Impact of centrifugal drifts on ion turbulent transport

DOE PAGES

Belli, Emily A.; Candy, J.

2018-03-01

Here, the influence of sonic toroidal rotation on gyrokinetic stability and transport is studied, with important implications for heavy impurity dynamics. When centrifugal drifts and electrostatic trapping corrections are included, significant modifications to the calculated transport of heavy impurities are observed. These high-rotation corrections add to the standard Coriolis drift and toroidal rotation shear drive which are normally included in gyrokinetics. Yet, because of their complexity, centrifugal and electrostatic trapping terms (quadratic in the main ion Mach number) are not generally included in gyrokinetic codes. In this work, we explore the implications of using reduced descriptions of the rotational physics.more » For heavy impurities such as tungsten, cross terms due to the centrifugal force can dominate the rotation dynamics, and neglecting them is shown to lead to large errors in the impurity particle flux.« less

Observations of velocity shear driven plasma turbulence

NASA Technical Reports Server (NTRS)

Kintner, P. M., Jr.

1976-01-01

Electrostatic and magnetic turbulence observations from HAWKEYE-1 during the low altitude portion of its elliptical orbit over the Southern Hemisphere are presented. The magnetic turbulence is confined near the auroral zone and is similar to that seen at higher altitudes by HEOS-2 in the polar cusp. The electrostatic turbulence is composed of a background component with a power spectral index of 1.89 + or - .26 and an intense component with a power spectral index of 2.80 + or - .34. The intense electrostatic turbulence and the magnetic turbulence correlate with velocity shears in the convective plasma flow. Since velocity shear instabilities are most unstable to wave vectors perpendicular to the magnetic field, the shear correlated turbulence is anticipated to be two dimensional in character and to have a power spectral index of 3 which agrees with that observed in the intense electrostatic turbulence.

Application of Glow Discharge Plasma to Alter Surface Properties of Materials

NASA Technical Reports Server (NTRS)

Trigwell, Steve; Buhler, Charles R.; Calle, Carlos I.

2005-01-01

Some polymer materials that are considered important for spaceport operations are rendered noncompliant when subjected to the Kennedy Space Center (KSC) Standard electrostatic testing. These materials operate in stringent environmental conditions, such as high humidity. Treating materials that fail electrostatic testing and altering their surface properties so that they become compliant would result in considerable cost savings. Significant improvement in electrostatic dissipation of Saf-T-Vu PVC after treatment with air Atmospheric Plasma Glow Discharge (APGD) was observed and the material now passed the KSC electrostatic test. The O:C ratio on the surface, as monitored by X-ray Photoelectron Spectroscopy, increased from 0.165 tO 0.275 indicating enhanced oxidation, and surface contact angle measurements decreased from 107.5 to 72.6 showing increased hydrophilicity that accounted for the increased conductivity. Monitoring of the aging showed that the materials hydrophobic recovery resulted in it failing the electrostatic test 30 hours after treatment. This was probably due to the out-diffusion of the added Zn, Ba, and Cd salt stabilizers detected on the surface and/or diffusion of low molecular weight oligomers. On going work includes improving the long term hydrophilicity by optimizing the APGD process with different gas mixtures. Treatment of other spaceport materials is also presented.

Electrostatic dust transport on the surfaces of airless bodies

NASA Astrophysics Data System (ADS)

Wang, X.; Schwan, J.; Hsu, H. W.; Horanyi, M.

2015-12-01

The surfaces of airless bodies are charged due to the exposure to solar wind plasma and UV radiation. Dust particles on the regolith of these surfaces can become charged, and may move and even get lofted due to electrostatic force. Electrostatic dust transport has been a long-standing problem that may be related to many observed phenomena on the surfaces of airless planetary bodies, including the lunar horizon glow, the dust ponds on asteroid Eros, the spokes in Saturn's rings, and more recently, the collection of dust particles ejected off Comet 67P, observed by Rosetta. In order to resolve these puzzles, a handful of laboratory experiments have been performed in the past and demonstrated that dust indeed moves and lifts from surfaces exposed to plasma. However, the exact mechanisms for the mobilization of dust particles still remain a mystery. Current charging models, including the so-called "shared charge model" and the charge fluctuation theory, will be discussed. It is found that neither of these models can explain the results from either laboratory experiments or in-situ observations. Recently, single dust trajectories were captured with our new dust experiments, enabling novel micro-scale investigations. The particles' initial launch speeds and size distributions are analyzed, and a new so-called "patched charge model" is proposed to explain our findings. We identify the role of plasma micro-cavities that are formed in-between neighboring dust particles. The emitted secondary or photo- electrons are proposed to be absorbed inside the micro-cavities, resulting in significant charge accumulation on the exposed patches of the surfaces of neighboring particles. The resulting enhanced Coulomb force (repulsion) between particles is likely the dominant force to mobilize and lift them off the surface. The role of other properties, including surface morphology, cohesion and photoelectron charging, will also be discussed.

