – 106 M−1s−1. Proteins with higher association rates generally have complementary electrostatic surfaces; proteins with lower association rates generally are slowed down by conformational changes upon complex formation. Previous studies (Zhou, Biophys. J. 1997;73:2441–2445) have shown that electrostatic enhancement of the diffusion-limited association rate can be accurately modeled by kD = kD0 exp(−*/ kBT), where kD and kD0 are the rates in the presence and absence of electrostatic interactions, respectively, * is the average electrostatic interaction energy in a “transient-complex” ensemble, and kBT is thermal energy. The transient-complex ensemble separates the bound state from the unbound state. Predictions of the transient-complex theory on four protein complexes were found to agree well with experiment when the electrostatic interaction energy was calculated with the linearized Poisson-Boltzmann (PB) equation (Alsallaq and Zhou, Structure 2007, 15:215–224). Here we show that the agreement is further improved when the nonlinear PB equation is used. These predictions are obtained with the dielectric boundary defined as the protein van der Waals surface. When the dielectric boundary is instead specified as the molecular surface, electrostatic interactions in the transient complex become repulsive and are thus predicted to retard association. Together these results demonstrate that the transient-complex theory is predictive of electrostatic rate enhancement and can help parameterize PB calculations. PMID:17932929

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

NASA Astrophysics Data System (ADS)

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.

In Situ Test Method for the Electrostatic Characterization of Lunar Dust

NASA Technical Reports Server (NTRS)

Buhler, C. R.; Calle, Carlos I.; CLements, S. J.; Mantovani, J.; Ritz, M. I.

2007-01-01

This paper serves to illustrate the testing methods necessary to classify the electrostatic properties of lunar dust using in situ instrumentation and the required techniques therein. A review of electrostatic classification of lunar simulant materials is provided as is its relevance to the success of future human lunar missions.

Aerial electrostatic-charged spray for deposition and efficacy against sweetpotato whitefly (Bemisia tabaci) on cotton

USDA-ARS?s Scientific Manuscript database

Efficacy of aerial electrostatic-charged sprays was evaluated for spray deposit characteristics and season-long control of sweet potato whitefly (SWF), Bemisia tabaci biotype B (a.k.a. B. argentifolii), in an irrigated 24-ha cotton field. Treatments included electrostatic-charged sprays at full and ...

Helping Lower Secondary Students Develop Conceptual Understanding of Electrostatic Forces

ERIC Educational Resources Information Center

Moynihan, Richard; van Kampen, Paul; Finlayson, Odilla; McLoughlin, Eilish

2016-01-01

This article describes the development of a lesson sequence that supports secondary-level students to construct an explanatory model for electrostatic attraction using a guided enquiry method. The students examine electrostatic interactions at a macro level and explain the phenomena at the atomic level. Pre-tests, post-tests, homework assignments…

Evaluation of a combined electrostatic and magnetostatic configuration for active space-radiation shielding

NASA Astrophysics Data System (ADS)

Joshi, Ravindra P.; Qiu, Hao; Tripathi, Ram K.

2013-05-01

Developing successful and optimal solutions to mitigating the hazards of severe space radiation in deep space long duration missions is critical for the success of deep-space explorations. A recent report (Tripathi et al., 2008) had explored the feasibility of using electrostatic shielding. Here, we continue to extend the electrostatic shielding strategy and examine a hybrid configuration that utilizes both electrostatic and magnetostatic fields. The main advantages of this system are shown to be: (i) a much better shielding and repulsion of incident ions from both solar particle events (SPE) and galactic cosmic rays (GCR), (ii) reductions in the power requirement for re-charging the electrostatic sub-system, and (iii) low requirements of the magnetic fields that are well below the thresholds set for health and safety for long-term exposures. Furthermore, our results show transmission levels reduced to levels as low as 30% for energies around 1000 MeV, and near total elimination of SPE radiation by these hybrid configurations. It is also shown that the power needed to replenish the electrostatic charges due to particle hits from the GCR and SPE radiation is minimal.

Material identification based on electrostatic sensing technology

NASA Astrophysics Data System (ADS)

Liu, Kai; Chen, Xi; Li, Jingnan

2018-04-01

When the robot travels on the surface of different media, the uncertainty of the medium will seriously affect the autonomous action of the robot. In this paper, the distribution characteristics of multiple electrostatic charges on the surface of materials are detected, so as to improve the accuracy of the existing electrostatic signal material identification methods, which is of great significance to help the robot optimize the control algorithm. In this paper, based on the electrostatic signal material identification method proposed by predecessors, the multi-channel detection circuit is used to obtain the electrostatic charge distribution at different positions of the material surface, the weights are introduced into the eigenvalue matrix, and the weight distribution is optimized by the evolutionary algorithm, which makes the eigenvalue matrix more accurately reflect the surface charge distribution characteristics of the material. The matrix is used as the input of the k-Nearest Neighbor (kNN)classification algorithm to classify the dielectric materials. The experimental results show that the proposed method can significantly improve the recognition rate of the existing electrostatic signal material recognition methods.

Imaging latex–carbon nanotube composites by subsurface electrostatic force microscopy

DOE PAGES

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

2016-09-08

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.more » 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.« less

Electrostatic atomization--Experiment, theory and industrial applications

NASA Astrophysics Data System (ADS)

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.

Electrostatic effects in the collapse transition of phospholiquid monolayer

NASA Astrophysics Data System (ADS)

Nguyen, Toan T.; Gopal, Ajaykumar; Lee, Ka Yee C.; Witten, Thomas A.

2004-03-01

We study the collapse transition of fluidic phospholipid surfactant monolayers under lateral compression. DMPC, DPPC or POPG surfactants and their binary mixtures are used. Various collapsed structures (circular discs, cylinderical tubes and pearls-on-a-string) were observed during the transition. We show that electrostatics plays an important role in the formation of these structures. By changing the composition of charged surfactant (POGP) or the screening condition of the solution, one can change the dominant collapsed structure from discs to tubes to pearls in the order of increasing the strength of electrostatic interactions, in accordance with theoretical estimates. We also study a complimentary electrostatic effect due charge relaxation in the transitions between these structures. It is shown that free energy gained from relaxations of charge molecule is small and can be neglected when considering electrostatics of these systems.

Electrostatic Solvation Free Energy of Amino Acid Side Chain Analogs: Implications for the Validity of Electrostatic Linear Response in Water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Bin; Pettitt, Bernard M.

Electrostatic free energies of solvation for 15 neutral amino acid side chain analogs are computed. We compare three methods of varying computational complexity and accuracy for three force fields: free energy simulations, Poisson-Boltzmann (PB), and linear response approximation (LRA) using AMBER, CHARMM, and OPLSAA force fields. We find that deviations from simulation start at low charges for solutes. The approximate PB and LRA produce an overestimation of electrostatic solvation free energies for most of molecules studied here. These deviations are remarkably systematic. The variations among force fields are almost as large as the variations found among methods. Our study confirmsmore » that success of the approximate methods for electrostatic solvation free energies comes from their ability to evaluate free energy differences accurately.« less

Thorium Fuel Cycle Option Screening in the United States

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taiwo, Temitope A.; Kim, Taek K.; Wigeland, Roald A.

2016-05-01

As part of a nuclear fuel cycle Evaluation and Screening (E&S) study, a wide-range of thorium fuel cycle options were evaluated and their performance characteristics and challenges to implementation were compared to those of other nuclear fuel cycle options based on criteria specified by the Nuclear Energy Office of the U.S. Department of Energy (DOE). The evaluated nuclear fuel cycles included the once-through, limited, and continuous recycle options using critical or externally-driven nuclear energy systems. The E&S study found that the continuous recycle of 233U/Th in fuel cycles using either thermal or fast reactors is an attractive promising fuel cyclemore » option with high effective fuel resource utilization and low waste generation, but did not perform quite as well as the continuous recycle of Pu/U using a fast critical system, which was identified as one of the most promising fuel cycle options in the E&S study. This is because compared to their uranium counterparts the thorium-based systems tended to have higher radioactivity in the short term (about 100 years post irradiation) because of differences in the fission product yield curves, and in the long term (100,000 years post irradiation) because of the decay of 233U and daughters, and because of higher mass flow rates due to lower discharge burnups. Some of the thorium-based systems also require enriched uranium support, which tends to be detrimental to resource utilization and waste generation metrics. Finally, similar to the need for developing recycle fuel fabrication, fuels separations and fast reactors for the most promising options using Pu/U recycle, the future thorium-based fuel cycle options with continuous recycle would also require such capabilities, although their deployment challenges are expected to be higher since such facilities have not been developed in the past to a comparable level of maturity for Th-based systems.« less

Effects of the dielectric properties of the ceramic-solvent interface on the binding of proteins to oxide ceramics: a non-local electrostatic approach.

PubMed

Rubinstein, Alexander I; Sabirianov, Renat F; Namavar, Fereydoon

2016-10-14

The rapid development of nanoscience and nanotechnology has raised many fundamental questions that significantly impede progress in these fields. In particular, understanding the physicochemical processes at the interface in aqueous solvents requires the development and application of efficient and accurate methods. In the present work we evaluate the electrostatic contribution to the energy of model protein-ceramic complex formation in an aqueous solvent. We apply a non-local (NL) electrostatic approach that accounts for the effects of the short-range structure of the solvent on the electrostatic interactions of the interfacial systems. In this approach the aqueous solvent is considered as a non-ionic liquid, with the rigid and strongly correlated dipoles of the water molecules. We have found that an ordered interfacial aqueous solvent layer at the protein- and ceramic-solvent interfaces reduces the charging energy of both the ceramic and the protein in the solvent, and significantly increases the electrostatic contribution to their association into a complex. This contribution in the presented NL approach was found to be significantly shifted with respect to the classical model at any dielectric constant value of the ceramics. This implies a significant increase of the adsorption energy in the protein-ceramic complex formation for any ceramic material. We show that for several biocompatible ceramics (for example HfO2, ZrO2, and Ta2O5) the above effect predicts electrostatically induced protein-ceramic complex formation. However, in the framework of the classical continuum electrostatic model (the aqueous solvent as a uniform dielectric medium with a high dielectric constant ∼80) the above ceramics cannot be considered as suitable for electrostatically induced complex formation. Our results also show that the protein-ceramic electrostatic interactions can be strong enough to compensate for the unfavorable desolvation effect in the process of protein-ceramic complex formation.

Effects of the dielectric properties of the ceramic-solvent interface on the binding of proteins to oxide ceramics: a non-local electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, Alexander I.; Sabirianov, Renat F.; Namavar, Fereydoon

2016-10-01

The rapid development of nanoscience and nanotechnology has raised many fundamental questions that significantly impede progress in these fields. In particular, understanding the physicochemical processes at the interface in aqueous solvents requires the development and application of efficient and accurate methods. In the present work we evaluate the electrostatic contribution to the energy of model protein-ceramic complex formation in an aqueous solvent. We apply a non-local (NL) electrostatic approach that accounts for the effects of the short-range structure of the solvent on the electrostatic interactions of the interfacial systems. In this approach the aqueous solvent is considered as a non-ionic liquid, with the rigid and strongly correlated dipoles of the water molecules. We have found that an ordered interfacial aqueous solvent layer at the protein- and ceramic-solvent interfaces reduces the charging energy of both the ceramic and the protein in the solvent, and significantly increases the electrostatic contribution to their association into a complex. This contribution in the presented NL approach was found to be significantly shifted with respect to the classical model at any dielectric constant value of the ceramics. This implies a significant increase of the adsorption energy in the protein-ceramic complex formation for any ceramic material. We show that for several biocompatible ceramics (for example HfO2, ZrO2, and Ta2O5) the above effect predicts electrostatically induced protein-ceramic complex formation. However, in the framework of the classical continuum electrostatic model (the aqueous solvent as a uniform dielectric medium with a high dielectric constant ˜80) the above ceramics cannot be considered as suitable for electrostatically induced complex formation. Our results also show that the protein-ceramic electrostatic interactions can be strong enough to compensate for the unfavorable desolvation effect in the process of protein-ceramic complex formation.

Polarizable polymer chain under external electric field: Effects of many-body electrostatic dipole correlations.

PubMed

Budkov, Yu A; Kolesnikov, A L

2016-11-01

We present a new simple self-consistent field theory of a polarizable flexible polymer chain under an external constant electric field with account for the many-body electrostatic dipole correlations. We show the effects of electrostatic dipole correlations on the electric-field-induced globule-coil transition. We demonstrate that only when the polymer chain is in the coil conformation, the electrostatic dipole correlations of monomers can be considered as pairwise. However, when the polymer chain is in a collapsed state, the dipole correlations have to be considered at the many-body level.

Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 5,7-dinitro-5,7-diaza-1,3-dioxabicyclo (3:3:0)octan-2-one

DTIC Science & Technology

2016-04-01

dioxabicyclo(3:3:0)octan-2-one molecule .............................................1 Fig. 2 Electrostatic potential map of 5,7-dinitro-5,7-diaza-1,3...the impact sensitivities, the electrostatic maps on the 0.001 isosurfaces were generated with the scalar range of the electrostatic surface potential... Electrostatic potential map of 5,7-dinitro-5,7-diaza-1,3-dioxabicyclo(3:3:0)octan-2- one, a) with and b-c) without molecule overlay. Image c) shows the opposite

Electrostatic and structural similarity of classical and non-classical lactam compounds

NASA Astrophysics Data System (ADS)

Coll, Miguel; Frau, Juan; Vilanova, Bartolomé; Donoso, Josefa; Muñoz, Francisco

2001-09-01

Various electrostatic and structural parameters for a series of classical and non-classical β-lactams were determined and compared in order to ascertain whether some specific β-lactams possess antibacterial or β-lactamase inhibitory properties. The electrostatic parameters obtained, based on the Distributed Multipole Analysis (DMA) of high-quality wavefunctions for the studied structures, suggest that some non-classical β-lactams effectively inhibit the action of β-lactamases. As shown in this work, such electrostatic parameters provide much more reliable information about the antibacterial and inhibitory properties of β-lactams than do structural parameters.

On the Impact of Electrostatic Correlations on the Double-Layer Polarization of a Spherical Particle in an Alternating Current Field.

PubMed

Alidoosti, Elaheh; Zhao, Hui

2018-05-15

At concentrated electrolytes, the ion-ion electrostatic correlation effect is considered an important factor in electrokinetics. In this paper, we compute, in theory and simulation, the dipole moment for a spherical particle (charged, dielectric) under the action of an alternating electric field using the modified continuum Poisson-Nernst-Planck (PNP) model by Bazant et al. [ Double Layer in Ionic Liquids: Overscreening Versus Crowding . Phys. Rev. Lett. 2011 , 106 , 046102 ] We investigate the dependency of the dipole moment in terms of frequency and its variation with such quantities like ζ-potential, electrostatic correlation length, and double-layer thickness. With thin electric double layers, we develop simple models through performing an asymptotic analysis of the modified PNP model. We also present numerical results for an arbitrary Debye screening length and electrostatic correlation length. From the results, we find a complicated impact of electrostatic correlations on the dipole moment. For instance, with increasing the electrostatic correlation length, the dipole moment decreases and reaches a minimum and then it goes up. This is because of initially decreasing of surface conduction and finally increasing due to the impact of ion-ion electrostatic correlations on ion's convection and migration. Also, we show that in contrast to the standard PNP model, the modified PNP model can qualitatively explain the data from the experimental results in multivalent electrolytes.

Electrostatic steering and ionic tethering in enzyme-ligand binding: insights from simulations.

PubMed

Wade, R C; Gabdoulline, R R; Lüdemann, S K; Lounnas, V

1998-05-26

To bind at an enzyme's active site, a ligand must diffuse or be transported to the enzyme's surface, and, if the binding site is buried, the ligand must diffuse through the protein to reach it. Although the driving force for ligand binding is often ascribed to the hydrophobic effect, electrostatic interactions also influence the binding process of both charged and nonpolar ligands. First, electrostatic steering of charged substrates into enzyme active sites is discussed. This is of particular relevance for diffusion-influenced enzymes. By comparing the results of Brownian dynamics simulations and electrostatic potential similarity analysis for triose-phosphate isomerases, superoxide dismutases, and beta-lactamases from different species, we identify the conserved features responsible for the electrostatic substrate-steering fields. The conserved potentials are localized at the active sites and are the primary determinants of the bimolecular association rates. Then we focus on a more subtle effect, which we will refer to as "ionic tethering." We explore, by means of molecular and Brownian dynamics simulations and electrostatic continuum calculations, how salt links can act as tethers between structural elements of an enzyme that undergo conformational change upon substrate binding, and thereby regulate or modulate substrate binding. This is illustrated for the lipase and cytochrome P450 enzymes. Ionic tethering can provide a control mechanism for substrate binding that is sensitive to the electrostatic properties of the enzyme's surroundings even when the substrate is nonpolar.

On the orientation of the backbone dipoles in native folds

PubMed Central

Ripoll, Daniel R.; Vila, Jorge A.; Scheraga, Harold A.

2005-01-01

The role of electrostatic interactions in determining the native fold of proteins has been investigated by analyzing the alignment of peptide bond dipole moments with the local electrostatic field generated by the rest of the molecule with and without solvent effects. This alignment was calculated for a set of 112 native proteins by using charges from a gas phase potential. Most of the peptide dipoles in this set of proteins are on average aligned with the electrostatic field. The dipole moments associated with α-helical conformations show the best alignment with the electrostatic field, followed by residues in β-strand conformations. The dipole moments associated with other secondary structure elements are on average better aligned than in randomly generated conformations. The alignment of a dipole with the local electrostatic field depends on both the topology of the native fold and the charge distribution assumed for all of the residues. The influences of (i) solvent effects, (ii) different sets of charges, and (iii) the charge distribution assumed for the whole molecule were examined with a subset of 22 proteins each of which contains <30 ionizable groups. The results show that alternative charge distribution models lead to significant differences among the associated electrostatic fields, whereas the electrostatic field is less sensitive to the particular set of the adopted charges themselves (empirical conformational energy program for peptides or parameters for solvation energy). PMID:15894608

Electrostatic Properties of PE and PTFE Subjected to Atmospheric Pressure Plasma Treatment; Correlation of Experimental Results with Atomistic Modeling

NASA Technical Reports Server (NTRS)

Trigwell, Steve; Boucher, Derrick; Calle, Carlos

2006-01-01

The use of an atmospheric pressure glow discharge (APGD) plasma was used at KSC to increase the hydrophilicity of spaceport materials to enhance their surface charge dissipation and prevent possible ESD in spaceport operations. Significant decreases in charge decay times were observed after tribocharging the materials using the standard KSC tribocharging test. The polarity and amount of charge transferred was dependent upon the effective work function differences between the respective materials. In this study, polyethylene (PE) and polytetrafluoroethylene (PTFE) were exposed to a He+O2 APGD. The pre and post treatment surface chemistry was analyzed by X-ray photoelectron spectroscopy and contact angle measurements. Semi-empirical and ab initio calculations were performed to correlate the experimental results with some plausible molecular and electronic structure features of the oxidation process. For the PE, significant surface oxidation was observed, as indicated by XPS showing C-O, C=O, and O-C=O bonding, and a decrease in the surface contact angle from 98.9 deg to 61.2 deg. For the PTFE, no C-O bonding appeared and the surface contact angle increased indicating the APGD only succeeded in cleaning the PTFE surface without affecting the surface structure. The calculations using the PM3 and DFT methods were performed on single and multiple oligomers to simulate a wide variety of oxidation scenarios. Calculated work function results suggest that regardless of oxidation mechanism, e.g. -OH, =0 or a combination thereof, the experimentally observed levels of surface oxidation are unlikely to lead to a significant change in the electronic structure of PE and that its increased hydrophilic properties are the primary reason for the observed changes in its electrostatic behavior. The calculations for PTFE argue strongly against significant oxidation of that material, as confirmed by the XPS results.