Dynamics of Oscillating and Rotating Liquid Drop using Electrostatic Levitator

NASA Astrophysics Data System (ADS)

Matsumoto, Satoshi; Awazu, Shigeru; Abe, Yutaka; Watanabe, Tadashi; Nishinari, Katsuhiro; Yoda, Shinichi

2006-11-01

In order to understand the nonlinear behavior of liquid drop with oscillatory and/or rotational motions, an experimental study was performed. The electrostatic levitator was employed to achieve liquid drop formation on ground. A liquid drop with about 3 mm in diameter was levitated. The oscillation of mode n=2 along the vertical axis was induced by an external electrostatic force. The oscillatory motions were observed to clarify the nonlinearities of oscillatory behavior. A relationship between amplitude and frequency shift was made clear and the effect of frequency shift on amplitude agreed well with the theory. The frequency shift became larger with increasing the amplitude of oscillation. To confirm the nonlinear effects, we modeled the oscillation by employing the mass-spring-damper system included the nonlinear term. The result indicates that the large-amplitude oscillation includes the effect of nonlinear oscillation. The sound pressure was imposed to rotate the liquid drop along a vertical axis by using a pair of acoustic transducers. The drop transited to the two lobed shape due to centrifugal force when nondimensional angular velocity exceeded to 0.58.

Coarse-graining, Electrostatics and pH effects in phospholipid systems

NASA Astrophysics Data System (ADS)

Travesset, Alex; Vangaveti, Sweta

2010-03-01

We introduce a minimal free energy describing the interaction of charged groups and counterions including both classical electrostatic and specific interactions. The predictions of the model are compared against the standard model for describing ions next to charged interfaces, consisting of Poisson-Boltzmann theory with additional constants describing ion binding, which are specific to the counterion and the interfacial charge (``chemical binding''). It is shown that the ``chemical'' model can be appropriately described by an underlying ``physical'' model over several decades in concentration, but the extracted binding constants are not uniquely defined, as they differ depending on the particular observable quantity being studied. It is also shown that electrostatic correlations for divalent (or higher valence) ions enhance the surface charge by increasing deprotonation, an effect not properly accounted within chemical models. The model is applied to the charged phospholipids phosphatidylserine, Phosphatidc acid and Phosphoinositides and implications for different biological processes are discussed.

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.

Direct Observation of 2D Electrostatics and Ohmic Contacts in Template-Grown Graphene/WS2 Heterostructures.

PubMed

Zheng, Changxi; Zhang, Qianhui; Weber, Bent; Ilatikhameneh, Hesameddin; Chen, Fan; Sahasrabudhe, Harshad; Rahman, Rajib; Li, Shiqiang; Chen, Zhen; Hellerstedt, Jack; Zhang, Yupeng; Duan, Wen Hui; Bao, Qiaoliang; Fuhrer, Michael S

2017-03-28

Large-area two-dimensional (2D) heterojunctions are promising building blocks of 2D circuits. Understanding their intriguing electrostatics is pivotal but largely hindered by the lack of direct observations. Here graphene-WS 2 heterojunctions are prepared over large areas using a seedless ambient-pressure chemical vapor deposition technique. Kelvin probe force microscopy, photoluminescence spectroscopy, and scanning tunneling microscopy characterize the doping in graphene-WS 2 heterojunctions as-grown on sapphire and transferred to SiO 2 with and without thermal annealing. Both p-n and n-n junctions are observed, and a flat-band condition (zero Schottky barrier height) is found for lightly n-doped WS 2 , promising low-resistance ohmic contacts. This indicates a more favorable band alignment for graphene-WS 2 than has been predicted, likely explaining the low barriers observed in transport experiments on similar heterojunctions. Electrostatic modeling demonstrates that the large depletion width of the graphene-WS 2 junction reflects the electrostatics of the one-dimensional junction between two-dimensional materials.

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.

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.