Remote Spacecraft Attitude Control by Coulomb Charging

NASA Astrophysics Data System (ADS)

Stevenson, Daan

The possibility of inter-spacecraft collisions is a serious concern at Geosynchronous altitudes, where many high-value assets operate in proximity to countless debris objects whose orbits experience no natural means of decay. The ability to rendezvous with these derelict satellites would enable active debris removal by servicing or repositioning missions, but docking procedures are generally inhibited by the large rotational momenta of uncontrolled satellites. Therefore, a contactless means of reducing the rotation rate of objects in the space environment is desired. This dissertation investigates the viability of Coulomb charging to achieve such remote spacecraft attitude control. If a servicing craft imposes absolute electric potentials on a nearby nonspherical debris object, it will impart electrostatic torques that can be used to gradually arrest the object's rotation. In order to simulate the relative motion of charged spacecraft with complex geometries, accurate but rapid knowledge of the Coulomb interactions is required. To this end, a new electrostatic force model called the Multi-Sphere Method (MSM) is developed. All aspects of the Coulomb de-spin concept are extensively analyzed and simulated using a system with simplified geometries and one dimensional rotation. First, appropriate control algorithms are developed to ensure that the nonlinear Coulomb torques arrest the rotation with guaranteed stability. Moreover, the complex interaction of the spacecraft with the plasma environment and charge control beams is modeled to determine what hardware requirements are necessary to achieve the desired electric potential levels. Lastly, the attitude dynamics and feedback control development is validated experimentally using a scaled down terrestrial testbed. High voltage power supplies control the potential on two nearby conductors, a stationary sphere and a freely rotating cylinder. The nonlinear feedback control algorithms developed above are implemented to achieve rotation rate and absolute attitude control. Collectively, these studies decisively validate the feasibility of Coulomb charging for remote spacecraft attitude control.

Piezoelectric and Electrostatic Polymeric Transducers for Acoustic Emission Detection.

DTIC Science & Technology

1984-12-01

the fabrication of ultrasonic transducers for acoustic emission (A.E.) detection using polyvinylidene fluoride ( PVDF ) active elements. ii) the...characterization of PVDF transducers. The second report compared the sensitivity of PVDF transducers with polypropylene electrostatic transducer...detection using polyvinylidene 1uoride ( PVDF ) active elements. ii) the fabrication of electrostatic transducers using thin film of non-polar

Dielectric-Particle Injector For Processing Of Materials

NASA Technical Reports Server (NTRS)

Leung, Philip L.; Gabriel, Stephen B.

1992-01-01

Device generates electrically charged particles of solid, or droplets of liquid, fabricated from dielectric material and projects them electrostatically, possibly injecting them into electrostatic-levitation chamber for containerless processing. Dielectric-particle or -droplet injector charges dielectric particles or droplets on zinc plate with photo-electrons generated by ultraviolet illumination, then ejects charged particles or droplets electrostatically from plate.

A Bridge between Two Important Problems in Optics and Electrostatics

ERIC Educational Resources Information Center

Capelli, R.; Pozzi, G.

2008-01-01

It is shown how the same physically appealing method can be applied to find analytic solutions for two difficult and apparently unrelated problems in optics and electrostatics. They are: (i) the diffraction of a plane wave at a perfectly conducting thin half-plane and (ii) the electrostatic field associated with a parallel array of stripes held at…

Visualizing the Positive-Negative Interface of Molecular Electrostatic Potentials as an Educational Tool for Assigning Chemical Polarity

ERIC Educational Resources Information Center

Schonborn, Konrad; Host, Gunnar; Palmerius, Karljohan

2010-01-01

To help in interpreting the polarity of a molecule, charge separation can be visualized by mapping the electrostatic potential at the van der Waals surface using a color gradient or by indicating positive and negative regions of the electrostatic potential using different colored isosurfaces. Although these visualizations capture the molecular…

Comprehensive Modeling of Superficial Dust Removal via Electrostatic and Dielectrophoretic Forces in Extraterres-trial Exploration Mission

NASA Technical Reports Server (NTRS)

Dominguez, Jesus A.; Phillips, James R. III; Mackey, Paul J.; Hogue, Michael D.; Johansen, Michael R.; Cox, Rachel E.; Calle, Carlos I.

2017-01-01

The Electrostatics and Surface Physics Laboratory (ESPL) at NASA Kennedy Space Center has developed a dust mitigation technology that uses electrostatic and dielectrophoretic (DEP) forces to disperse and remove the dust already deposited on surfaces preventing the accumulation of dust particles approaching or already deposited on those surfaces.

Photopolymerization Of Levitated Droplets

NASA Technical Reports Server (NTRS)

Rembaum, Alan; Rhim, Won-Kyu; Hyson, Michael T.; Chang, Manchium

1989-01-01

Experimental containerless process combines two established techniques to make variety of polymeric microspheres. In single step, electrostatically-levitated monomer droplets polymerized by ultraviolet light. Faster than multiple-step emulsion polymerization process used to make microspheres. Droplets suspended in cylindrical quadrupole electrostatic levitator. Alternating electrostatic field produces dynamic potential along axis. Process enables tailoring of microspheres for medical, scientific, and industrial applications.

40 CFR 60.4855 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2011 CFR

2011-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, or activated carbon... I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic... emission limits? If you use an air pollution control device other than a wet scrubber, fabric filter...

40 CFR 60.4855 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2012 CFR

2012-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, or activated carbon... I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic... emission limits? If you use an air pollution control device other than a wet scrubber, fabric filter...

40 CFR 60.4855 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2014 CFR

2014-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, or activated carbon... I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic... emission limits? If you use an air pollution control device other than a wet scrubber, fabric filter...

40 CFR 60.4855 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2013 CFR

2013-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, or activated carbon... I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic... emission limits? If you use an air pollution control device other than a wet scrubber, fabric filter...

PREFACE: 7th International Conference on Applied Electrostatics (ICAES-2012)

NASA Astrophysics Data System (ADS)

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 Faculty of Engineering, McMaster University, Canada), Haitian Scholar of Dalian University of Technology (China), who passed away on 27 February 2011. Professor Chang was active in research fields including the applications of electrostatics, electromagnetic hydrodynamics, plasma environmental pollution control technologies, etc and he contributed much to the development of these fields. Professor Chang was the visiting professor at some Key Universities in China and was the friend of Chinese scholars engaged in electrostatics. Professor Chang was also active in joining and supporting the previous ICAES. We will cherish the memory of Professor Jen-Shih Chang forever. Professor Jie Li Proceedings Editor Dalian, September 2012 Conference photograph

Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.

PubMed

Liu, C Tony; Layfield, Joshua P; Stewart, Robert J; French, Jarrod B; Hanoian, Philip; Asbury, John B; Hammes-Schiffer, Sharon; Benkovic, Stephen J

2014-07-23

Electrostatic interactions play an important role in enzyme catalysis by guiding ligand binding and facilitating chemical reactions. These electrostatic interactions are modulated by conformational changes occurring over the catalytic cycle. Herein, the changes in active site electrostatic microenvironments are examined for all enzyme complexes along the catalytic cycle of Escherichia coli dihydrofolate reductase (ecDHFR) by incorporation of thiocyanate probes at two site-specific locations in the active site. The electrostatics and degree of hydration of the microenvironments surrounding the probes are investigated with spectroscopic techniques and mixed quantum mechanical/molecular mechanical (QM/MM) calculations. Changes in the electrostatic microenvironments along the catalytic environment lead to different nitrile (CN) vibrational stretching frequencies and (13)C NMR chemical shifts. These environmental changes arise from protein conformational rearrangements during catalysis. The QM/MM calculations reproduce the experimentally measured vibrational frequency shifts of the thiocyanate probes across the catalyzed hydride transfer step, which spans the closed and occluded conformations of the enzyme. Analysis of the molecular dynamics trajectories provides insight into the conformational changes occurring between these two states and the resulting changes in classical electrostatics and specific hydrogen-bonding interactions. The electric fields along the CN axes of the probes are decomposed into contributions from specific residues, ligands, and solvent molecules that make up the microenvironments around the probes. Moreover, calculation of the electric field along the hydride donor-acceptor axis, along with decomposition of this field into specific contributions, indicates that the cofactor and substrate, as well as the enzyme, impose a substantial electric field that facilitates hydride transfer. Overall, experimental and theoretical data provide evidence for significant electrostatic changes in the active site microenvironments due to conformational motion occurring over the catalytic cycle of ecDHFR.

Probing the Electrostatics of Active Site Microenvironments along the Catalytic Cycle for Escherichia coli Dihydrofolate Reductase

PubMed Central

2015-01-01

Electrostatic interactions play an important role in enzyme catalysis by guiding ligand binding and facilitating chemical reactions. These electrostatic interactions are modulated by conformational changes occurring over the catalytic cycle. Herein, the changes in active site electrostatic microenvironments are examined for all enzyme complexes along the catalytic cycle of Escherichia coli dihydrofolate reductase (ecDHFR) by incorporation of thiocyanate probes at two site-specific locations in the active site. The electrostatics and degree of hydration of the microenvironments surrounding the probes are investigated with spectroscopic techniques and mixed quantum mechanical/molecular mechanical (QM/MM) calculations. Changes in the electrostatic microenvironments along the catalytic environment lead to different nitrile (CN) vibrational stretching frequencies and 13C NMR chemical shifts. These environmental changes arise from protein conformational rearrangements during catalysis. The QM/MM calculations reproduce the experimentally measured vibrational frequency shifts of the thiocyanate probes across the catalyzed hydride transfer step, which spans the closed and occluded conformations of the enzyme. Analysis of the molecular dynamics trajectories provides insight into the conformational changes occurring between these two states and the resulting changes in classical electrostatics and specific hydrogen-bonding interactions. The electric fields along the CN axes of the probes are decomposed into contributions from specific residues, ligands, and solvent molecules that make up the microenvironments around the probes. Moreover, calculation of the electric field along the hydride donor–acceptor axis, along with decomposition of this field into specific contributions, indicates that the cofactor and substrate, as well as the enzyme, impose a substantial electric field that facilitates hydride transfer. Overall, experimental and theoretical data provide evidence for significant electrostatic changes in the active site microenvironments due to conformational motion occurring over the catalytic cycle of ecDHFR. PMID:24977791

Electrostatically Accelerated Encounter and Folding for Facile Recognition of Intrinsically Disordered Proteins

PubMed Central

Ganguly, Debabani; Zhang, Weihong; Chen, Jianhan

2013-01-01

Achieving facile specific recognition is essential for intrinsically disordered proteins (IDPs) that are involved in cellular signaling and regulation. Consideration of the physical time scales of protein folding and diffusion-limited protein-protein encounter has suggested that the frequent requirement of protein folding for specific IDP recognition could lead to kinetic bottlenecks. How IDPs overcome such potential kinetic bottlenecks to viably function in signaling and regulation in general is poorly understood. Our recent computational and experimental study of cell-cycle regulator p27 (Ganguly et al., J. Mol. Biol. (2012)) demonstrated that long-range electrostatic forces exerted on enriched charges of IDPs could accelerate protein-protein encounter via “electrostatic steering” and at the same time promote “folding-competent” encounter topologies to enhance the efficiency of IDP folding upon encounter. Here, we further investigated the coupled binding and folding mechanisms and the roles of electrostatic forces in the formation of three IDP complexes with more complex folded topologies. The surface electrostatic potentials of these complexes lack prominent features like those observed for the p27/Cdk2/cyclin A complex to directly suggest the ability of electrostatic forces to facilitate folding upon encounter. Nonetheless, similar electrostatically accelerated encounter and folding mechanisms were consistently predicted for all three complexes using topology-based coarse-grained simulations. Together with our previous analysis of charge distributions in known IDP complexes, our results support a prevalent role of electrostatic interactions in promoting efficient coupled binding and folding for facile specific recognition. These results also suggest that there is likely a co-evolution of IDP folded topology, charge characteristics, and coupled binding and folding mechanisms, driven at least partially by the need to achieve fast association kinetics for cellular signaling and regulation. PMID:24278008

Electrostatic rate enhancement and transient complex of protein-protein association.

PubMed

Alsallaq, Ramzi; Zhou, Huan-Xiang

2008-04-01

The association of two proteins is bounded by the rate at which they, via diffusion, find each other while in appropriate relative orientations. Orientational constraints restrict this rate to approximately 10(5)-10(6) M(-1) s(-1). Proteins with higher association rates generally have complementary electrostatic surfaces; proteins with lower association rates generally are slowed down by conformational changes upon complex formation. Previous studies (Zhou, Biophys J 1997;73:2441-2445) have shown that electrostatic enhancement of the diffusion-limited association rate can be accurately modeled by $k_{\\bf D}$ = $k_{D}0\\ {exp} ( - \\langle U_{el} \\rangle;{\\star}/k_{B} T),$ where k(D) and k(D0) are the rates in the presence and absence of electrostatic interactions, respectively, U(el) is the average electrostatic interaction energy in a "transient-complex" ensemble, and k(B)T is the thermal energy. The transient-complex ensemble separates the bound state from the unbound state. Predictions of the transient-complex theory on four protein complexes were found to agree well with the experiment when the electrostatic interaction energy was calculated with the linearized Poisson-Boltzmann (PB) equation (Alsallaq and Zhou, Structure 2007;15:215-224). Here we show that the agreement is further improved when the nonlinear PB equation is used. These predictions are obtained with the dielectric boundary defined as the protein van der Waals surface. When the dielectric boundary is instead specified as the molecular surface, electrostatic interactions in the transient complex become repulsive and are thus predicted to retard association. Together these results demonstrate that the transient-complex theory is predictive of electrostatic rate enhancement and can help parameterize PB calculations. (c) 2007 Wiley-Liss, Inc.

Electrostatic Interactions in the Binding Pathway of a Transient Protein Complex Studied by NMR and Isothermal Titration Calorimetry*

PubMed Central

Meneses, Erick; Mittermaier, Anthony

2014-01-01

Much of our knowledge of protein binding pathways is derived from extremely stable complexes that interact very tightly, with lifetimes of hours to days. Much less is known about weaker interactions and transient complexes because these are challenging to characterize experimentally. Nevertheless, these types of interactions are ubiquitous in living systems. The combination of NMR relaxation dispersion Carr–Purcell–Meiboom–Gill (CPMG) experiments and isothermal titration calorimetry allows the quantification of rapid binding kinetics for complexes with submillisecond lifetimes that are difficult to study using conventional techniques. We have used this approach to investigate the binding pathway of the Src homology 3 (SH3) domain from the Fyn tyrosine kinase, which forms complexes with peptide targets whose lifetimes are on the order of about a millisecond. Long range electrostatic interactions have been shown to play a critical role in the binding pathways of tightly binding complexes. The role of electrostatics in the binding pathways of transient complexes is less well understood. Similarly to previously studied tight complexes, we find that SH3 domain association rates are enhanced by long range electrostatics, whereas short range interactions are formed late in the docking process. However, the extent of electrostatic association rate enhancement is several orders of magnitudes less, whereas the electrostatic-free basal association rate is significantly greater. Thus, the SH3 domain is far less reliant on electrostatic enhancement to achieve rapid association kinetics than are previously studied systems. This suggests that there may be overall differences in the role played by electrostatics in the binding pathways of extremely stable versus transient complexes. PMID:25122758

Quantifying protein microstructure and electrostatic effects on the change in Gibbs free energy of binding in immobilized metal affinity chromatography.

PubMed

Pathange, Lakshmi P; Bevan, David R; Zhang, Chenming

2008-03-01

Electrostatic forces play a major role in maintaining both structural and functional properties of proteins. A major component of protein electrostatics is the interactions between the charged or titratable amino acid residues (e.g., Glu, Lys, and His), whose pK(a) (or the change of the pK(a)) value could be used to study protein electrostatics. Here, we report the study of electrostatic forces through experiments using a well-controlled model protein (T4 lysozyme) and its variants. We generated 10 T4 lysozyme variants, in which the electrostatic environment of the histidine residue was perturbed by altering charged and neutral amino acid residues at various distances from the histidine (probe) residue. The electrostatic perturbations were theoretically quantified by calculating the change in free energy (DeltaDeltaG(E)) using Coulomb's law. On the other hand, immobilized metal affinity chromatography (IMAC) was used to quantify these perturbations in terms of protein binding strength or change in free energy of binding (DeltaDeltaG(B)), which varies from -0.53 to 0.99 kcal/mol. For most of the variants, there is a good correlation (R(2) = 0.97) between the theoretical DeltaDeltaG(E) and experimental DeltaDeltaG(B) values. However, there are three deviant variants, whose histidine residue was found to be involved in site-specific interactions (e.g., ion pair and steric hindrance), which were further investigated by molecular dynamics simulation. This report demonstrates that the electrostatic (DeltaDeltaG(Elec)) and microstructural effects (DeltaDeltaG(Micro)) in a protein can be quantified by IMAC through surface histidine mediated protein-metal ion interaction and that the unique microstructure around a histidine residue can be identified by identifying the abnormal binding behaviors during IMAC.

Microfluidic pressure amplifier circuits and electrostatic gates for pneumatic microsystems

DOEpatents

Tice, Joshua D.; Bassett, Thomas A.; Desai, Amit V.; Apblett, Christopher A.; Kenis, Paul J. A.

2016-09-20

An electrostatic actuator is provide that can include a fluidic line, a first electrode, and a second electrode such that a gate chamber portion of the fluidic line is sandwiched between the first electrode and the second electrode. The electrostatic actuator can also include a pressure-balancing channel in fluid communication with the gate chamber portion where the first electrode is sandwiched between the pressure-balancing channel and the gate chamber portion. A pneumatic valve system is provided which includes an electrostatic gate and a fluidic channel fluidly separate from a fluidic control line. A pneumatic valve portion of the fluidic control line can be positioned relative to a portion of the fluidic channel such that expansion of the pneumatic valve portion restricts fluid flow through the fluidic channel. Methods of using an electrostatic actuator and a pneumatic valve system are also provided.

Electrostatic potential of B-DNA: effect of interionic correlations.

PubMed Central

Gavryushov, S; Zielenkiewicz, P

1998-01-01

Modified Poisson-Boltzmann (MPB) equations have been numerically solved to study ionic distributions and mean electrostatic potentials around a macromolecule of arbitrarily complex shape and charge distribution. Results for DNA are compared with those obtained by classical Poisson-Boltzmann (PB) calculations. The comparisons were made for 1:1 and 2:1 electrolytes at ionic strengths up to 1 M. It is found that ion-image charge interactions and interionic correlations, which are neglected by the PB equation, have relatively weak effects on the electrostatic potential at charged groups of the DNA. The PB equation predicts errors in the long-range electrostatic part of the free energy that are only approximately 1.5 kJ/mol per nucleotide even in the case of an asymmetrical electrolyte. In contrast, the spatial correlations between ions drastically affect the electrostatic potential at significant separations from the macromolecule leading to a clearly predicted effect of charge overneutralization. PMID:9826596

Role of electric fields in the MHD evolution of the kink instability

DOE PAGES

Lapenta, Giovanni; Skender, Marina

2017-02-17

Here, the discovery of electrostatic fields playing a crucial role in establishing plasma motion in the flux conversion and dynamo processes in reversed field pinches is revisited. In order to further elucidate the role of the electrostatic fields, a flux rope configuration susceptible to the kink instability is numerically studied with anMHDcode. Simulated nonlinear evolution of the kink instability is found to confirm the crucial role of the electrostatic fields. Anew insight is gained on the special function of the electrostatic fields: they lead the plasma towards the reconnection site at the mode resonant surface. Without this step the plasmamore » column could not relax to its nonlinear state, since no other agent is present to perform this role. While the inductive field generated directly by the kink instability is the dominant flow driver, the electrostatic field is found to allow the motion in the vicinity of the reconnection region.« less

Ballistic Jumping Drops on Superhydrophobic Surfaces via Electrostatic Manipulation.

PubMed

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.

Electrostatic capacitance and Faraday cage behavior of carbon nanotube forests

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ya'akobovitz, A.; Department of Mechanical Engineering, Faculty of Engineering Sciences, Ben-Gurion University, Beer-Sheva; Bedewy, M.

2015-02-02

Understanding of the electrostatic properties of carbon nanotube (CNT) forests is essential to enable their integration in microelectronic and micromechanical devices. In this study, we sought to understand how the hierarchical geometry and morphology of CNT forests determines their capacitance. First, we find that at small gaps, solid micropillars have greater capacitance, yet at larger gaps the capacitance of the CNT forests is greater. The surface area of the CNT forest accessible to the electrostatic field was extracted by analysis of the measured capacitance, and, by relating the capacitance to the average density of CNTs in the forest, we findmore » that the penetration depth of the electrostatic field is on the order of several microns. Therefore, CNT forests can behave as a miniature Faraday cage. The unique electrostatic properties of CNT forests could therefore enable their use as long-range proximity sensors and as shielding elements for miniature electronic devices.« less

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

PubMed

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.

Anionic lipids and the maintenance of membrane electrostatics in eukaryotes.

PubMed

Platre, Matthieu Pierre; Jaillais, Yvon

2017-02-01

A wide range of signaling processes occurs at the cell surface through the reversible association of proteins from the cytosol to the plasma membrane. Some low abundant lipids are enriched at the membrane of specific compartments and thereby contribute to the identity of cell organelles by acting as biochemical landmarks. Lipids also influence membrane biophysical properties, which emerge as an important feature in specifying cellular territories. Such parameters are crucial for signal transduction and include lipid packing, membrane curvature and electrostatics. In particular, membrane electrostatics specifies the identity of the plasma membrane inner leaflet. Membrane surface charges are carried by anionic phospholipids, however the exact nature of the lipid(s) that powers the plasma membrane electrostatic field varies among eukaryotes and has been hotly debated during the last decade. Herein, we discuss the role of anionic lipids in setting up plasma membrane electrostatics and we compare similarities and differences that were found in different eukaryotic cells.

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

PubMed

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.

On the electrostatic and steric similarity of lactam compounds and the natural substrate for bacterial cell-wall biosynthesis

NASA Astrophysics Data System (ADS)

Frau, J.; Price, S. L.

1996-04-01

Electrostatic and structural properties of a set of β-lactam, γ-lactam and nonlactam compounds have been analyzed and compared with those of a model of the natural substrate d-alanyl- d-alanine for the carboxy- and transpeptidase enzymes. This first comparison of the electrostatic properties has been based on a distributed multipole analysis of high-quality ab initio wave functions of the substrate and potential antibiotics. The electrostatic similarity of the substrate and active compounds is apparent, and contrasts with the electrostatic properties of the noninhibitors. This has been quantified to give a reasonable correlation with the MIC (Minimum Concentration for Inhibition) and with kinetic data (k2/K) in accordance with the model for interaction of the lactam compounds with dd-peptidase. These correlations provide a better prediction of antibacterial activity than purely structural criteria.

Electrostatic capacitance and Faraday cage behavior of carbon nanotube forests

NASA Astrophysics Data System (ADS)

Ya'akobovitz, A.; Bedewy, M.; Hart, A. J.

2015-02-01

Understanding of the electrostatic properties of carbon nanotube (CNT) forests is essential to enable their integration in microelectronic and micromechanical devices. In this study, we sought to understand how the hierarchical geometry and morphology of CNT forests determines their capacitance. First, we find that at small gaps, solid micropillars have greater capacitance, yet at larger gaps the capacitance of the CNT forests is greater. The surface area of the CNT forest accessible to the electrostatic field was extracted by analysis of the measured capacitance, and, by relating the capacitance to the average density of CNTs in the forest, we find that the penetration depth of the electrostatic field is on the order of several microns. Therefore, CNT forests can behave as a miniature Faraday cage. The unique electrostatic properties of CNT forests could therefore enable their use as long-range proximity sensors and as shielding elements for miniature electronic devices.

Role of electric fields in the MHD evolution of the kink instability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lapenta, Giovanni; Skender, Marina

Here, the discovery of electrostatic fields playing a crucial role in establishing plasma motion in the flux conversion and dynamo processes in reversed field pinches is revisited. In order to further elucidate the role of the electrostatic fields, a flux rope configuration susceptible to the kink instability is numerically studied with anMHDcode. Simulated nonlinear evolution of the kink instability is found to confirm the crucial role of the electrostatic fields. Anew insight is gained on the special function of the electrostatic fields: they lead the plasma towards the reconnection site at the mode resonant surface. Without this step the plasmamore » column could not relax to its nonlinear state, since no other agent is present to perform this role. While the inductive field generated directly by the kink instability is the dominant flow driver, the electrostatic field is found to allow the motion in the vicinity of the reconnection region.« less

Power matching between plasma generation and electrostatic acceleration in helicon electrostatic thruster

NASA Astrophysics Data System (ADS)

Ichihara, D.; Nakagawa, Y.; Uchigashima, A.; Iwakawa, A.; Sasoh, A.; Yamazaki, T.

2017-10-01

The effects of a radio-frequency (RF) power on the ion generation and electrostatic acceleration in a helicon electrostatic thruster were investigated with a constant discharge voltage of 300 V using argon as the working gas at a flow rate either of 0.5 Aeq (Ampere equivalent) or 1.0 Aeq. A RF power that was even smaller than a direct-current (DC) discharge power enhanced the ionization of the working gas, thereby both the ion beam current and energy were increased. However, an excessively high RF power input resulted in their saturation, leading to an unfavorable increase in an ionization cost with doubly charged ion production being accompanied. From the tradeoff between the ion production by the RF power and the electrostatic acceleration made by the direct current discharge power, the thrust efficiency has a maximum value at an optimal RF to DC discharge power ratio of 0.6 - 1.0.

Micromachined electrostatic vertical actuator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Abraham P.; Sommargren, Gary E.; McConaghy, Charles F.

A micromachined vertical actuator utilizing a levitational force, such as in electrostatic comb drives, provides vertical actuation that is relatively linear in actuation for control, and can be readily combined with parallel plate capacitive position sensing for position control. The micromachined electrostatic vertical actuator provides accurate movement in the sub-micron to micron ranges which is desirable in the phase modulation instrument, such as optical phase shifting. For example, compact, inexpensive, and position controllable micromirrors utilizing an electrostatic vertical actuator can replace the large, expensive, and difficult-to-maintain piezoelectric actuators. A thirty pound piezoelectric actuator with corner cube reflectors, as utilized inmore » a phase shifting diffraction interferometer can be replaced with a micromirror and a lens. For any very precise and small amplitudes of motion` micromachined electrostatic actuation may be used because it is the most compact in size, with low power consumption and has more straightforward sensing and control options.« less

Micromachined electrostatic vertical actuator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, A.P.; Sommargren, G.E.; McConaghy, C.F.

A micromachined vertical actuator utilizing a levitational force, such as in electrostatic comb drives, provides vertical actuation that is relatively linear in actuation for control, and can be readily combined with parallel plate capacitive position sensing for position control. The micromachined electrostatic vertical actuator provides accurate movement in the sub-micron to micron ranges which is desirable in the phase modulation instrument, such as optical phase shifting. For example, compact, inexpensive, and position controllable micromirrors utilizing an electrostatic vertical actuator can replace the large, expensive, and difficult-to-maintain piezoelectric actuators. A thirty pound piezoelectric actuator with corner cube reflectors, as utilized inmore » a phase shifting diffraction interferometer can be replaced with a micromirror and a lens. For any very precise and small amplitudes of motion, micromachined electrostatic actuation may be used because it is the most compact in size, with low power consumption and has more straightforward sensing and control options.« less

DelPhiForce web server: electrostatic forces and energy calculations and visualization.

PubMed

Li, Lin; Jia, Zhe; Peng, Yunhui; Chakravorty, Arghya; Sun, Lexuan; Alexov, Emil

2017-11-15

Electrostatic force is an essential component of the total force acting between atoms and macromolecules. Therefore, accurate calculations of electrostatic forces are crucial for revealing the mechanisms of many biological processes. We developed a DelPhiForce web server to calculate and visualize the electrostatic forces at molecular level. DelPhiForce web server enables modeling of electrostatic forces on individual atoms, residues, domains and molecules, and generates an output that can be visualized by VMD software. Here we demonstrate the usage of the server for various biological problems including protein-cofactor, domain-domain, protein-protein, protein-DNA and protein-RNA interactions. The DelPhiForce web server is available at: http://compbio.clemson.edu/delphi-force. delphi@clemson.edu. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Review on the Modeling of Electrostatic MEMS

PubMed Central

Chuang, Wan-Chun; Lee, Hsin-Li; Chang, Pei-Zen; Hu, Yuh-Chung

2010-01-01

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. PMID:22219707

Preliminary tests of the electrostatic plasma accelerator

NASA Technical Reports Server (NTRS)

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.

A Feasability Study of the Wheel Electrostatic Spectrometer

NASA Technical Reports Server (NTRS)

Johansen, Michael Ryan; Phillips, James Ralph; Kelley, Joshua David; Mackey, Paul J.; Holbert, Eirik; Clements, Gregory R.; Calle, Carlos I.

2014-01-01

Mars rover missions rely on time-consuming, power-exhausting processes to analyze the Martian regolith. A low power electrostatic sensor in the wheels of a future Mars rover could be used to quickly determine when the rover is driving over a different type of regolith. The Electrostatics and Surface Physics Laboratory at NASA's Kennedy Space Center developed the Wheel Electrostatic Spectrometer as a feasibility study to investigate this option. In this paper, we discuss recent advances in this technology to increase the repeatability of the tribocharging experiments, along with supporting data. In addition, we discuss the development of a static elimination tool optimized for Martian conditions.

The polarized Debye sheath effect on Kadomtsev-Petviashvili electrostatic structures in strongly coupled dusty plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shahmansouri, M.; Alinejad, H.

2015-04-15

We give a theoretical investigation on the dynamics of nonlinear electrostatic waves in a strongly coupled dusty plasma with strong electrostatic interaction between dust grains in the presence of the polarization force (i.e., the force due to the polarized Debye sheath). Adopting a reductive perturbation method, we derived a three-dimensional Kadomtsev-Petviashvili equation that describes the evolution of weakly nonlinear electrostatic localized waves. The energy integral equation is used to study the existence domains of the localized structures. The analysis provides the localized structure existence region, in terms of the effects of strong interaction between the dust particles and polarization force.

Coupled electrostatic and material surface stresses yield anomalous particle interactions and deformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kemp, B. A., E-mail: bkemp@astate.edu; Nikolayev, I.; Sheppard, C. J.

2016-04-14

Like-charges repel, and opposite charges attract. This fundamental tenet is a result of Coulomb's law. However, the electrostatic interactions between dielectric particles remain topical due to observations of like-charged particle attraction and the self-assembly of colloidal systems. Here, we show, using both an approximate description and an exact solution of Maxwell's equations, that nonlinear charged particle forces result even for linear material systems and can be responsible for anomalous electrostatic interactions such as like-charged particle attraction and oppositely charged particle repulsion. Furthermore, these electrostatic interactions and the deformation of such particles have fundamental implications for our understanding of macroscopic electrodynamics.

Electrostatic and electromagnetic gyroharmonic emissions due to energetic electrons in magnetospheric plasma

NASA Technical Reports Server (NTRS)

Curtis, S. A.; Wu, C. S.

1979-01-01

The paper derives the growth rates and growth lengths of the electrostatic emission for spatially homogeneous and inhomogeneous energetic electrons, and numerically evaluates the growth rate and growth length spectra for several parameter sets representative of magnetospheric plasmas. In addition, the growth rates are derived for the case of electromagnetic emission modeled by the ordinary mode. The numerical results of the electromagnetic and electrostatic cases are compared with observations made by satellites in the earth's magnetosphere. It is concluded that the electrostatic gyroharmonic excitation is possible without the cold composition of plasma which is often postulated in the existing literature.

Improving controllable adhesion on both rough and smooth surfaces with a hybrid electrostatic/gecko-like adhesive

PubMed Central

Ruffatto, Donald; Parness, Aaron; Spenko, Matthew

2014-01-01

This paper describes a novel, controllable adhesive that combines the benefits of electrostatic adhesives with gecko-like directional dry adhesives. When working in combination, the two technologies create a positive feedback cycle whose adhesion, depending on the surface type, is often greater than the sum of its parts. The directional dry adhesive brings the electrostatic adhesive closer to the surface, increasing its effect. Similarly, the electrostatic adhesion helps engage more of the directional dry adhesive fibrillar structures, particularly on rough surfaces. This paper presents the new hybrid adhesive's manufacturing process and compares its performance to three other adhesive technologies manufactured using a similar process: reinforced PDMS, electrostatic and directional dry adhesion. Tests were performed on a set of ceramic tiles with varying roughness to quantify its effect on shear adhesive force. The relative effectiveness of the hybrid adhesive increases as the surface roughness is increased. Experimental data are also presented for different substrate materials to demonstrate the enhanced performance achieved with the hybrid adhesive. Results show that the hybrid adhesive provides up to 5.1× greater adhesion than the electrostatic adhesive or directional dry adhesive technologies alone. PMID:24451392

Effects of conformational ordering on protein/polyelectrolyte electrostatic complexation: ionic binding and chain stiffening

PubMed Central

Cao, Yiping; Fang, Yapeng; Nishinari, Katsuyoshi; Phillips, Glyn O.

2016-01-01

Coupling of electrostatic complexation with conformational transition is rather general in protein/polyelectrolyte interaction and has important implications in many biological processes and practical applications. This work studied the electrostatic complexation between κ-carrageenan (κ-car) and type B gelatin, and analyzed the effects of the conformational ordering of κ-car induced upon cooling in the presence of potassium chloride (KCl) or tetramethylammonium iodide (Me4NI). Experimental results showed that the effects of conformational ordering on protein/polyelectrolyte electrostatic complexation can be decomposed into ionic binding and chain stiffening. At the initial stage of conformational ordering, electrostatic complexation can be either suppressed or enhanced due to the ionic bindings of K+ and I− ions, which significantly alter the charge density of κ-car or occupy the binding sites of gelatin. Beyond a certain stage of conformational ordering, i.e., helix content θ > 0.30, the effect of chain stiffening, accompanied with a rapid increase in helix length ζ, becomes dominant and tends to dissociate the electrostatic complexation. The effect of chain stiffening can be theoretically interpreted in terms of double helix association. PMID:27030165

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

PubMed

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.

Investigation of electrostatic behavior of a lactose carrier for dry powder inhalers.

PubMed

Chow, Keat Theng; Zhu, Kewu; Tan, Reginald B H; Heng, Paul W S

2008-12-01

This study aims to elucidate the electrostatic behavior of a model lactose carrier used in dry powder inhaler formulations by examining the effects of ambient relative humidity (RH), aerosolization air flow rate, repeated inhaler use, gelatin capsule and tapping on the specific charge (nC/g) of bulk and aerosolized lactose. Static and dynamic electrostatic charge measurements were performed using a Faraday cage connected to an electrometer. Experiments were conducted inside a walk-in environmental chamber at 25 degrees C and RHs of 20% to 80%. Aerosolization was achieved using air flow rates of 30, 45, 60 and 75 L/min. The initial charges of the bulk and capsulated lactose were a magnitude lower than the charges of tapped or aerosolized lactose. Dynamic charge increased linearly with aerosolization air flow rate and RH. Greater frictional forces at higher air flow rate induced higher electrostatic charges. Increased RH enhanced charge generation. Repeated inhaler use significantly influenced electrostatic charge due to repeated usage. This study demonstrated the significance of interacting influences by variables commonly encountered in the use DPI such as variation in patient's inspiratory flow rate, ambient RH and repeated inhaler use on the electrostatic behavior of a lactose DPI carrier.

Narrow infrasound pulses from lightning; are they of electrostatic or thermal origin?

NASA Astrophysics Data System (ADS)

CHUM, Jaroslav; Diendorfer, Gerhard; Šindelářová, Tereza; Baše, Jiří; Hruška, František

2014-05-01

Narrow (~1-2 s) infrasound pulses that followed, with ~11 to ~50 s delays, rapid changes of electrostatic field were observed by a microbarometer array in the Czech Republic during thunderstorm activity. The angles of arrival (azimuth and elevation) were analyzed for selected distinct events. Comparisons of distances and azimuths of infrasound sources from the center of microbarometer array with lightning locations determined by EUCLID lightning detection network show that most of the selected events are most likely associated with intra-cloud (IC) discharges. Preceding rapid changes of electrostatic field, potential association of infrasound pulses with IC discharges, and high elevation angles of arrival for near infrasound sources indicate that an electrostatic mechanism is probably responsible for their generation. It is discussed that distinguishing of the relative role of thermal and electrostatic mechanism is difficult, and that none of published models of electrostatic production of infrasound thunder can explain the presented observations precisely. A modification of the current models, based on consideration of at least two charged layers is suggested. Further theoretical and experimental investigations are however needed to get a better description of the generation mechanism of those infrasound pulses.

Dual actuation micro-mirrors

NASA Astrophysics Data System (ADS)

Alneamy, A. M.; Khater, M. E.; Al-Ghamdi, M. S.; Park, S.; Heppler, G. R.; Abdel-Rahman, E. M.

2018-07-01

This paper investigates the performance of cantilever-type micro-mirrors under electromagnetic, electrostatic and dual actuation. We developed and validated a two-DOFs model of the coupled bending-torsion motions of the mirror and used it in conjunction with experiments in air and in vacuum to compare all three actuation methods. We found that electromagnetic actuation is the most effective delivering a scanning range of  ± out of a geometrically allowable range of  ± at a current amplitude i  =  3 mA and a magnetic field of B  =  30 mT. Electrostatic actuation, whether alone or in conjunction with electromagnetic actuation, limited the stable angular range to smaller values (as small as ) due to the presence of spurious piston motions. This is an innate characteristic of micro-scale electrostatic actuation, the electrostatic force and the undesirable piston motion grow faster than the electrostatic torque and the desired angular displacement as the voltage is increased and they limit the stable angular range. Finally, we found that the dual actuation can be used to design two-DOF mirrors where electromagnetic actuation drives angular motion for optical beam steering and electrostatic actuation drives piston motion to control the mirror focus.

A Paramagnetic Molecular Voltmeter

PubMed Central

Surek, Jack T.; Thomas, David D.

2008-01-01

We have developed a general electron paramagnetic resonance (EPR) method to measure electrostatic potential at spin labels on proteins to millivolt accuracy. Electrostatic potential is fundamental to energy-transducing proteins like myosin, because molecular energy storage and retrieval is primarily electrostatic. Quantitative analysis of protein electrostatics demands a site-specific spectroscopic method sensitive to millivolt changes. Previous electrostatic potential studies on macromolecules fell short in sensitivity, accuracy and/or specificity. Our approach uses fast-relaxing charged and neutral paramagnetic relaxation agents (PRAs) to increase nitroxide spin label relaxation rate solely through collisional spin exchange. These PRAs were calibrated in experiments on small nitroxides of known structure and charge to account for differences in their relaxation efficiency. Nitroxide longitudinal (R1) and transverse (R2) relaxation rates were separated by applying lineshape analysis to progressive saturation spectra. The ratio of measured R1 increases for each pair of charged and neutral PRAs measures the shift in local PRA concentration due to electrostatic potential. Voltage at the spin label is then calculated using the Boltzmann equation. Measured voltages for two small charged nitroxides agree with Debye-Hückel calculations. Voltage for spin-labeled myosin fragment S1 also agrees with calculation based on the pK shift of the reacted cysteine. PMID:17964835

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

PubMed

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 steering and ionic tethering in enzyme–ligand binding: Insights from simulations

PubMed Central

Wade, Rebecca C.; Gabdoulline, Razif R.; Lüdemann, Susanna K.; Lounnas, Valère

1998-01-01

To bind at an enzyme’s active site, a ligand must diffuse or be transported to the enzyme’s surface, and, if the binding site is buried, the ligand must diffuse through the protein to reach it. Although the driving force for ligand binding is often ascribed to the hydrophobic effect, electrostatic interactions also influence the binding process of both charged and nonpolar ligands. First, electrostatic steering of charged substrates into enzyme active sites is discussed. This is of particular relevance for diffusion-influenced enzymes. By comparing the results of Brownian dynamics simulations and electrostatic potential similarity analysis for triose-phosphate isomerases, superoxide dismutases, and β-lactamases from different species, we identify the conserved features responsible for the electrostatic substrate-steering fields. The conserved potentials are localized at the active sites and are the primary determinants of the bimolecular association rates. Then we focus on a more subtle effect, which we will refer to as “ionic tethering.” We explore, by means of molecular and Brownian dynamics simulations and electrostatic continuum calculations, how salt links can act as tethers between structural elements of an enzyme that undergo conformational change upon substrate binding, and thereby regulate or modulate substrate binding. This is illustrated for the lipase and cytochrome P450 enzymes. Ionic tethering can provide a control mechanism for substrate binding that is sensitive to the electrostatic properties of the enzyme’s surroundings even when the substrate is nonpolar. PMID:9600896

The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations.