Molecular Dynamic Studies of Particle Wake Potentials in Plasmas

NASA Astrophysics Data System (ADS)

Ellis, Ian; Graziani, Frank; Glosli, James; Strozzi, David; Surh, Michael; Richards, David; Decyk, Viktor; Mori, Warren

2010-11-01

Fast Ignition studies require a detailed understanding of electron scattering, stopping, and energy deposition in plasmas with variable values for the number of particles within a Debye sphere. Presently there is disagreement in the literature concerning the proper description of these processes. Developing and validating proper descriptions requires studying the processes using first-principle electrostatic simulations and possibly including magnetic fields. We are using the particle-particle particle-mesh (P^3M) code ddcMD to perform these simulations. As a starting point in our study, we examined the wake of a particle passing through a plasma. In this poster, we compare the wake observed in 3D ddcMD simulations with that predicted by Vlasov theory and those observed in the electrostatic PIC code BEPS where the cell size was reduced to .03λD.

Asymmetrical Capacitors for Propulsion and the ISR Asymmetrical Capacitator Thruster, Experimental Results and Improved Designs

NASA Technical Reports Server (NTRS)

Canning, Francis; Winet, Ed; Ice, Bob; Melcher, Cory; Pesavento, Phil; Holmes, Alan; Butler, Carey; Cole, John; Campbell, Jonathan

2004-01-01

The outline of this viewgraph presentation on asymmetrical capacitor thruster development includes: 1) Test apparatus; 2) Devices tested; 3) Circuits used; 4) Data collected (Time averaged, Time resolved); 5) Patterns observed; 6) Force calculation; 7) Electrostatic modeling; 8) Understand it all.

Experimental study on detection of electrostatic discharges generated by polymer granules inside a metal silo

NASA Astrophysics Data System (ADS)

Choi, Kwangseok; Mogami, Tomofumi; Suzuki, Teruo

2014-04-01

To detect electrostatic discharges generated by polymer granules within a metal silo, we developed a novel and simple electrostatic discharge detector that utilizes a photosensor. The novel detector consists of a photosensor module in a metal cylinder, an optical band-pass filter, a quartz glass, a power supply, an amplifier for the photosensor module, and a digital oscilloscope. In this study, we conducted experiments at a real pneumatic powder transport facility that includes a metal silo to evaluate the novel detector using polypropylene granules. To determine the performance of the novel detector, we observed the electrostatic discharge within the metal silo using a conventional image intensifier system. The results obtained from the experiments show that the novel detector worked well in this study. The signals obtained with the novel detector were identical to the electrostatic discharges obtained with the conventional image intensifier system. The greatest advantage of this novel detector is that it is effective even when placed under external lights. In addition, the influence of various optical band-pass filters on the performance of the novel detector was discussed. Our study confirmed that an optical band-pass filter with a center wavelength of λ 330 nm (λ1/2: 315-345 nm) was the best performer among the optical band-pass filters used in this study.

Experimental study on detection of electrostatic discharges generated by polymer granules inside a metal silo.

PubMed

Choi, Kwangseok; Mogami, Tomofumi; Suzuki, Teruo

2014-04-01

To detect electrostatic discharges generated by polymer granules within a metal silo, we developed a novel and simple electrostatic discharge detector that utilizes a photosensor. The novel detector consists of a photosensor module in a metal cylinder, an optical band-pass filter, a quartz glass, a power supply, an amplifier for the photosensor module, and a digital oscilloscope. In this study, we conducted experiments at a real pneumatic powder transport facility that includes a metal silo to evaluate the novel detector using polypropylene granules. To determine the performance of the novel detector, we observed the electrostatic discharge within the metal silo using a conventional image intensifier system. The results obtained from the experiments show that the novel detector worked well in this study. The signals obtained with the novel detector were identical to the electrostatic discharges obtained with the conventional image intensifier system. The greatest advantage of this novel detector is that it is effective even when placed under external lights. In addition, the influence of various optical band-pass filters on the performance of the novel detector was discussed. Our study confirmed that an optical band-pass filter with a center wavelength of λ 330 nm (λ1/2: 315-345 nm) was the best performer among the optical band-pass filters used in this study.

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

A Technology-Enhanced Unit of Modeling Static Electricity: Integrating scientific explanations and everyday observations

NASA Astrophysics Data System (ADS)

Shen, Ji; Linn, Marcia C.