PubMed

Kato, Mitsunori; Pisliakov, Andrei V; Warshel, Arieh

2006-09-01

The origin of the barrier for proton transport through the aquaporin channel is a problem of general interest. It is becoming increasingly clear that this barrier is not attributable to the orientation of the water molecules across the channel but rather to the electrostatic penalty for moving the proton charge to the center of the channel. However, the reason for the high electrostatic barrier is still rather controversial. It has been argued by some workers that the barrier is due to the so-called NPA motif and/or to the helix macrodipole or to other specific elements. However, our works indicated that the main reason for the high barrier is the loss of the generalized solvation upon moving the proton charge from the bulk to the center of the channel and that this does not reflect a specific repulsive electrostatic interaction but the absence of sufficient electrostatic stabilization. At this stage it seems that the elucidation and clarification of the origin of the electrostatic barrier can serve as an instructive test case for electrostatic models. Thus, we reexamine the free-energy surface for proton transport in aquaporins using the microscopic free-energy perturbation/umbrella sampling (FEP/US) and the empirical valence bond/umbrella sampling (EVB/US) methods as well as the semimacroscopic protein dipole Langevin dipole model in its linear response approximation version (the PDLD/S-LRA). These extensive studies help to clarify the nature of the barrier and to establish the "reduced solvation effect" as the primary source of this barrier. That is, it is found that the barrier is associated with the loss of the generalized solvation energy (which includes of course all electrostatic effects) upon moving the proton charge from the bulk solvent to the center of the channel. It is also demonstrated that the residues in the NPA region and the helix dipole cannot be considered as the main reasons for the electrostatic barrier. Furthermore, our microscopic and semimacroscopic studies clarify the problems with incomplete alternative calculations, illustrating that the effects of various electrostatic elements are drastically overestimated by macroscopic calculations that use a low dielectric constant and do not consider the protein reorganization. Similarly, it is pointed out that microscopic potential of mean force calculations that do not evaluate the electrostatic barrier relative to the bulk water cannot be used to establish the origin of the electrostatic barrier. The relationship between the present study and calculations of pK(a)s in protein interiors is clarified, pointing out that approaches that are applied to study the aquaporin barrier should be validated by pK(a)s calculations. Such calculations also help to clarify the crucial role of solvation energies in establishing the barrier in aquaporins. (c) 2006 Wiley-Liss, Inc.

Like-charged protein-polyelectrolyte complexation driven by charge patches

NASA Astrophysics Data System (ADS)

Yigit, Cemil; Heyda, Jan; Ballauff, Matthias; Dzubiella, Joachim

2015-08-01

We study the pair complexation of a single, highly charged polyelectrolyte (PE) chain (of 25 or 50 monomers) with like-charged patchy protein models (CPPMs) by means of implicit-solvent, explicit-salt Langevin dynamics computer simulations. Our previously introduced set of CPPMs embraces well-defined zero-, one-, and two-patched spherical globules each of the same net charge and (nanometer) size with mono- and multipole moments comparable to those of globular proteins with similar size. We observe large binding affinities between the CPPM and the like-charged PE in the tens of the thermal energy, kBT, that are favored by decreasing salt concentration and increasing charge of the patch(es). Our systematic analysis shows a clear correlation between the distance-resolved potentials of mean force, the number of ions released from the PE, and CPPM orientation effects. In particular, we find a novel two-site binding behavior for PEs in the case of two-patched CPPMs, where intermediate metastable complex structures are formed. In order to describe the salt-dependence of the binding affinity for mainly dipolar (one-patched) CPPMs, we introduce a combined counterion-release/Debye-Hückel model that quantitatively captures the essential physics of electrostatic complexation in our systems.

Progress Toward Electrostatic Radiation Shielding of Interplanetary Spacecraft: Strategies, Concepts and Technical Challenges of Human Exploration Beyond Low Earth Orbit

NASA Technical Reports Server (NTRS)

Metzger, Philip T.; Lane, John E.; Youngquist, Robert C.

2004-01-01

The radiation problem is a serious obstacle to solar system exploration. Electrostatic shielding was previously dismissed as unworkable. This was based on the false assumption that radial symmetry is needed to provide isotropic protection. KSC recently demonstrated the feasibility of asymmetric, multipole electrostatic shielding. Combined with passive shielding it might solve the radiation problem

Non-inertial calibration of vibratory gyroscopes

NASA Technical Reports Server (NTRS)

Gutierrez, Roman C. (Inventor); Tang, Tony K. (Inventor)

2003-01-01

The electrostatic elements already present in a vibratory gyroscope are used to simulate the Coriolis forces. An artificial electrostatic rotation signal is added to the closed-loop force rebalance system. Because the Coriolis force is at the same frequency as the artificial electrostatic force, the simulated force may be introduced into the system to perform an inertial test on MEMS vibratory gyroscopes without the use of a rotation table.

Improved Electronic Control for Electrostatic Precipitators

NASA Technical Reports Server (NTRS)

Johnston, D. F.

1986-01-01

Electrostatic precipitators remove particulate matter from smoke created by burning refuse. Smoke exposed to electrostatic field, and particles become electrically charged and migrate to electrically charged collecting surfaces. New microprocessor-based electronic control maintains precipitator power at maximum particulate-collection level. Control automatically senses changes in smoke composition due to variations in fuel or combustion and adjusts precipitator voltage and current accordingly. Also, sensitive yet stable fault detection provided.

Non-contact Measurement of Creep in Ultra-High-Temperature Materials

DTIC Science & Technology

2009-11-04

Task 1: Process UHTC materials at the relevant temperatures in Electrostatic Levitation for extended periods. 5 3.5 Task 2: Prepare the required high...Electrostatic Levitation ITI Industrial Tectonics, Inc. MSFC NASA George C. Marshall Space Flight Center NASA National Aeronautics and Space...was divided into certain research questions: Can high-precision UHTC spheres be processed in Electrostatic Levitation (ESL) at the relevant

Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 2-(azidomethyl)-2-nitropropane-1,3-diyl dinitrate (AMDNNM), bis- aminofurazan diamino-octanitro-azobenzene (BAFDAONAB), and bis-nitrofurazan diamino-octanitro-azobenzene (BNFDAONAB)

DTIC Science & Technology

2016-04-01

2 Fig. 2 Electrostatic potential map of AMDNNM: a) without and b) with molecule overlay...3 Fig. 3 Electrostatic potential map of BAFDAONAB: a) without and b) with molecule...overlay ....................................................................................4 Fig. 4 Electrostatic potential map of BNFDAONAB: a) without

Effects of capacitors, resistors, and residual charges on the static and dynamic performance of electrostatically actuated devices

NASA Astrophysics Data System (ADS)

Chan, Edward K.; Dutton, Robert W.

1999-03-01

The important practical and realistic design issues of an electrostatic actuator/positioner with full-gap travel are discussed. Analytic expressions and numerical simulations show that parasitic capacitances, and non-uniform deformation in two and three dimensions influence the range of travel of an electrostatic positioner stabilized by the addition of a series capacitor. The effects of residual charge on electrostatically-actuated devices are described. The dynamic stepping characteristics of the positioner under compressible squeeze-film damping and resistive damping are compared. The physical descriptions of devices being fabricated in the MUMPs process are presented along with 3D simulation results that demonstrate viability.

Electrostatic waves in the warm magnetoplasma at the cyclotron harmonic frequencies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gwal, A.K.; Misra, K.D.

1977-09-01

Mode conversion and collisionless absorption of electromagnetic wave at the cyclotron harmonic frequencies in an inhomogeneous non-Maxwellian magnetoplasma have been studied. Under suitable energy transfer condition the converted electrostatic wave (plasma wave) either grows or damps. The expressions for the growth/damping rates of this wave have been derived and studied at the cyclotron harmonic frequencies. The effect of the temperature anisotropy on the growth/damping rate of the electrostatic wave at the second cyclotron harmonic frequency has been shown. Growth of such electrostatic waves at ionospheric heights may explain the observed upper hybrid resonance (UHR) echoes and noise bands at themore » second cyclotron harmonic frequency.« less

Electrostatic micromotor based on ferroelectric ceramics

NASA Astrophysics Data System (ADS)

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.

Electrostatic coating technologies for food processing.

PubMed

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.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sackett, S.J.

JASON solves general electrostatics problems having either slab or cylindrical symmetry. More specifically, it solves the self-adjoint elliptic equation, div . (KgradV) - ..gamma..V + rho = 0 in an aritrary two-dimensional domain. For electrostatics, V is the electrostatic potential, K is the dielectric tensor, and rho is the free-charge density. The parameter ..gamma.. is identically zero for electrostatics but may have a positive nonzero value in other cases (e.g., capillary surface problems with gravity loading). The system of algebraic equations used in JASON is generated by the finite element method. Four-node quadrilateral elements are used for most of themore » mesh. Triangular elements, however, are occasionally used on boundaries to avoid severe mesh distortions. 15 figures. (RWR)« less

Electrostatic ``bounce'' instability in a magnetotail configuration

NASA Astrophysics Data System (ADS)

Fruit, G.; Louarn, P.; Tur, A.

2013-02-01

To understand the possible destabilization of two-dimensional current sheets, a kinetic model is proposed to describe the resonant interaction between electrostatic modes and trapped particles that bounce within the sheet. This work follows the initial investigation by Tur et al. [Phys. Plasmas 17, 102905 (2010)] that is revised and extended. Using a quasi-parabolic equilibrium state, the linearized gyro-kinetic Vlasov equation is solved for electrostatic fluctuations with period of the order of the electron bounce period. Using an appropriated Fourier expansion of the particle motion along the magnetic field, the complete time integration of the non-local perturbed distribution functions is performed. The dispersion relation for electrostatic modes is then obtained through the quasineutrality condition. It is found that strongly unstable electrostatic modes may develop provided that the current sheet is moderately stretched and, more important, that the proportion of passing particle remains small (less than typically 10%). This strong but finely tuned instability may offer opportunities to explain features of magnetospheric substorms.

Comparison of intense electrostatic waves near f/sub UHR/ with linear instability theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kurth, W.S.; Frank, L.A.; Gurnett, D.A.

1979-06-01

Intense electrostatic waves beyond the plasmapause have recently been identified at frequencies near the upper hybrid resonance frequency. In addition, the waves occur within a band at an odd, half-harmonic of the local electron gyrofrequency. These bands of electrostatic turbulence are among the most intense waves detected within the earth's magnetosphere. Measurements obtained with the ISEE 1 plasma wave receiver show that the intense waves appear to be intensifications of an electrostatic cyclotron harmonic band near the upper hybrid resonance frequency. A straightforward explanation of intense waves at the upper hybrid resonance frequency exists in the electrostatic multi-cyclotron emission theory.more » For a broad range of plasma parameters nonconvective instability or large spatial growth rates occur within the cyclotron band encompassing the cold upper hybrid frequency. Comparison of spatial growth rate spectra with measured wave spectra shows that there is excellent qualitative agreement between the linear theory and the observed wave characteristics.« less

Anionic lipids and the maintenance of membrane electrostatics in eukaryotes

PubMed Central

Platre, Matthieu Pierre

2017-01-01

ABSTRACT A wide range of signaling processes occurs at the cell surface through the reversible association of proteins from the cytosol to the plasma membrane. Some low abundant lipids are enriched at the membrane of specific compartments and thereby contribute to the identity of cell organelles by acting as biochemical landmarks. Lipids also influence membrane biophysical properties, which emerge as an important feature in specifying cellular territories. Such parameters are crucial for signal transduction and include lipid packing, membrane curvature and electrostatics. In particular, membrane electrostatics specifies the identity of the plasma membrane inner leaflet. Membrane surface charges are carried by anionic phospholipids, however the exact nature of the lipid(s) that powers the plasma membrane electrostatic field varies among eukaryotes and has been hotly debated during the last decade. Herein, we discuss the role of anionic lipids in setting up plasma membrane electrostatics and we compare similarities and differences that were found in different eukaryotic cells. PMID:28102755

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

NASA Astrophysics Data System (ADS)

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.

Characterizing the Performance of the Wheel Electrostatic Spectrometer

NASA Technical Reports Server (NTRS)

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

Pyrotechnic hazards classification and evaluation program. Electrostatic vulnerability of the E8 and XM15/XM165 clusters, phase 2

NASA Technical Reports Server (NTRS)

1971-01-01

An investigation into the electrostatic phenomena associated with the manufacturing and handling of explosives is discussed. The testing includes measurement of the severity of the primary charge generation mechanism, triboelectric effects between dissimilar surfaces; refinement of equivalent circuits of the XM15/XM165 and E8 fuse trains; evaluation of the electrostatic spark discharge characteristics predicted by an equivalent circuit analysis; and determination of the spark ignition sensitivity of materials, components, junctions, and subassemblies which compose the XM15/XM165 and E8 units. Special studies were also performed. These special tests included ignition sensitivity of the complete XM15 fuse train when subjected to discharges through its entire length, measurement of electrostatic potentials which occur during the E8 foaming operation during fabrication, and investigation of the inadvertent functioning of an XM15 cluster during manufacturing. The test results are discussed and related to the effectiveness of suggested modification to reduce the electrostatic ignition sensitivity.

DNA packaging in viral capsids with peptide arms.

PubMed

Cao, Qianqian; Bachmann, Michael

2017-01-18

Strong chain rigidity and electrostatic self-repulsion of packed double-stranded DNA in viruses require a molecular motor to pull the DNA into the capsid. However, what is the role of electrostatic interactions between different charged components in the packaging process? Though various theories and computer simulation models were developed for the understanding of viral assembly and packaging dynamics of the genome, long-range electrostatic interactions and capsid structure have typically been neglected or oversimplified. By means of molecular dynamics simulations, we explore the effects of electrostatic interactions on the packaging dynamics of DNA based on a coarse-grained DNA and capsid model by explicitly including peptide arms (PAs), linked to the inner surface of the capsid, and counterions. Our results indicate that the electrostatic interactions between PAs, DNA, and counterions have a significant influence on the packaging dynamics. We also find that the packed DNA conformations are largely affected by the structure of the PA layer, but the packaging rate is insensitive to the layer structure.

Electrostatic Effects in Filamentous Protein Aggregation

PubMed Central

Buell, Alexander K.; Hung, Peter; Salvatella, Xavier; Welland, Mark E.; Dobson, Christopher M.; Knowles, Tuomas P.J.

2013-01-01

Electrostatic forces play a key role in mediating interactions between proteins. However, gaining quantitative insights into the complex effects of electrostatics on protein behavior has proved challenging, due to the wide palette of scenarios through which both cations and anions can interact with polypeptide molecules in a specific manner or can result in screening in solution. In this article, we have used a variety of biophysical methods to probe the steady-state kinetics of fibrillar protein self-assembly in a highly quantitative manner to detect how it is modulated by changes in solution ionic strength. Due to the exponential modulation of the reaction rate by electrostatic forces, this reaction represents an exquisitely sensitive probe of these effects in protein-protein interactions. Our approach, which involves a combination of experimental kinetic measurements and theoretical analysis, reveals a hierarchy of electrostatic effects that control protein aggregation. Furthermore, our results provide a highly sensitive method for the estimation of the magnitude of binding of a variety of ions to protein molecules. PMID:23473495

Dynamics of Quasi-Electrostatic Whistler waves in Earth's Radiation belts

NASA Astrophysics Data System (ADS)

Goyal, R.; Sharma, R. P.; Gupta, D. N.

2017-12-01

A numerical model is proposed to study the dynamics of high amplitude quasi-electrostatic whistler waves propagating near resonance cone angle and their interaction with finite frequency kinetic Alfvén waves (KAWs) in Earth's radiation belts. The quasi-electrostatic character of whistlers is narrated by dynamics of wave propagating near resonance cone. A high amplitude whistler wave packet is obtained using the present analysis which has also been observed by S/WAVES instrument onboard STEREO. The numerical simulation technique employed to study the dynamics, leads to localization (channelling) of waves as well as turbulent spectrum suggesting the transfer of wave energy over a range of frequencies. The turbulent spectrum also indicates the presence of quasi-electrostatic whistlers and density fluctuations associated with KAW in radiation belts plasma. The ponderomotive force of pump quasi-electrostatic whistlers (high frequency) is used to excite relatively much lower frequency waves (KAWs). The wave localization and steeper spectra could be responsible for particle energization or heating in radiation belts.

Role of electrostatic interactions in the assembly of empty spherical viral capsids

NASA Astrophysics Data System (ADS)

Šiber, Antonio; Podgornik, Rudolf

2007-12-01

We examine the role of electrostatic interactions in the assembly of empty spherical viral capsids. The charges on the protein subunits that make the viral capsid mutually interact and are expected to yield electrostatic repulsion acting against the assembly of capsids. Thus, attractive protein-protein interactions of nonelectrostatic origin must act to enable the capsid formation. We investigate whether the interplay of repulsive electrostatic and attractive interactions between the protein subunits can result in the formation of spherical viral capsids of a preferred radius. For this to be the case, we find that the attractive interactions must depend on the angle between the neighboring protein subunits (i.e., on the mean curvature of the viral capsid) so that a particular angle(s) is (are) preferred energywise. Our results for the electrostatic contributions to energetics of viral capsids nicely correlate with recent experimental determinations of the energetics of protein-protein contacts in the hepatitis B virus [P. Ceres A. Zlotnick, Biochemistry 41, 11525 (2002)].

A versatile electrostatic trap with open optical access

NASA Astrophysics Data System (ADS)

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.

Magnetosheath electrostatic turbulence

NASA Technical Reports Server (NTRS)

Rodriquez, P.

1977-01-01

The spectrum of electrostatic plasma waves in the terrestrial magnetosheath was studied using the plasma wave experiment on the IMP-6 satellite. Electrostatic plasma wave turbulence is almost continuously present throughout the magnetosheath with broadband (20 Hz- 70 kHz) r.m.s. field intensities typically 0.01 - 1.0 millivolts/m. Peak intensities of about 1.0 millivolts/m near the electron plasma frequency (30 - 60 kHz) were detected occasionally. The components usually identified in the spectrum of magnetosheath electrostatic turbulence include a high frequency ( or = 30 kHz) component peaking at the electron plasma frequency f sub pe, a low frequency component with a broad intensity maximum below the nominal ion plasma frequency f sub pi (approximately f sub pe/43), and a less well defined intermediate component in the range f sub pi f f sub pe. 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.

Electromagnetic and electrostatic emissions at the cusp-magnetosphere interface during substorms

NASA Technical Reports Server (NTRS)

Curtis, S. A.; Fairfield, D. H.; Wu, C. S.

1979-01-01

Strongly peaked electrostatic emissions near 10.0 kHz and electromagnetic emissions near 0.56 kHz have been observed by the VLF wave detector on board Imp 6 on crossings from the earth's magnetosphere into the polar cusp during the occurrence of large magnetospheric substorms. The electrostatic emissions were observed to be closely confined to the cusp-magnetosphere interface. The electromagnetic emissions were of somewhat broader spatial extent and were seen on higher-latitude field lines within the cusp. Using these plasma wave observations and additional information provided by plasma, magnetometer and particle measurements made simultaneously on Imp 6, theories are constructed to explain each of the two classes of emission. The electromagnetic waves are modeled as whistlers, and the electrostatic waves as electron-cyclotron harmonics. The resulting growth rates predict power spectra similar to those observed for both emission classes. The electrostatic waves may play a significant role via enhanced diffusion in the relaxation of the sharp substorm time cusp-magnetosphere boundary to a more diffuse quiet time boundary.

Variable stiffness sandwich panels using electrostatic interlocking core

NASA Astrophysics Data System (ADS)

Heath, Callum J. C.; Bond, Ian P.; Potter, Kevin D.

2016-04-01

Structural topology has a large impact on the flexural stiffness of a beam structure. Reversible attachment between discrete substructures allows for control of shear stress transfer between structural elements, thus stiffness modulation. Electrostatic adhesion has shown promise for providing a reversible latching mechanism for controllable internal connectivity. Building on previous research, a thin film copper polyimide laminate has been used to incorporate high voltage electrodes to Fibre Reinforced Polymer (FRP) sandwich structures. The level of electrostatic holding force across the electrode interface is key to the achievable level of stiffness modulation. The use of non-flat interlocking core structures can allow for a significant increase in electrode contact area for a given core geometry, thus a greater electrostatic holding force. Interlocking core geometries based on cosine waves can be Computer Numerical Control (CNC) machined from Rohacell IGF 110 Foam core. These Interlocking Core structures could allow for enhanced variable stiffness functionality compared to basic planar electrodes. This novel concept could open up potential new applications for electrostatically induced variable stiffness structures.

Ewald Summation Approach to Potential Models of Aqueous Electrolytes Involving Gaussian Charges and Induced Dipoles: Formal and Simulation Results

DOE PAGES

Chialvo, Ariel A.; Vlcek, Lukas

2014-11-01

We present a detailed derivation of the complete set of expressions required for the implementation of an Ewald summation approach to handle the long-range electrostatic interactions of polar and ionic model systems involving Gaussian charges and induced dipole moments with a particular application to the isobaricisothermal molecular dynamics simulation of our Gaussian Charge Polarizable (GCP) water model and its extension to aqueous electrolytes solutions. The set comprises the individual components of the potential energy, electrostatic potential, electrostatic field and gradient, the electrostatic force and the corresponding virial. Moreover, we show how the derived expressions converge to known point-based electrostatic counterpartsmore » when the parameters, defining the Gaussian charge and induced-dipole distributions, are extrapolated to their limiting point values. Finally, we illustrate the Ewald implementation against the current reaction field approach by isothermal-isobaric molecular dynamics of ambient GCP water for which we compared the outcomes of the thermodynamic, microstructural, and polarization behavior.« less

Electrostatic camera system functional design study

NASA Technical Reports Server (NTRS)

Botticelli, R. A.; Cook, F. J.; Moore, R. F.

1972-01-01

A functional design study for an electrostatic camera system for application to planetary missions is presented. The electrostatic camera can produce and store a large number of pictures and provide for transmission of the stored information at arbitrary times after exposure. Preliminary configuration drawings and circuit diagrams for the system are illustrated. The camera system's size, weight, power consumption, and performance are characterized. Tradeoffs between system weight, power, and storage capacity are identified.

APPARATUS FOR CLEANING GASES WITH ELECTROSTATICALLY CHARGED PARTICLES

DOEpatents

Johnstone, H.F.

1960-02-01

An apparatus is described for cleaning gases with the help of electrostatically charged pellets. The pellets are blown past baffles in a conduit and into the center of a rotuting body of the gas to be cleaned. The pellets are charged electrostatically by impinging on the baffles. The pellets collect the particles suspended in the gas in their passage from the center of the rotating body to its edge.

Electrostatic Levitation Furnace for the ISS

NASA Technical Reports Server (NTRS)

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

Lab-on-a-Chip Sensor for Monitoring Perchlorate in Ground and Surface Water

DTIC Science & Technology

2012-02-01

uses zwitterionic surfactants was immobilized on either a conventional or membrane-based stationary phase (electrostatic ion chromatography ) em...substantially higher than that of drinking water. A novel extraction method incorporat- ing the fundamentals of electrostatic ion chromatography (EIC) was...electrostatic ion chromatography (EIC), is presented as a way to overcome this challenge. Two extraction formats, employing either a packed bed or a monolith

Electrostatic contribution to the binding stability of protein-protein complexes.

PubMed

Dong, Feng; Zhou, Huan-Xiang

2006-10-01

To investigate roles of electrostatic interactions in protein binding stability, electrostatic calculations were carried out on a set of 64 mutations over six protein-protein complexes. These mutations alter polar interactions across the interface and were selected for putative dominance of electrostatic contributions to the binding stability. Three protocols of implementing the Poisson-Boltzmann model were tested. In vdW4 the dielectric boundary between the protein low dielectric and the solvent high dielectric is defined as the protein van der Waals surface and the protein dielectric constant is set to 4. In SE4 and SE20, the dielectric boundary is defined as the surface of the protein interior inaccessible to a 1.4-A solvent probe, and the protein dielectric constant is set to 4 and 20, respectively. In line with earlier studies on the barnase-barstar complex, the vdW4 results on the large set of mutations showed the closest agreement with experimental data. The agreement between vdW4 and experiment supports the contention of dominant electrostatic contributions for the mutations, but their differences also suggest van der Waals and hydrophobic contributions. The results presented here will serve as a guide for future refinement in electrostatic calculation and inclusion of nonelectrostatic effects. Proteins 2006. (c) 2006 Wiley-Liss, Inc.

PBEQ-Solver for online visualization of electrostatic potential of biomolecules.

PubMed

Jo, Sunhwan; Vargyas, Miklos; Vasko-Szedlar, Judit; Roux, Benoît; Im, Wonpil

2008-07-01

PBEQ-Solver provides a web-based graphical user interface to read biomolecular structures, solve the Poisson-Boltzmann (PB) equations and interactively visualize the electrostatic potential. PBEQ-Solver calculates (i) electrostatic potential and solvation free energy, (ii) protein-protein (DNA or RNA) electrostatic interaction energy and (iii) pKa of a selected titratable residue. All the calculations can be performed in both aqueous solvent and membrane environments (with a cylindrical pore in the case of membrane). PBEQ-Solver uses the PBEQ module in the biomolecular simulation program CHARMM to solve the finite-difference PB equation of molecules specified by users. Users can interactively inspect the calculated electrostatic potential on the solvent-accessible surface as well as iso-electrostatic potential contours using a novel online visualization tool based on MarvinSpace molecular visualization software, a Java applet integrated within CHARMM-GUI (http://www.charmm-gui.org). To reduce the computational time on the server, and to increase the efficiency in visualization, all the PB calculations are performed with coarse grid spacing (1.5 A before and 1 A after focusing). PBEQ-Solver suggests various physical parameters for PB calculations and users can modify them if necessary. PBEQ-Solver is available at http://www.charmm-gui.org/input/pbeqsolver.

Infrasound pulses from lightning and electrostatic field changes: Observation and discussion

NASA Astrophysics Data System (ADS)

Chum, J.; Diendorfer, G.; Å indelářová, T.; Baše, J.; Hruška, F.

2013-10-01

Narrow (~1-2 s) infrasound pulses that followed, with ~11 to ~50 s delays, rapid changes of electrostatic field were observed by a microbarometer array in the Czech Republic during thunderstorm activity. A positive pressure fluctuation (compression phase) always preceded decompression; the compression was usually higher than the decompression. The angles of arrival (azimuth and elevation) were analyzed for selected distinct events. Comparisons of distances and azimuths of infrasound sources from the center of microbarometer array with lightning locations determined by the European Cooperation for Lighting Detection lightning detection network show that most of the selected events can be very likely associated with intracloud (IC) discharges. The preceding rapid changes of electrostatic field, their potential association with IC discharges, and high-elevation angles of arrival for near infrasound sources indicate that an electrostatic mechanism is probably responsible for their generation. It is discussed that distinguishing the relative role of thermal and electrostatic mechanism is difficult and that none of the published models of electrostatic production of infrasound thunder can explain the presented observations precisely. A modification of the current models, based on consideration of at least two charged layers, is suggested. Further theoretical and experimental investigations are however needed to get a better description of the generation mechanism.

Biochemical enhancement of transdermal delivery with magainin peptide: modification of electrostatic interactions by changing pH.

PubMed

Kim, Yeu-Chun; Late, Sameer; Banga, Ajay K; Ludovice, Peter J; Prausnitz, Mark R

2008-10-01

Magainin is a naturally occurring, pore-forming peptide that has recently been shown to increase skin permeability. This study tested the hypothesis that electrostatic forces between magainin peptides and drugs mediate drug transport across the skin. Electrostatic interaction between positively charged magainin and a negatively charged model drug, fluorescein, was attractive at pH 7.4 and resulted in a 35-fold increase in delivery across human epidermis in vitro when formulated with 2% N-lauroylsarcosine in 50% ethanol. Increasing to pH 10 or 11 largely neutralized magainin's charge, which eliminated enhancement due to magainin. Shielding electrostatic interactions with 1-2M NaCl solution similarly eliminated enhancement. Showing the opposite dependence on pH, electrostatic interaction between magainin and a positively charged anti-nausea drug, granisetron, was largely neutralized at pH 10 and resulted in a 92-fold increase in transdermal delivery. Decreasing to pH 5 increased magainin's positive charge, which repelled granisetron and progressively decreased transdermal flux. Circular dichroism analysis, multi-photon microscopy, and FTIR spectroscopy showed no significant pH effect on magainin secondary structure, magainin deposition in stratum corneum, or stratum corneum lipid order, respectively. We conclude that magainin increases transdermal delivery by a mechanism involving electrostatic interaction between magainin peptides and drugs.

Biochemical enhancement of transdermal delivery with magainin peptide: Modification of electrostatic interactions by changing pH

PubMed Central

Kim, Yeu-Chun; Late, Sameer; Banga, Ajay K.; Ludovice, Peter J.; Prausnitz, Mark R.

2008-01-01

Magainin is a naturally occurring, pore-forming peptide that has recently been shown to increase skin permeability. This study tested the hypothesis that electrostatic forces between magainin peptides and drugs mediate drug transport across the skin. Electrostatic interaction between positively charged magainin and a negatively charged model drug, fluorescein, was attractive at pH 7.4 and resulted in a 35 fold increase in delivery across human epidermis in vitro when formulated with 2% N-lauroylsarcosine in 50% ethanol. Increasing to pH 10 or 11 largely neutralized magainin’s charge, which eliminated enhancement due to magainin. Shielding electrostatic interactions with 1–2 M NaCl solution similarly eliminated enhancement. Showing the opposite dependence on pH, electrostatic interaction between magainin and a positively charged anti-nausea drug, granisetron, was largely neutralized at pH 10 and resulted in a 59 fold increase in transdermal delivery. Decreasing to pH 5 increased magainin’s positive charge, which repelled granisetron and progressively decreased transdermal flux. Circular dichroism analysis, multi-photon microscopy, and FTIR spectroscopy showed no significant pH effect on magainin secondary structure, magainin deposition in stratum corneum, or stratum corneum lipid order, respectively. We conclude that magainin increases transdermal delivery by a mechanism involving electrostatic interaction between magainin peptides and drugs. PMID:18601987

A view on thermodynamics of concentrated electrolytes: Modification necessity for electrostatic contribution of osmotic coefficient

NASA Astrophysics Data System (ADS)

Sahu, Jyoti; Juvekar, Vinay A.

2018-05-01

Prediction of the osmotic coefficient of concentrated electrolytes is needed in a wide variety of industrial applications. There is a need to correctly segregate the electrostatic contribution to osmotic coefficient from nonelectrostatic contribution. This is achieved in a rational way in this work. Using the Robinson-Stokes-Glueckauf hydrated ion model to predict non-electrostatic contribution to the osmotic coefficient, it is shown that hydration number should be independent of concentration so that the observed linear dependence of osmotic coefficient on electrolyte concentration in high concentration range could be predicted. The hydration number of several electrolytes (LiCl, NaCl, KCl, MgCl2, and MgSO4) has been estimated by this method. The hydration number predicted by this model shows correct dependence on temperature. It is also shown that the electrostatic contribution to osmotic coefficient is underpredicted by the Debye-Hückel theory at concentration beyond 0.1 m. The Debye-Hückel theory is modified by introducing a concentration dependent hydrated ionic size. Using the present analysis, it is possible to correctly estimate the electrostatic contribution to the osmotic coefficient, beyond the range of validation of the D-H theory. This would allow development of a more fundamental model for electrostatic interaction at high electrolyte concentrations.

The Poisson-Helmholtz-Boltzmann model.

PubMed

Bohinc, K; Shrestha, A; May, S

2011-10-01

We present a mean-field model of a one-component electrolyte solution where the mobile ions interact not only via Coulomb interactions but also through a repulsive non-electrostatic Yukawa potential. Our choice of the Yukawa potential represents a simple model for solvent-mediated interactions between ions. We employ a local formulation of the mean-field free energy through the use of two auxiliary potentials, an electrostatic and a non-electrostatic potential. Functional minimization of the mean-field free energy leads to two coupled local differential equations, the Poisson-Boltzmann equation and the Helmholtz-Boltzmann equation. Their boundary conditions account for the sources of both the electrostatic and non-electrostatic interactions on the surface of all macroions that reside in the solution. We analyze a specific example, two like-charged planar surfaces with their mobile counterions forming the electrolyte solution. For this system we calculate the pressure between the two surfaces, and we analyze its dependence on the strength of the Yukawa potential and on the non-electrostatic interactions of the mobile ions with the planar macroion surfaces. In addition, we demonstrate that our mean-field model is consistent with the contact theorem, and we outline its generalization to arbitrary interaction potentials through the use of a Laplace transformation. © EDP Sciences / Società Italiana di Fisica / Springer-Verlag 2011

Commissioning of the vacuum system of the KATRIN Main Spectrometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arenz, M.; Babutzka, M.; Bahr, M.

The KATRIN experiment will probe the neutrino mass by measuring the β-electron energy spectrum near the endpoint of tritium β-decay. We performed an integral energy analysis by an electro-static spectrometer (``Main Spectrometer''), an ultra-high vacuum vessel with a length of 23.2 m, a volume of 1240 m 3, and a complex inner electrode system with about 120 000 individual parts. The strong magnetic field that guides the β-electrons is provided by super-conducting solenoids at both ends of the spectrometer. Its influence on turbo-molecular pumps and vacuum gauges had to be considered. Furthermore, a system consisting of 6 turbo-molecular pumps andmore » 3 km of non-evaporable getter strips has been deployed and was tested during the commissioning of the spectrometer. In this paper the configuration, the commissioning with bake-out at 300 °C, and the performance of this system are presented in detail. The vacuum system has to maintain a pressure in the 10 -11 mbar range. We demonstrated that the performance of the system is already close to these stringent functional requirements for the KATRIN experiment, which will start at the end of 2016.« less

Analytical Debye-Huckel model for electrostatic potentials around dissolved DNA.

PubMed

Wagner, K; Keyes, E; Kephart, T W; Edwards, G

1997-07-01

We present an analytical, Green-function-based model for the electric potential of DNA in solution, treating the surrounding solvent with the Debye-Huckel approximation. The partial charge of each atom is accounted for by modeling DNA as linear distributions of atoms on concentric cylindrical surfaces. The condensed ions of the solvent are treated with the Debye-Huckel approximation. The resultant leading term of the potential is that of a continuous shielded line charge, and the higher order terms account for the helical structure. Within several angstroms of the surface there is sufficient information in the electric potential to distinguish features and symmetries of DNA. Plots of the potential and equipotential surfaces, dominated by the phosphate charges, reflect the structural differences between the A, B, and Z conformations and, to a smaller extent, the difference between base sequences. As the distances from the helices increase, the magnitudes of the potentials decrease. However, the bases and sugars account for a larger fraction of the double helix potential with increasing distance. We have found that when the solvent is treated with the Debye-Huckel approximation, the potential decays more rapidly in every direction from the surface than it did in the concentric dielectric cylinder approximation.

Majorana bound states from exceptional points in non-topological superconductors

PubMed Central

San-Jose, Pablo; Cayao, Jorge; Prada, Elsa; Aguado, Ramón

2016-01-01

Recent experimental efforts towards the detection of Majorana bound states have focused on creating the conditions for topological superconductivity. Here we demonstrate an alternative route, which achieves fully localised zero-energy Majorana bound states when a topologically trivial superconductor is strongly coupled to a helical normal region. Such a junction can be experimentally realised by e.g. proximitizing a finite section of a nanowire with spin-orbit coupling, and combining electrostatic depletion and a Zeeman field to drive the non-proximitized (normal) portion into a helical phase. Majorana zero modes emerge in such an open system without fine-tuning as a result of charge-conjugation symmetry, and can be ultimately linked to the existence of ‘exceptional points’ (EPs) in parameter space, where two quasibound Andreev levels bifurcate into two quasibound Majorana zero modes. After the EP, one of the latter becomes non-decaying as the junction approaches perfect Andreev reflection, thus resulting in a Majorana dark state (MDS) localised at the NS junction. We show that MDSs exhibit the full range of properties associated to conventional closed-system Majorana bound states (zero-energy, self-conjugation, 4π-Josephson effect and non-Abelian braiding statistics), while not requiring topological superconductivity. PMID:26865011

Radium-226 body burden in U miners by measurement of Rn in exhaled breath.

PubMed

Srivastava, G K; Raghavayya, M; Kotrappa, P; Somasundaram, S

1986-02-01

Uranium miners were made to inhale Rn-free medical O2 and exhale through a 5.2-1 A1 chamber before reporting to work. The chamber was sealed and isolated from the sampling circuit. An electrostatic plate collected the freshly formed Rn-decay products. The subsequent programmed alpha counting of the plate yielded a Rn concentration in the exhaled breath. Assuming that the exhaled breath represents a certain fraction of the Rn produced inside the body, the body burden of 226Ra was calculated. Standardisation of this procedure and the data collected on 310 miners are discussed. The procedure is simple and applicable for routine measurements. The miner needs to be in the laboratory for only 10 min. The system is also portable for field application. For routine use, the minimum detectable concentration is 3.87 Bq X m-3 which corresponds to a body burden of 0.26 kBq in a typical miner, if one assumes the Rn release fraction from the body as 84%. The system offers a more convenient and sensitive alternative to whole-body counting of workers for 226Ra.

Self-triggering readout system for the neutron lifetime experiment PENeLOPE

NASA Astrophysics Data System (ADS)

Gaisbauer, D.; Bai, Y.; Konorov, I.; Paul, S.; Steffen, D.

2016-02-01

PENeLOPE is a neutron lifetime measurement developed at the Technische Universität München and located at the Forschungs-Neutronenquelle Heinz Maier-Leibnitz (FRM II) aiming to achieve a precision of 0.1 seconds. The detector for PENeLOPE consists of about 1250 Avalanche Photodiodes (APDs) with a total active area of 1225 cm2. The decay proton detector and electronics will be operated at a high electrostatic potential of -30 kV and a magnetic field of 0.6 T. This includes shaper, preamplifier, ADC and FPGA cards. In addition, the APDs will be cooled to 77 K. The 1250 APDs are divided into 14 groups of 96 channels, including spares. A 12-bit ADC digitizes the detector signals with 1 MSps. A firmware was developed for the detector including a self-triggering readout with continuous pedestal calculation and configurable signal detection. The data transmission and configuration is done via the Switched Enabling Protocol (SEP). It is a time-division multiplexing low layer protocol which provides determined latency for time critical messages, IPBus, and JTAG interfaces. The network has a n:1 topology, reducing the number of optical links.

Nonlinear Electrostatic Properties of Lunar Dust

NASA Technical Reports Server (NTRS)

Irwin, Stacy A.

2012-01-01

A laboratory experiment was designed to study the induction charging and charge decay characteristics of small dielectric particles, or glass beads. Initially, the goal of the experiment was further understanding of induction charging of lunar dust particles. However, the mechanism of charging became a point of greater interest as the project continued. Within an environmentally-controlled acrylic glove box was placed a large parallel plate capacitor at high-voltage (HV) power supply with reversible polarity. Spherical 1-mm and 0.5-mm glass beads, singly, were placed between the plates, and their behaviors recorded on video and quantified. Nearly a hundred trials at various humidities were performed. The analysis of the results indicated a non-linear relationship between humidity and particle charge exchange time (CET), for both sizes of beads. Further, a difference in CET for top-resting beads and bottom-resting beads hinted at a different charging mechanism than that of simple induction. Results from the I-mm bead trials were presented at several space science and physics conferences in 2008 and 2009, and were published as a Master's thesis in August 2009. Tangential work stemming from this project resulted in presentations at other international conferences in 2010, and selection to attend workshop on granular matter flow 2011.

Measurements of dynamo electric field and momentum transport induced by fluctuations on HIST

NASA Astrophysics Data System (ADS)

Hirono, H.; Hanao, T.; Hyobu, T.; Ito, K.; Matsumoto, K.; Nakayama, T.; Kikuchi, Y.; Fukumoto, N.; Nagata, M.

2012-10-01

Coaxial Helicity injection (CHI) is an efficient current-drive method used in spheromak and spherical torus (ST) experiments. It is an important issue to investigate dynamo effect to explore CHI current drive mechanisms. To establish the dynamo model with two-fluid Hall effects, we verify the parallel mean-field Ohm's law balance. The spatial profiles of the MHD/Hall dynamo electric fields are measured by using Mach probe and Hall probe involving 3-axis magnetic pick-up coils. The MHD/Hall fluctuation-induced electromotive forces are large enough to sustain the mean toroidal current against the resistive decay. We have measured the electron temperature and the density with great accuracy by using a new electrostatic probe with voltage sweeping. The result shows that the electron temperature is high in the core region and low in the central open flux column (OFC), and the electron density is highest in the OFC region. The Hall dynamo becomes more dominant in a lower density region compared to the MHD dynamo. In addition, the fluctuation-induced Maxwell and Reynolds stresses are calculated to examine the fast radial transport of momentum from the OFC to the core region during the dynamo drive.

Commissioning of the vacuum system of the KATRIN Main Spectrometer

DOE PAGES

Arenz, M.; Babutzka, M.; Bahr, M.; ...

2016-04-07

The KATRIN experiment will probe the neutrino mass by measuring the β-electron energy spectrum near the endpoint of tritium β-decay. We performed an integral energy analysis by an electro-static spectrometer (``Main Spectrometer''), an ultra-high vacuum vessel with a length of 23.2 m, a volume of 1240 m 3, and a complex inner electrode system with about 120 000 individual parts. The strong magnetic field that guides the β-electrons is provided by super-conducting solenoids at both ends of the spectrometer. Its influence on turbo-molecular pumps and vacuum gauges had to be considered. Furthermore, a system consisting of 6 turbo-molecular pumps andmore » 3 km of non-evaporable getter strips has been deployed and was tested during the commissioning of the spectrometer. In this paper the configuration, the commissioning with bake-out at 300 °C, and the performance of this system are presented in detail. The vacuum system has to maintain a pressure in the 10 -11 mbar range. We demonstrated that the performance of the system is already close to these stringent functional requirements for the KATRIN experiment, which will start at the end of 2016.« less

Electrical Engineering in Los Alamos Neutron Science Center Accelerator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Silva, Michael James

The field of electrical engineering plays a significant role in particle accelerator design and operations. Los Alamos National Laboratories LANSCE facility utilizes the electrical energy concepts of power distribution, plasma generation, radio frequency energy, electrostatic acceleration, signals and diagnostics. The culmination of these fields produces a machine of incredible potential with uses such as isotope production, neutron spallation, neutron imaging and particle analysis. The key isotope produced in LANSCE isotope production facility is Strontium-82 which is utilized for medical uses such as cancer treatment and positron emission tomography also known as PET scans. Neutron spallation is one of the verymore » few methods used to produce neutrons for scientific research the other methods are natural decay of transuranic elements from nuclear reactors. Accelerator produce neutrons by accelerating charged particles into neutron dense elements such as tungsten imparting a neutral particle with kinetic energy, this has the benefit of producing a large number of neutrons as well as minimizing the waste generated. Utilizing the accelerator scientist can gain an understanding of how various particles behave and interact with matter to better understand the natural laws of physics and the universe around us.« less

A Water Dissolvable Electrolyte with an Ionic Liquid for Eco-Friendly Electronics.

PubMed

Yamada, Shunsuke; Toshiyoshi, Hiroshi

2018-06-21

A water-dissolvable electrolyte is developed by combining an ionic liquid (IL) with poly(vinyl alcohol) (PVA), which decays over time by contact with water. An IL generally consists of two species of ions (anion and cation), and forms an electrical double layer (EDL) of a large electrostatic capacitance due to the ions accumulated in the vicinity of a conductive electrode when voltage is applied. In a similar manner, the ionic gel developed in this work forms an EDL due to the ions suspended in the conjugated polymer network while maintaining the gel form. Test measurements show a large capacitance of 13 µF cm -2 within the potential window of the IL. The ionic gel shows an electrical conductance of 20 µS cm -1 due to the ionic conduction, which depends on the weight ratio of the IL with respect to the polymer. The developed ionic gel dissolves into water in 16 h. Potential application includes the electrolyte in disposable electronics such as distributed sensors and energy harvesters that are supposed to be harmless to environment. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A new technique for high performance tandem time-of- flight mass spectrometry

NASA Astrophysics Data System (ADS)

Katz, Daniel Louis

2001-08-01

The main result of this written dissertation is a mathematical solution to the problem of multiplex recording for high performance tandem time-of-flight mass spectrometry. The prescription is to use a time-lag accelerator in the second stage to match the ion optical properties of the decay fragments to the requirements of the electrostatic ion mirror. With this technique the ion mirror is able to focus the full mass range of fragment ions at a single voltage setting, permitting acquisition of the entire mass spectrum from a single ionization event. This work was performed in support of a joint project carried out by researchers at Oregon State University and The University of Uppsala, Sweden, to design, build and test a tandem instrument featuring precision selection of the precursor species in the first stage of the spectrometer, a means of fragmenting the precursor species, and multiplex recording of the resulting fragment spectrum in the second stage. A patent application has been filed on the complete instrument with the United States Patent Office, a copy of which has been included as an appendix, and a prototype of that instrument has been constructed and awaits testing at Oregon State University.

Cpmmw Spectroscopy of Rydberg States of Nitric Oxide

NASA Astrophysics Data System (ADS)

Barnum, Timothy J.; Saladrigas, Catherine A.; Grimes, David; Coy, Stephen; Eyler, Edward E.; Field, Robert W.

2016-06-01

The spectroscopy of Rydberg states of NO has a long history [1], stimulating both experimental and theoretical advances in our understanding of Rydberg structure and dynamics. The closed-shell ion-core (1Σ+) and small NO+ dipole moment result in regular patterns of Rydberg series in the Hund's case (d) limit, which are well-described by long-range electrostatic models (e.g., [2]). We will present preliminary data on the core-nonpenetrating Rydberg states of NO (orbital angular momentum, ℓ ≥ 3) collected by chirped-pulse millimeter-wave (CPmmW) spectroscopy. Our technique directly detects electronic free induction decay (FID) between Rydberg states with Δn* ≈ 1 in the region of n* ˜ 40-50, providing a large quantity (12 GHz bandwidth in a single shot) of high quality (resolution ˜ 350 kHz) spectra. Transitions between high-ℓ, core-nonpenetrating Rydberg states act as reporters on the subtle details of the ion-core electric structure. * * [1] Huber KP. Die Rydberg-Serien im Absorptions-spektrum des NO-Molekuuls. Helv. Phys. Acta 3, 929 (1961). * * [2] Biernacki DT, Colson SD, Eyler EE. Rotationally resolved double resonance spectra of NO Rydberg states near the first ionization limit. J. Chem. Phys. 88, 2099 (1988).

Plasma waves associated with the AMPTE artificial comet

NASA Technical Reports Server (NTRS)

Gurnett, D. A.; Anderson, R. R.; Haeusler, B.; Haerendel, G.; Bauer, O. H.

1985-01-01

Numerous plasma wave effects were detected by the AMPTE/IRM spacecraft during the artificial comet experiment on December 27, 1984. As the barium ion cloud produced by the explosion expanded over the spacecraft, emissions at the electron plasma frequency and ion plasma frequency provided a determination of the local electron density. The electron density in the diamagnetic cavity produced by the ion cloud reached a peak of more than 5 x 10 to the 5th per cu cm, then decayed smoothly as the cloud expanded, varying approximately as t exp-2. As the cloud began to move due to interactions with the solar wind, a region of compressed plasma was encountered on the upstream side of the diamagnetic cavity. The peak electron density in the compression region was about 1.5 x 10 to the 4th per cu cm. Later, a very intense (140 mVolt/m) broadband burst of electrostatic noise was encountered on the sunward side of the compression region. This noise has characteristics very similar to noise observed in the earth's bow shock, and is believed to be a shocklike interaction produced by an ion beam-plasma instability between the nearly stationary barium ions and the streaming solar wind protons.

A master equation for strongly interacting dipoles

NASA Astrophysics Data System (ADS)

Stokes, Adam; Nazir, Ahsan

2018-04-01

We consider a pair of dipoles such as Rydberg atoms for which direct electrostatic dipole–dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us to include the inter-dipole Coulomb energy within the system Hamiltonian rather than the interaction. In contrast, the standard master equation for a two-dipole system, which depends entirely on well-known gauge-invariant S-matrix elements, is usually derived using the multipolar gauge, wherein there is no explicit inter-dipole Coulomb interaction. We show using a generalised arbitrary-gauge light-matter Hamiltonian that this master equation is obtained in other gauges only if the inter-dipole Coulomb interaction is kept within the interaction Hamiltonian rather than the unperturbed part as in our derivation. Thus, our master equation depends on different S-matrix elements, which give separation-dependent corrections to the standard matrix elements describing resonant energy transfer and collective decay. The two master equations coincide in the large separation limit where static couplings are negligible. We provide an application of our master equation by finding separation-dependent corrections to the natural emission spectrum of the two-dipole system.

The MR-TOF-MS isobar separator for the TITAN facility at TRIUMF

NASA Astrophysics Data System (ADS)

Jesch, Christian; Dickel, Timo; Plaß, Wolfgang R.; Short, Devin; Ayet San Andres, Samuel; Dilling, Jens; Geissel, Hans; Greiner, Florian; Lang, Johannes; Leach, Kyle G.; Lippert, Wayne; Scheidenberger, Christoph; Yavor, Mikhail I.

2015-11-01

At TRIUMF's Ion Trap for Atomic and Nuclear Science (TITAN) a multiple-reflection time-of-flight mass spectrometer (MR-TOF-MS) will extend TITAN's capabilities and facilitate mass measurements and in-trap decay spectroscopy of exotic nuclei that so far have not been possible due to strong isobaric contamination. This MR-TOF-MS will also enable mass measurements of very short-lived nuclides (half-life > 1 ms) that are produced in very low quantities (a few detected ions overall). In order to allow the installation of an MR-TOF-MS in the restricted space on the platform, on which the TITAN facility is located, novel mass spectrometric methods have been developed. Transport, cooling and distribution of the ions inside the device is done using a buffer gas-filled RFQ-based ion beam switchyard. Mass selection is achieved using a dynamic retrapping technique after time-of-flight analysis in an electrostatic isochronous reflector system. Only due to the combination of these novel methods the realization of an MR-TOF-MS based isobar separator at TITAN has become possible. The device has been built, commissioned off-line and is currently under installation at TITAN.

Nonlinear behaviour of cantilevered carbon nanotube resonators based on a new nonlinear electrostatic load model

NASA Astrophysics Data System (ADS)

Farokhi, Hamed; Païdoussis, Michael P.; Misra, Arun K.

2018-04-01

The present study examines the nonlinear behaviour of a cantilevered carbon nanotube (CNT) resonator and its mass detection sensitivity, employing a new nonlinear electrostatic load model. More specifically, a 3D finite element model is developed in order to obtain the electrostatic load distribution on cantilevered CNT resonators. A new nonlinear electrostatic load model is then proposed accounting for the end effects due to finite length. Additionally, a new nonlinear size-dependent continuum model is developed for the cantilevered CNT resonator, employing the modified couple stress theory (to account for size-effects) together with the Kelvin-Voigt model (to account for nonlinear damping); the size-dependent model takes into account all sources of nonlinearity, i.e. geometrical and inertial nonlinearities as well as nonlinearities associated with damping, small-scale, and electrostatic load. The nonlinear equation of motion of the cantilevered CNT resonator is obtained based on the new models developed for the CNT resonator and the electrostatic load. The Galerkin method is then applied to the nonlinear equation of motion, resulting in a set of nonlinear ordinary differential equations, consisting of geometrical, inertial, electrical, damping, and size-dependent nonlinear terms. This high-dimensional nonlinear discretized model is solved numerically utilizing the pseudo-arclength continuation technique. The nonlinear static and dynamic responses of the system are examined for various cases, investigating the effect of DC and AC voltages, length-scale parameter, nonlinear damping, and electrostatic load. Moreover, the mass detection sensitivity of the system is examined for possible application of the CNT resonator as a nanosensor.

A "Reverse-Schur" Approach to Optimization With Linear PDE Constraints: Application to Biomolecule Analysis and Design.

PubMed

Bardhan, Jaydeep P; Altman, Michael D; Tidor, B; White, Jacob K

2009-01-01

We present a partial-differential-equation (PDE)-constrained approach for optimizing a molecule's electrostatic interactions with a target molecule. The approach, which we call reverse-Schur co-optimization, can be more than two orders of magnitude faster than the traditional approach to electrostatic optimization. The efficiency of the co-optimization approach may enhance the value of electrostatic optimization for ligand-design efforts-in such projects, it is often desirable to screen many candidate ligands for their viability, and the optimization of electrostatic interactions can improve ligand binding affinity and specificity. The theoretical basis for electrostatic optimization derives from linear-response theory, most commonly continuum models, and simple assumptions about molecular binding processes. Although the theory has been used successfully to study a wide variety of molecular binding events, its implications have not yet been fully explored, in part due to the computational expense associated with the optimization. The co-optimization algorithm achieves improved performance by solving the optimization and electrostatic simulation problems simultaneously, and is applicable to both unconstrained and constrained optimization problems. Reverse-Schur co-optimization resembles other well-known techniques for solving optimization problems with PDE constraints. Model problems as well as realistic examples validate the reverse-Schur method, and demonstrate that our technique and alternative PDE-constrained methods scale very favorably compared to the standard approach. Regularization, which ordinarily requires an explicit representation of the objective function, can be included using an approximate Hessian calculated using the new BIBEE/P (boundary-integral-based electrostatics estimation by preconditioning) method.

A “Reverse-Schur” Approach to Optimization With Linear PDE Constraints: Application to Biomolecule Analysis and Design

PubMed Central

Bardhan, Jaydeep P.; Altman, Michael D.

2009-01-01

We present a partial-differential-equation (PDE)-constrained approach for optimizing a molecule’s electrostatic interactions with a target molecule. The approach, which we call reverse-Schur co-optimization, can be more than two orders of magnitude faster than the traditional approach to electrostatic optimization. The efficiency of the co-optimization approach may enhance the value of electrostatic optimization for ligand-design efforts–in such projects, it is often desirable to screen many candidate ligands for their viability, and the optimization of electrostatic interactions can improve ligand binding affinity and specificity. The theoretical basis for electrostatic optimization derives from linear-response theory, most commonly continuum models, and simple assumptions about molecular binding processes. Although the theory has been used successfully to study a wide variety of molecular binding events, its implications have not yet been fully explored, in part due to the computational expense associated with the optimization. The co-optimization algorithm achieves improved performance by solving the optimization and electrostatic simulation problems simultaneously, and is applicable to both unconstrained and constrained optimization problems. Reverse-Schur co-optimization resembles other well-known techniques for solving optimization problems with PDE constraints. Model problems as well as realistic examples validate the reverse-Schur method, and demonstrate that our technique and alternative PDE-constrained methods scale very favorably compared to the standard approach. Regularization, which ordinarily requires an explicit representation of the objective function, can be included using an approximate Hessian calculated using the new BIBEE/P (boundary-integral-based electrostatics estimation by preconditioning) method. PMID:23055839

Influence of ionic strength and surfactant concentration on electrostatic surfacial assembly of cetyltrimethylammonium bromide-capped gold nanorods on fully immersed glass.

PubMed

Ferhan, Abdul Rahim; Guo, Longhua; Kim, Dong-Hwan

2010-07-20

The effect of ionic strength as well as surfactant concentration on the surface assembly of cetyltrimethylammonium bromide (CTAB)-capped gold nanorods (GNRs) has been studied. Glass substrates were modified to yield a net negative charge through electrostatic coating of polystyrenesulfonate (PSS) over a self-assembled monolayer (SAM) of positively charged aminopropyltriethoxysilane (APTS). The substrates were then fully immersed in GNR solutions at different CTAB concentrations and ionic strengths. Under slightly excess CTAB concentrations, it was observed that the density of GNRs immobilized on a substrate was predictably tunable through the adjustment of NaCl concentration over a wide range. Motivated by the experimental observation, we hypothesize that electrostatic shielding of charges around the GNRs affects the density of GNR immobilization. This model ultimately explains that at moderate to high CTAB concentrations a second electrostatic shielding effect contributed by excess CTAB molecules occurs, resulting in a parabolic trend of nanorod surface density when ionic strength is continually increased. In contrast, at a low CTAB concentration, the effect of ionic strength becomes much less significant due to insufficient CTAB molecules to provide for the second electrostatic shielding effect. The tunability of electrostatic-based surface assembly of GNRs enables the attainment of a dense surface assembly of nanorods without significant removal of CTAB or any other substituted stabilizing agent, both of which could compromise the stability and morphology of GNRs in solution. An additional study performed to investigate the robustness of such electrostatic-based surface assembly also proved its reliability to be used as biosensing platforms.

Electrostatics of aquaporin and aquaglyceroporin channels correlates with their transport selectivity

PubMed Central

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

Efficiency determination of an electrostatic lunar dust collector by discrete element method

NASA Astrophysics Data System (ADS)

Afshar-Mohajer, Nima; Wu, Chang-Yu; Sorloaica-Hickman, Nicoleta

2012-07-01

Lunar grains become charged by the sun's radiation in the tenuous atmosphere of the moon. This leads to lunar dust levitation and particle deposition which often create serious problems in the costly system deployed in lunar exploration. In this study, an electrostatic lunar dust collector (ELDC) is proposed to address the issue and the discrete element method (DEM) is used to investigate the effects of electrical particle-particle interactions, non-uniformity of the electrostatic field, and characteristics of the ELDC. The simulations on 20-μm-sized lunar particles reveal the electrical particle-particle interactions of the dust particles within the ELDC plates require 29% higher electrostatic field strength than that without the interactions for 100% collection efficiency. For the given ELDC geometry, consideration of non-uniformity of the electrostatic field along with electrical interactions between particles on the same ELDC geometry leads to a higher requirement of ˜3.5 kV/m to ensure 100% particle collection. Notably, such an electrostatic field is about 103 times less than required for electrodynamic self-cleaning methods. Finally, it is shown for a "half-size" system that the DEM model predicts greater collection efficiency than the Eulerian-based model at all voltages less than required for 100% efficiency. Halving the ELDC dimensions boosts the particle concentration inside the ELDC, as well as the resulting field strength for a given voltage. Though a lunar photovoltaic system was the subject, the results of this study are useful for evaluation of any system for collecting charged particles in other high vacuum environment using an electrostatic field.

Electrostatic effects in unfolded staphylococcal nuclease

PubMed Central

Fitzkee, Nicholas C.; García-Moreno E, Bertrand

2008-01-01

Structure-based calculations of pK a values and electrostatic free energies of proteins assume that electrostatic effects in the unfolded state are negligible. In light of experimental evidence showing that this assumption is invalid for many proteins, and with increasing awareness that the unfolded state is more structured and compact than previously thought, a detailed examination of electrostatic effects in unfolded proteins is warranted. Here we address this issue with structure-based calculations of electrostatic interactions in unfolded staphylococcal nuclease. The approach involves the generation of ensembles of structures representing the unfolded state, and calculation of Coulomb energies to Boltzmann weight the unfolded state ensembles. Four different structural models of the unfolded state were tested. Experimental proton binding data measured with a variant of nuclease that is unfolded under native conditions were used to establish the validity of the calculations. These calculations suggest that weak Coulomb interactions are an unavoidable property of unfolded proteins. At neutral pH, the interactions are too weak to organize the unfolded state; however, at extreme pH values, where the protein has a significant net charge, the combined action of a large number of weak repulsive interactions can lead to the expansion of the unfolded state. The calculated pK a values of ionizable groups in the unfolded state are similar but not identical to the values in small peptides in water. These studies suggest that the accuracy of structure-based calculations of electrostatic contributions to stability cannot be improved unless electrostatic effects in the unfolded state are calculated explicitly. PMID:18227429

Ionizable Nitroxides for Studying Local Electrostatic Properties of Lipid Bilayers and Protein Systems by EPR

PubMed Central

Voinov, Maxim A.; Smirnov, Alex I.

2016-01-01

Electrostatic interactions are known to play one of the major roles in the myriad of biochemical and biophysical processes. In this Chapter we describe biophysical methods to probe local electrostatic potentials of proteins and lipid bilayer systems that is based on an observation of reversible protonation of nitroxides by EPR. Two types of the electrostatic probes are discussed. The first one includes methanethiosulfonate derivatives of protonatable nitroxides that could be used for highly specific covalent modification of the cysteine’s sulfhydryl groups. Such spin labels are very similar in magnetic parameters and chemical properties to conventional MTSL making them suitable for studying local electrostatic properties of protein-lipid interfaces. The second type of EPR probes is designed as spin-labeled phospholipids having a protonatable nitroxide tethered to the polar head group. The probes of both types report on their ionization state through changes in magnetic parameters and a degree of rotational averaging, thus, allowing one to determine the electrostatic contribution to the interfacial pKa of the nitroxide, and, therefore, determining the local electrostatic potential. Due to their small molecular volume these probes cause a minimal perturbation to the protein or lipid system while covalent attachment secure the position of the reporter nitroxides. Experimental procedures to characterize and calibrate these probes by EPR and also the methods to analyze the EPR spectra by least-squares simulations are also outlined. The ionizable nitroxide labels and the nitroxide-labeled phospholipids described so far cover an exceptionally wide pH range from ca. 2.5 to 7.0 pH units making them suitable to study a broad range of biophysical phenomena especially at the negatively charged lipid bilayer surfaces. The rationale for selecting proper electrostatically neutral interface for calibrating such probes and example of studying surface potential of lipid bilayer is also described. PMID:26477252

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

NASA Astrophysics Data System (ADS)

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.

Direct analysis of large living organism by megavolt electrostatic ionization mass spectrometry.

PubMed

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.

Anomalous Ground State of the Electrons in Nano-confined Water

DTIC Science & Technology

2016-06-13

confined water system, Nafion, is so different from that of bulk water that the weakly electrostatically interacting molecule model of water is clearly...assume that water is made up molecules weakly interacting(on the scale of the zero point bond energy~.2eV) electrostatically with its neighbors2-3. In an...not possible for a collection of molecules interacting weakly electrostatically . These changes in the spatial distribution of valence electrons in

The insulation of copper wire by the electrostatic coating process

NASA Astrophysics Data System (ADS)

Wells, M. G. H.

1983-06-01

A review of the fluidized bed electrostatic coating process and materials available for application to flat copper conductor has been made. Lengths of wire were rolled and electrostatically coated with two epoxy insulations. Electrical tests were made in air on coated samples at room and elevated temperatures. Compatibility tests in the cooling/lubricating turbine oil at temperatures up to 220 deg. C were also made. Recommendations for additional work are provided.

Controlling the Electrostatic Discharge Ignition Sensitivity of Composite Energetic Materials Using Carbon Nanotube Additives

DTIC Science & Technology

2014-08-10

Electrostatic discharge Ignition Aluminum Thermites Energetic materials a b s t r a c t Powder energetic materials are highly sensitive to electrostatic...Fundamentals, in: Heat Conduction, Wiley, Hoboken, NJ, 2012. [12] Davin G. Piercey, Thomas M. Klapotke, Nanoscale aluminum metal oxide ( thermite ) reactions for...propagation velocity in thermites with a nanoscale oxidizer, Propellants Explos. Pyrotechn. 39 (3) (2014) 407 415. [18] Kevin Moore, Michelle L

Miniature Electrostatic Ion Thruster With Magnet

NASA Technical Reports Server (NTRS)

Hartley, Frank T.

2006-01-01

A miniature electrostatic ion thruster is proposed that, with one exception, would be based on the same principles as those of the device described in the previous article, "Miniature Bipolar Electrostatic Ion Thruster". The exceptional feature of this thruster would be that, in addition to using electric fields for linear acceleration of ions and electrons, it would use a magnetic field to rotationally accelerate slow electrons into the ion stream to neutralize the ions.

Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties

NASA Technical Reports Server (NTRS)

Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.

1992-01-01

The quality of several atomic charge models based on different definitions has been analyzed using cumulative atomic multipole moments (CAMM). This formalism can generate higher atomic moments starting from any atomic charges, while preserving the corresponding molecular moments. The atomic charge contribution to the higher molecular moments, as well as to the electrostatic potentials, has been examined for CO and HCN molecules at several different levels of theory. The results clearly show that the electrostatic potential obtained from CAMM expansion is convergent up to R-5 term for all atomic charge models used. This illustrates that higher atomic moments can be used to supplement any atomic charge model to obtain more accurate description of electrostatic properties.

Electrostatic complementarity between proteins and ligands. 1. Charge disposition, dielectric and interface effects

NASA Astrophysics Data System (ADS)

Chau, P.-L.; Dean, P. M.

1994-10-01

Electrostatic interactions have always been considered an important factor governing ligand-receptor interactions. Previous work in this field has established the existence of electrostatic complementarity between the ligand and its receptor site. However, this property has not been treated rigorously, and the description remains largely qualitative. In this work, 34 data sets of high quality were chosen from the Brookhaven Protein Databank. The electrostatic complementarity has been calculated between the surface potentials; complementarity is absent between adjacent or neighbouring atoms of the ligand and the receptor. There is little difference between complementarities on the total ligand surface and the interfacial region. Altering the homogeneous dielectric to distance-dependent dielectrics reduces the complementarity slightly, but does not affect the pattern of complementarity.

Electrostatic complementarity between proteins and ligands. 1. Charge disposition, dielectric and interface effects.

PubMed

Chau, P L; Dean, P M

1994-10-01

Electrostatic interactions have always been considered an important factor governing ligand-receptor interactions. Previous work in this field has established the existence of electrostatic complementarity between the ligand and its receptor site. However, this property has not been treated rigorously, and the description remains largely qualitative. In this work, 34 data sets of high quality were chosen from the Brookhaven Protein Databank. The electrostatic complementary has been calculated between the surface potentials; complementarity is absent between adjacent or neighbouring atoms of the ligand and the receptor. There is little difference between complementarities on the total ligand surface and the interfacial region. Altering the homogeneous dielectric to distance-dependent dielectrics reduces the complementarity slightly, but does not affect the pattern of complementarity.

Physical and chemical test results of electrostatic safe flooring materials

NASA Technical Reports Server (NTRS)

Gompf, R. H.

1988-01-01

This test program was initiated because a need existed at the Kennedy Space Center (KSC) to have this information readily available to the engineer who must make the choice of which electrostatic safe floor to use in a specific application. The information, however, should be of value throughout both the government and private industry in the selection of a floor covering material. Included are the test results of 18 floor covering materials which by test evaluation at KSC are considered electrostatically safe. Tests were done and/or the data compiled in the following areas: electrostatics, flammability, hypergolic compatibility, outgassing, floor type, material thickness, and available colors. Each section contains the test method used to gather the data and the test results.

Electrostatic Model Applied to ISS Charged Water Droplet Experiment

NASA Technical Reports Server (NTRS)

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 lower hybrid waves excited by electromagnetic whistler mode waves scattering from planar magnetic-field-aligned plasma density irregularities

NASA Technical Reports Server (NTRS)

Bell, T. F.; Ngo, H. D.

1990-01-01

This paper presents a theoretical model for electrostatic lower hybrid waves excited by electromagnetic whistler mode waves propagating in regions of the magnetosphere and the topside ionosphere, where small-scale magnetic-field-aligned plasma density irregularities are thought to exist. In this model, the electrostatic waves are excited by linear mode coupling as the incident electromagnetic whistler mode waves scatter from the magnetic-field-aligned plasma density irregularities. Results indicate that high-amplitude short-wavelength (5 to 100 m) quasi-electrostatic whistler mode waves can be excited when electromagnetic whistler mode waves scatter from small-scale planar magnetic-field-aligned plasma density irregularities in the topside ionosphere and magnetosphere.

Simulation of Aluminum Micro-mirrors for Space Applications at Cryogenic Temperatures

NASA Technical Reports Server (NTRS)

Kuhn, J. L.; Dutta, S. B.; Greenhouse, M. A.; Mott, D. B.

2000-01-01

Closed form and finite element models are developed to predict the device response of aluminum electrostatic torsion micro-mirrors fabricated on silicon substrate for space applications at operating temperatures of 30K. Initially, closed form expressions for electrostatic pressure arid mechanical restoring torque are used to predict the pull-in and release voltages at room temperature. Subsequently, a detailed mechanical finite element model is developed to predict stresses and vertical beam deflection induced by the electrostatic and thermal loads. An incremental and iterative solution method is used in conjunction with the nonlinear finite element model and closed form electrostatic equations to solve. the coupled electro-thermo-mechanical problem. The simulation results are compared with experimental measurements at room temperature of fabricated micro-mirror devices.

Electrostatic powder coating: Principles and pharmaceutical applications.

PubMed

Prasad, Leena Kumari; McGinity, James W; Williams, Robert O

2016-05-30

A majority of pharmaceutical powders are insulating materials that have a tendency to accumulate charge. This phenomenon has contributed to safety hazards and issues during powder handling and processing. However, increased understanding of this occurrence has led to greater understanding and control of processing and product performance. More recently, the charging of pharmaceutical powders has been employed to adopt electrostatic powder coating as a pharmaceutical process. Electrostatic powder coating is a mature technology used in the finishing industry and much of that knowledge applies to its use in pharmaceutical applications. This review will serve to summarize the principles of electrostatic powder coating and highlight some of the research conducted on its use for the preparation of pharmaceutical dosage forms. Copyright © 2016 Elsevier B.V. All rights reserved.

Computation of Static Shapes and Voltages for Micromachined Deformable Mirrors with Nonlinear Electrostatic Actuators

NASA Technical Reports Server (NTRS)

Wang, P. K. C.; Hadaegh, F. Y.

1996-01-01

In modeling micromachined deformable mirrors with electrostatic actuators whose gap spacings are of the same order of magnitude as those of the surface deformations, it is necessary to use nonlinear models for the actuators. In this paper, we consider micromachined deformable mirrors modeled by a membrane or plate equation with nonlinear electrostatic actuator characteristics. Numerical methods for computing the mirror deformation due to given actuator voltages and the actuator voltages required for producing the desired deformations at the actuator locations are presented. The application of the proposed methods to circular deformable mirrors whose surfaces are modeled by elastic membranes is discussed in detail. Numerical results are obtained for a typical circular micromachined mirror with electrostatic actuators.

Modeling salt-mediated electrostatics of macromolecules: the discrete surface charge optimization algorithm and its application to the nucleosome.

PubMed

Beard, D A; Schlick, T

2001-01-01

Much progress has been achieved on quantitative assessment of electrostatic interactions on the all-atom level by molecular mechanics and dynamics, as well as on the macroscopic level by models of continuum solvation. Bridging of the two representations-an area of active research-is necessary for studying integrated functions of large systems of biological importance. Following perspectives of both discrete (N-body) interaction and continuum solvation, we present a new algorithm, DiSCO (Discrete Surface Charge Optimization), for economically describing the electrostatic field predicted by Poisson-Boltzmann theory using a discrete set of Debye-Hückel charges distributed on a virtual surface enclosing the macromolecule. The procedure in DiSCO relies on the linear behavior of the Poisson-Boltzmann equation in the far zone; thus contributions from a number of molecules may be superimposed, and the electrostatic potential, or equivalently the electrostatic field, may be quickly and efficiently approximated by the summation of contributions from the set of charges. The desired accuracy of this approximation is achieved by minimizing the difference between the Poisson-Boltzmann electrostatic field and that produced by the linearized Debye-Hückel approximation using our truncated Newton optimization package. DiSCO is applied here to describe the salt-dependent electrostatic environment of the nucleosome core particle in terms of several hundred surface charges. This representation forms the basis for modeling-by dynamic simulations (or Monte Carlo)-the folding of chromatin. DiSCO can be applied more generally to many macromolecular systems whose size and complexity warrant a model resolution between the all-atom and macroscopic levels. Copyright 2000 John Wiley & Sons, Inc.

A teaching proposal on electrostatics based on the history of science through the reading of historical texts and argumentative discussions

NASA Astrophysics Data System (ADS)

Castells, Marina; Konstantinidou, Aikaterini; Cerveró, Josep M.

2016-05-01

Researches on electrostatics' conceptions found that students have ideas and conceptions that disagree with the scientific models and that might explain students' learning difficulties. To favour the change of student's ideas and conceptions, a teaching sequence that relies on a historical study of electrostatics is proposed. It begins with an exploration of electrostatics phenomena that students would do with everyday materials. About these phenomena they must draw their own explanations that will be shared and discussed in the class. The teacher will collect and summarize the ideas and explanations which are nearer the history of science. A brief history of electrostatics is introduced then, and some texts from scientists are used in an activity role-play-debate type in which the "supporters of a single fluid" and "supporters of two fluids" have to present arguments for their model and/or against the other model to explain the phenomena observed in the exploration phase. In the following, students will read texts related to science applications, the main aim of this activity is to relate electrostatics phenomena with current electricity. The first text explains how Franklin understood the nature of the lightning and the lightning rod and the second is a chapter of a roman about one historical episode situated in the Barcelona of the XVIII Century. Students will use the historical models of one and of two fluids to explain these two phenomena, and will compare them with the scientific explanation of the "accepted" science of nowadays introduced by the teacher. With this type of teaching proposal, conceptual aspect of electrostatics will be learnt, but also the students will learn about the nature and history of science and culture, as well as about the practice of argumentation.

Inter-subunit electrostatic interactions in ferritin molecule: comparison with inter-molecular interactions in crystals

NASA Astrophysics Data System (ADS)

Takahashi, Takuya; Hogyoku, Michiru; Nagayama, Kuniaki

1996-10-01

We evaluated the contribution of electrostatic interactions to the stability of macromolecular assembly in a horse L ferritin molecule composed of 24 subunits and the three-dimensional crystal of the ferritin molecules with numerical calculation of Poisson-Boltzmann equation based on dielectric model. The calculation showed that the electrostatic energy both favors the assembly of the 24 subunits and the crystalline assembly of the ferritin molecules (i.e., 24-mers). Short-range interactions less than 5 Å such as salt bridges and hydrogen bonds were important for both the subunit assembly and the crystalline assembly. To elucidate the strong stabilization by electrostatic interactions in both the ferritin 24-mer and its crystal, we analyzed the contribution of individual atoms. It revealed that the stabilization was arising from buried salt bridges or hydrogen bonds, which yielded more than 5 kcal/mol in some interactions. These large electrostatic stabilization and also the unexpected small ionic strength dependence was different from those of bovine pancreatic trypsin inhibitor (BPTI) orthorhombic and pig-insulin cubic crystals previously calculated. We also evaluated changes of the accessible surface area (ASA) and hydration free energy in accordance with the process of the subunit assembly. The change of hydration free energy, which was very large (i.e. ˜ + 100 kcal/mol/subunit) and unfavorable for the assembly, was proportional to the electrostatic hydration energy (i.e. Born energy change in hydration process). Hydrophobic groups were likely to appear more frequently than hydrophilic groups at the subunit interfaces. These results suggest that the molecular structure of the ferritin 24-mer and the crystal structure of the 24-mers were both stabilized by local electrostatic interactions, in particular. We view protein crystals as an extension of the protein oligomer to an infinite number of subunits association.

Experimental study of electrostatic discharges of spacecraft solar array protective coatings under radiation

NASA Astrophysics Data System (ADS)

Khasanshin, Rashid; Novikov, Lev

Action of charged particles on low-conductive dielectrics causes formation of areas with a high charge density inside; their fields may give rise to development of electrostatic discharge between the charged area and the surface of the dielectric. Discharge channels are growing due to breakdown of dielectric and formation of a conducting phase. Generation of the channels is a complex stochastic process accompanied by such physical and chemical processes as ionization, gas formation, heating, and so on, which cause formation of conducting phase in a glass. That is why no quantitative theory describing formation of conductive channels has been formulated yet. The study of electrostatic discharges in dielectrics under radiation is essential both from a scientific point of view and for the solution of applied problems. In particular, interaction of a spacecraft with ambient plasma causes accumulation of electric charges on its surface producing, as a consequence, electric potential between the spacecraft surface and the plasma. For example, potentials on the surface of satellites operating on a geostationary orbit reach up to 20 kV. Elec-trostatic discharges caused by such potentials can produce not only the considerable electromag-netic interference, but also lead to the destruction of hardware components and structural ele-ments. Electrostatic charging due to electrons from the Earth’s radiation belts causes degradation of solar arrays as a result of surface and internal electrostatic discharges. In the work, surface of K-208 spacecraft solar array protective coatings irradiated by 20 and 40 keV electrons and protons has studied using by AFM methods. Traces of electrostatic dis-charges at different radiation flux densities were analyzed.

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

NASA Astrophysics Data System (ADS)

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.

Searching for possible effects on midlatitude sporadic E layer, caused by tropospheric lightning.

NASA Astrophysics Data System (ADS)

Barta, Veronika; Haldoupis, Christos; Sátori, Gabriella; Buresova, Dalia

2016-07-01

Thunderstorms in the troposphere may affect the overlying ionosphere through electrodynamic and/or neutral atmosphere wave coupling processes. For example, it is well known that lightning discharges may impact upper atmosphere through quasi-electrostatic fields and strong electromagnetic pulses, leading to transient luminous phenomena, such as sprites and elves, along with electron heating and ionization changes in the upper D and lower E-region ionosphere that have been detected in VLF transmissions propagating in the earth-ionosphere waveguide. On the other hand, mechanical coupling between the troposphere and the ionosphere may be caused by neutral atmosphere gravity waves which are known to have their origin in massive thunderstorms. The effects of troposphere-ionosphere coupling during thunderstorms, are not yet fully established and understood, therefore there is need for more correlative studies, for example by using concurrent ionospheric and lightning observations. In the present work an effort is made to investigate a possible relationship between tropospheric lighting and sporadic E layer, which are known to dominate at bottomside ionosphere and at middle latitudes during summer. For this, a correlative analysis was undertaken using lightning data obtained with the LINET lightning detection network in Central Europe, and E region ionospheric parameters (fmin, foE, foEs, fbEs) measured with the Pruhonice (50° N, 14.5° E) DPS-4D digisonde in the summer of 2009. For direct correlation with the digisonde data, the lightning activity was quantified every 15 minutes in coincidence with the measured ionogram parameters. In the search for relation between lightning and sporadic E, the digisonde observations during lightning were also compared with those taken during a number of tropospheric storm-free days in Pruhonice. The results of this correlative study did not provide evidence of significance that favors a relationship between tropospheric lightning and midlatitude sporadic E layer.

High-energy capacitance electrostatic micromotors

NASA Astrophysics Data System (ADS)

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.

Electrostatic drift instability in a magnetotail configuration: The role of bouncing electrons

NASA Astrophysics Data System (ADS)

Fruit, G.; Louarn, P.; Tur, A.

2017-03-01

To understand the possible destabilization of two-dimensional current sheets, a kinetic model is proposed to describe the resonant interaction between electrostatic modes and trapped electrons that bounce within the sheet. This work follows the initial investigation by Tur, Louarn, and Yanovsky [Phys. Plasmas 17, 102905 (2010)] and Fruit, Louarn, and Tur [Phys. Plasmas 20, 022113 (2013)] that is revised and extended. Using a quasi-dipolar equilibrium state, the linearized gyro-kinetic Vlasov equation is solved for electrostatic fluctuations with a period of the order of the electron bounce period. Using an appropriated Fourier expansion of the particle motion along the magnetic field, the complete time integration of the non-local perturbed distribution functions is performed. The dispersion relation for electrostatic modes is then obtained through the quasineutrality condition. It is found that for a mildly stretched configuration ( L ˜8 ), strongly unstable electrostatic modes may develop in the current sheet with the growth rate of the order of a few seconds provided that the background density gradient responsible for the diamagnetic drift effects is sharp enough: typical length scale over one Earth radius or less. However, when this condition in the density gradient is not met, these electrostatic modes grow too slowly to be accountable for a rapid destabilization of the magnetic structure. This strong but finely tuned instability may offer opportunities to explain features in magnetospheric substorms.

Factors determining electrostatic fields in molecular dynamics simulations of the Ras/effector interface.

PubMed

Ensign, Daniel L; Webb, Lauren J

2011-12-01

Using molecular dynamics simulations, we explore geometric and physical factors contributing to calculated electrostatic fields at the binding surface of the GTPase Ras with a spectroscopically labeled variant of a downstream effector, the Ras-binding domain of Ral guanine nucleotide dissociation stimulator (RalGDS). A related system (differing by mutation of one amino acid) has been studied in our group using vibrational Stark effect spectroscopy, a technique sensitive to electrostatic fields. Electrostatic fields were computed using the AMBER 2003 force field and averaged over snapshots from molecular dynamics simulation. We investigate geometric factors by exploring how the orientation of the spectroscopic probe changes on Ras-effector binding. In addition, we explore the physical origin of electrostatic fields at our spectroscopic probe by comparing contributions to the field from discrete components of the system, such as explicit solvent, residues on the Ras surface, and residues on the RalGDS surface. These models support our experimental hypothesis that vibrational Stark shifts are caused by Ras binding to its effector and not the structural rearrangements of the effector surface or probe reorientation on Ras-effector binding, for at least some of our experimental probes. These calculations provide physical insight into the origin, magnitude, and importance of electrostatic fields in protein-protein interactions and suggest new experiments to probe the field's role in protein docking. Copyright © 2011 Wiley-Liss, Inc.

Electrostatic stiffening and induced persistence length for coassembled molecular bottlebrushes

NASA Astrophysics Data System (ADS)

Storm, Ingeborg M.; Stuart, Martien A. Cohen; de Vries, Renko; Leermakers, Frans A. M.

2018-03-01

A self-consistent field analysis for tunable contributions to the persistence length of isolated semiflexible polymer chains including electrostatically driven coassembled deoxyribonucleic acid (DNA) bottlebrushes is presented. When a chain is charged, i.e., for polyelectrolytes, there is, in addition to an intrinsic rigidity, an electrostatic stiffening effect, because the electric double layer resists bending. For molecular bottlebrushes, there is an induced contribution due to the grafts. We explore cases beyond the classical phantom main-chain approximation and elaborate molecularly more realistic models where the backbone has a finite volume, which is necessary for treating coassembled bottlebrushes. We find that the way in which the linear charge density or the grafting density is regulated is important. Typically, the stiffening effect is reduced when there is freedom for these quantities to adapt to the curvature stresses. Electrostatically driven coassembled bottlebrushes, however, are relatively stiff because the chains have a low tendency to escape from the compressed regions and the electrostatic binding force is largest in the convex part. For coassembled bottlebrushes, the induced persistence length is a nonmonotonic function of the polymer concentration: For low polymer concentrations, the stiffening grows quadratically with coverage; for semidilute polymer concentrations, the brush chains retract and regain their Gaussian size. When doing so, they lose their induced persistence length contribution. Our results correlate well with observed physical characteristics of electrostatically driven coassembled DNA-bioengineered protein-polymer bottlebrushes.

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

PubMed

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.

PHEPS: web-based pH-dependent Protein Electrostatics Server

PubMed Central

Kantardjiev, Alexander A.; Atanasov, Boris P.

2006-01-01

PHEPS (pH-dependent Protein Electrostatics Server) is a web service for fast prediction and experiment planning support, as well as for correlation and analysis of experimentally obtained results, reflecting charge-dependent phenomena in globular proteins. Its implementation is based on long-term experience (PHEI package) and the need to explain measured physicochemical characteristics at the level of protein atomic structure. The approach is semi-empirical and based on a mean field scheme for description and evaluation of global and local pH-dependent electrostatic properties: protein proton binding; ionic sites proton population; free energy electrostatic term; ionic groups proton affinities (pKa,i) and their Coulomb interaction with whole charge multipole; electrostatic potential of whole molecule at fixed pH and pH-dependent local electrostatic potentials at user-defined set of points. The speed of calculation is based on fast determination of distance-dependent pair charge-charge interactions as empirical three exponential function that covers charge–charge, charge–dipole and dipole–dipole contributions. After atomic coordinates input, all standard parameters are used as defaults to facilitate non-experienced users. Special attention was given to interactive addition of non-polypeptide charges, extra ionizable groups with intrinsic pKas or fixed ions. The output information is given as plain-text, readable by ‘RasMol’, ‘Origin’ and the like. The PHEPS server is accessible at . PMID:16845042

Hydration effects on the electrostatic potential around tuftsin.

PubMed

Valdeavella, C V; Blatt, H D; Yang, L; Pettitt, B M

1999-08-01

The electrostatic potential and component dielectric constants from molecular dynamics (MD) trajectories of tuftsin, a tetrapeptide with the amino acid sequence Thr-Lys-Pro-Arg in water and in saline solution are presented. The results obtained from the analysis of the MD trajectories for the total electrostatic potential at points on a grid using the Ewald technique are compared with the solution to the Poisson-Boltzmann (PB) equation. The latter was solved using several sets of dielectric constant parameters. The effects of structural averaging on the PB results were also considered. Solute conformational mobility in simulations gives rise to an electrostatic potential map around the solute dominated by the solute monopole (or lowest order multipole). The detailed spatial variation of the electrostatic potential on the molecular surface brought about by the compounded effects of the distribution of water and ions close to the peptide, solvent mobility, and solute conformational mobility are not qualitatively reproducible from a reparametrization of the input solute and solvent dielectric constants to the PB equation for a single structure or for structurally averaged PB calculations. Nevertheless, by fitting the PB to the MD electrostatic potential surfaces with the dielectric constants as fitting parameters, we found that the values that give the best fit are the values calculated from the MD trajectories. Implications of using such field calculations on the design of tuftsin peptide analogues are discussed.

Electrostatic Unfolding and Interactions of Albumin Driven by pH Changes: A Molecular Dynamics Study

PubMed Central

2015-01-01

A better understanding of protein aggregation is bound to translate into critical advances in several areas, including the treatment of misfolded protein disorders and the development of self-assembling biomaterials for novel commercial applications. Because of its ubiquity and clinical potential, albumin is one of the best-characterized models in protein aggregation research; but its properties in different conditions are not completely understood. Here, we carried out all-atom molecular dynamics simulations of albumin to understand how electrostatics can affect the conformation of a single albumin molecule just prior to self-assembly. We then analyzed the tertiary structure and solvent accessible surface area of albumin after electrostatically triggered partial denaturation. The data obtained from these single protein simulations allowed us to investigate the effect of electrostatic interactions between two proteins. The results of these simulations suggested that hydrophobic attractions and counterion binding may be strong enough to effectively overcome the electrostatic repulsions between the highly charged monomers. This work contributes to our general understanding of protein aggregation mechanisms, the importance of explicit consideration of free ions in protein solutions, provides critical new insights about the equilibrium conformation of albumin in its partially denatured state at low pH, and may spur significant progress in our efforts to develop biocompatible protein hydrogels driven by electrostatic partial denaturation. PMID:24393011

Counterion-induced swelling of ionic microgels

NASA Astrophysics Data System (ADS)

Denton, Alan R.; Tang, Qiyun

2016-10-01

Ionic microgel particles, when dispersed in a solvent, swell to equilibrium sizes that are governed by a balance between electrostatic and elastic forces. Tuning of particle size by varying external stimuli, such as pH, salt concentration, and temperature, has relevance for drug delivery, microfluidics, and filtration. To model swelling of ionic microgels, we derive a statistical mechanical theorem, which proves exact within the cell model, for the electrostatic contribution to the osmotic pressure inside a permeable colloidal macroion. Applying the theorem, we demonstrate how the distribution of counterions within an ionic microgel determines the internal osmotic pressure. By combining the electrostatic pressure, which we compute via both Poisson-Boltzmann theory and molecular dynamics simulation, with the elastic pressure, modeled via the Flory-Rehner theory of swollen polymer networks, we show how deswelling of ionic microgels with increasing concentration of particles can result from a redistribution of counterions that reduces electrostatic pressure. A linearized approximation for the electrostatic pressure, which proves remarkably accurate, provides physical insight and greatly eases numerical calculations for practical applications. Comparing with experiments, we explain why soft particles in deionized suspensions deswell upon increasing concentration and why this effect may be suppressed at higher ionic strength. The failure of the uniform ideal-gas approximation to adequately account for counterion-induced deswelling below close packing of microgels is attributed to neglect of spatial variation of the counterion density profile and the electrostatic pressure of incompletely neutralized macroions.

An anisotropic hydrogel with electrostatic repulsion between cofacially aligned nanosheets

NASA Astrophysics Data System (ADS)

Liu, Mingjie; Ishida, Yasuhiro; Ebina, Yasuo; Sasaki, Takayoshi; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo

2015-01-01

Machine technology frequently puts magnetic or electrostatic repulsive forces to practical use, as in maglev trains, vehicle suspensions or non-contact bearings. In contrast, materials design overwhelmingly focuses on attractive interactions, such as in the many advanced polymer-based composites, where inorganic fillers interact with a polymer matrix to improve mechanical properties. However, articular cartilage strikingly illustrates how electrostatic repulsion can be harnessed to achieve unparalleled functional efficiency: it permits virtually frictionless mechanical motion within joints, even under high compression. Here we describe a composite hydrogel with anisotropic mechanical properties dominated by electrostatic repulsion between negatively charged unilamellar titanate nanosheets embedded within it. Crucial to the behaviour of this hydrogel is the serendipitous discovery of cofacial nanosheet alignment in aqueous colloidal dispersions subjected to a strong magnetic field, which maximizes electrostatic repulsion and thereby induces a quasi-crystalline structural ordering over macroscopic length scales and with uniformly large face-to-face nanosheet separation. We fix this transiently induced structural order by transforming the dispersion into a hydrogel using light-triggered in situ vinyl polymerization. The resultant hydrogel, containing charged inorganic structures that align cofacially in a magnetic flux, deforms easily under shear forces applied parallel to the embedded nanosheets yet resists compressive forces applied orthogonally. We anticipate that the concept of embedding anisotropic repulsive electrostatics within a composite material, inspired by articular cartilage, will open up new possibilities for developing soft materials with unusual functions.

An anisotropic hydrogel with electrostatic repulsion between cofacially aligned nanosheets.

PubMed

Liu, Mingjie; Ishida, Yasuhiro; Ebina, Yasuo; Sasaki, Takayoshi; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo

2015-01-01

Machine technology frequently puts magnetic or electrostatic repulsive forces to practical use, as in maglev trains, vehicle suspensions or non-contact bearings. In contrast, materials design overwhelmingly focuses on attractive interactions, such as in the many advanced polymer-based composites, where inorganic fillers interact with a polymer matrix to improve mechanical properties. However, articular cartilage strikingly illustrates how electrostatic repulsion can be harnessed to achieve unparalleled functional efficiency: it permits virtually frictionless mechanical motion within joints, even under high compression. Here we describe a composite hydrogel with anisotropic mechanical properties dominated by electrostatic repulsion between negatively charged unilamellar titanate nanosheets embedded within it. Crucial to the behaviour of this hydrogel is the serendipitous discovery of cofacial nanosheet alignment in aqueous colloidal dispersions subjected to a strong magnetic field, which maximizes electrostatic repulsion and thereby induces a quasi-crystalline structural ordering over macroscopic length scales and with uniformly large face-to-face nanosheet separation. We fix this transiently induced structural order by transforming the dispersion into a hydrogel using light-triggered in situ vinyl polymerization. The resultant hydrogel, containing charged inorganic structures that align cofacially in a magnetic flux, deforms easily under shear forces applied parallel to the embedded nanosheets yet resists compressive forces applied orthogonally. We anticipate that the concept of embedding anisotropic repulsive electrostatics within a composite material, inspired by articular cartilage, will open up new possibilities for developing soft materials with unusual functions.

76 FR 44489 - Medical Devices; Neurological Devices; Classification of Repetitive Transcranial Magnetic...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-26

...; Hazards caused by electromagnetic interference and electrostatic discharge hazards; and Hearing loss. FDA... electromagnetic Electromagnetic compatibility. interference and electrostatic discharge hazards. Labeling. Hearing...

Electrostatically Biased Binding of Kinesin to Microtubules

PubMed Central

Zheng, Wenjun; Alonso, Maria; Huber, Gary; Dlugosz, Maciej; McCammon, J. Andrew; Cross, Robert A.

2011-01-01

The minimum motor domain of kinesin-1 is a single head. Recent evidence suggests that such minimal motor domains generate force by a biased binding mechanism, in which they preferentially select binding sites on the microtubule that lie ahead in the progress direction of the motor. A specific molecular mechanism for biased binding has, however, so far been lacking. Here we use atomistic Brownian dynamics simulations combined with experimental mutagenesis to show that incoming kinesin heads undergo electrostatically guided diffusion-to-capture by microtubules, and that this produces directionally biased binding. Kinesin-1 heads are initially rotated by the electrostatic field so that their tubulin-binding sites face inwards, and then steered towards a plus-endwards binding site. In tethered kinesin dimers, this bias is amplified. A 3-residue sequence (RAK) in kinesin helix alpha-6 is predicted to be important for electrostatic guidance. Real-world mutagenesis of this sequence powerfully influences kinesin-driven microtubule sliding, with one mutant producing a 5-fold acceleration over wild type. We conclude that electrostatic interactions play an important role in the kinesin stepping mechanism, by biasing the diffusional association of kinesin with microtubules. PMID:22140358

Grain-grain interaction in stationary dusty plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lampe, Martin; Joyce, Glenn

We present a particle-in-cell simulation study of the steady-state interaction between two stationary dust grains in uniform stationary plasma. Both the electrostatic force and the shadowing force on the grains are calculated explicitly. The electrostatic force is always repulsive. For two grains of the same size, the electrostatic force is very nearly equal to the shielded electric field due to a single isolated grain, acting on the charge of the other grain. For two grains of unequal size, the electrostatic force on the smaller grain is smaller than the isolated-grain field, and the force on the larger grain is largermore » than the isolated-grain field. In all cases, the attractive shadowing force exceeds the repulsive electrostatic force when the grain separation d is greater than an equilibrium separation d{sub 0}. d{sub 0} is found to be between 6λ{sub D} and 9λ{sub D} in all cases. The binding energy is estimated to be between 19 eV and 900 eV for various cases.« less

Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.

PubMed

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

Operation of electrothermal and electrostatic MUMPs microactuators underwater

NASA Astrophysics Data System (ADS)

Sameoto, Dan; Hubbard, Ted; Kujath, Marek

2004-10-01

Surface-micromachined actuators made in multi-user MEMS processes (MUMPs) have been operated underwater without modifying the manufacturing process. Such actuators have generally been either electro-thermally or electro-statically actuated and both actuator styles are tested here for suitability underwater. This is believed to be the first time that thermal and electrostatic actuators have been compared for deflection underwater relative to air performance. A high-frequency ac square wave is used to replicate a dc-driven actuator output without the associated problem of electrolysis in water. This method of ac activation, with frequencies far above the mechanical resonance frequencies of the MEMS actuators, has been termed root mean square (RMS) operation. Both thermal and electrostatic actuators have been tested and proved to work using RMS control. Underwater performance has been evaluated by using in-air operation of these actuators as a benchmark. When comparing deflection per volt applied, thermal actuators operate between 5 and 9% of in-air deflection and electrostatic actuators show an improvement in force per volt applied of upwards of 6000%. These results agree with predictions based on the physical properties of the surrounding medium.

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

NASA Astrophysics Data System (ADS)

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.

webPIPSA: a web server for the comparison of protein interaction properties

PubMed Central

Richter, Stefan; Wenzel, Anne; Stein, Matthias; Gabdoulline, Razif R.; Wade, Rebecca C.

2008-01-01

Protein molecular interaction fields are key determinants of protein functionality. PIPSA (Protein Interaction Property Similarity Analysis) is a procedure to compare and analyze protein molecular interaction fields, such as the electrostatic potential. PIPSA may assist in protein functional assignment, classification of proteins, the comparison of binding properties and the estimation of enzyme kinetic parameters. webPIPSA is a web server that enables the use of PIPSA to compare and analyze protein electrostatic potentials. While PIPSA can be run with downloadable software (see http://projects.eml.org/mcm/software/pipsa), webPIPSA extends and simplifies a PIPSA run. This allows non-expert users to perform PIPSA for their protein datasets. With input protein coordinates, the superposition of protein structures, as well as the computation and analysis of electrostatic potentials, is automated. The results are provided as electrostatic similarity matrices from an all-pairwise comparison of the proteins which can be subjected to clustering and visualized as epograms (tree-like diagrams showing electrostatic potential differences) or heat maps. webPIPSA is freely available at: http://pipsa.eml.org. PMID:18420653

Improvements to the APBS biomolecular solvation software suite: Improvements to the APBS Software Suite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jurrus, Elizabeth; Engel, Dave; Star, Keith

The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact in the study of a broad range of chemical, biological, and biomedical applications. APBS addresses three key technology challenges for understanding solvation and electrostatics in biomedical applications: accurate and efficient models for biomolecular solvation and electrostatics, robust and scalable software for applying those theories to biomolecular systems, and mechanisms for sharing and analyzing biomolecular electrostatics data in the scientific community. To address new research applications and advancing computational capabilities, we have continually updated APBS and its suitemore » of accompanying software since its release in 2001. In this manuscript, we discuss the models and capabilities that have recently been implemented within the APBS software package including: a Poisson-Boltzmann analytical and a semi-analytical solver, an optimized boundary element solver, a geometry-based geometric flow solvation model, a graph theory based algorithm for determining pKa values, and an improved web-based visualization tool for viewing electrostatics.« less