2011-08-01

What trajectories do students follow as they connect their observations of electrostatic phenomena to atomic-level visualizations? We designed an electrostatics unit, using the knowledge integration framework to help students link observations and scientific ideas. We analyze how learners integrate ideas about charges, charged particles, energy, and observable events. We compare learning enactments in a typical school and a magnet school in the USA. We use pre-tests, post-tests, embedded notes, and delayed post-tests to capture the trajectories of students' knowledge integration. We analyze how visualizations help students grapple with abstract electrostatics concepts such as induction. We find that overall students gain more sophisticated ideas. They can interpret dynamic, interactive visualizations, and connect charge- and particle-based explanations to interpret observable events. Students continue to have difficulty in applying the energy-based explanation.

Including diverging electrostatic potential in 3D-RISM theory: The charged wall case.

PubMed

Vyalov, Ivan; Rocchia, Walter

2018-03-21

Although three-dimensional site-site molecular integral equations of liquids are a powerful tool of the modern theoretical chemistry, their applications to the problem of characterizing the electrical double layer originating at the solid-liquid interface with a macroscopic substrate are severely limited by the fact that an infinitely extended charged plane generates a divergent electrostatic potential. Such potentials cannot be treated within the standard 3D-Reference Interaction Site Model equation solution framework since it leads to functions that are not Fourier transformable. In this paper, we apply a renormalization procedure to overcome this obstacle. We then check the validity and numerical accuracy of the proposed computational scheme on the prototypical gold (111) surface in contact with water/alkali chloride solution. We observe that despite the proposed method requires, to achieve converged charge densities, a higher spatial resolution than that suited to the estimation of biomolecular solvation with either 3D-RISM or continuum electrostatics approaches, it still is computationally efficient. Introducing the electrostatic potential of an infinite wall, which is periodic in 2 dimensions, we avoid edge effects, permit a robust integration of Poisson's equation, and obtain the 3D electrostatic potential profile for the first time in such calculations. We show that the potential within the electrical double layer presents oscillations which are not grasped by the Debye-Hückel and Gouy-Chapman theories. This electrostatic potential deviates from its average of up to 1-2 V at small distances from the substrate along the lateral directions. Applications of this theoretical development are relevant, for example, for liquid scanning tunneling microscopy imaging.

Including diverging electrostatic potential in 3D-RISM theory: The charged wall case

NASA Astrophysics Data System (ADS)

Vyalov, Ivan; Rocchia, Walter

2018-03-01

Although three-dimensional site-site molecular integral equations of liquids are a powerful tool of the modern theoretical chemistry, their applications to the problem of characterizing the electrical double layer originating at the solid-liquid interface with a macroscopic substrate are severely limited by the fact that an infinitely extended charged plane generates a divergent electrostatic potential. Such potentials cannot be treated within the standard 3D-Reference Interaction Site Model equation solution framework since it leads to functions that are not Fourier transformable. In this paper, we apply a renormalization procedure to overcome this obstacle. We then check the validity and numerical accuracy of the proposed computational scheme on the prototypical gold (111) surface in contact with water/alkali chloride solution. We observe that despite the proposed method requires, to achieve converged charge densities, a higher spatial resolution than that suited to the estimation of biomolecular solvation with either 3D-RISM or continuum electrostatics approaches, it still is computationally efficient. Introducing the electrostatic potential of an infinite wall, which is periodic in 2 dimensions, we avoid edge effects, permit a robust integration of Poisson's equation, and obtain the 3D electrostatic potential profile for the first time in such calculations. We show that the potential within the electrical double layer presents oscillations which are not grasped by the Debye-Hückel and Gouy-Chapman theories. This electrostatic potential deviates from its average of up to 1-2 V at small distances from the substrate along the lateral directions. Applications of this theoretical development are relevant, for example, for liquid scanning tunneling microscopy imaging.

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.

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.

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.

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.

Electrostatic forces govern the binding mechanism of intrinsically disordered histone chaperones

PubMed Central

Liu, Chuanbo; Wang, Tianshu; Bai, Yawen; Wang, Jin

2017-01-01

A unified picture to understand the protein recognition and function must include the native binding complex structure ensembles and the underlying binding mechanisms involved in specific biological processes. However, quantifications of both binding complex structures and dynamical mechanisms are still challenging for IDP. In this study, we have investigated the underlying molecular mechanism of the chaperone Chz1 and histone H2A.Z-H2B association by equilibrium and kinetic stopped-flow fluorescence spectroscopy. The dependence of free energy and kinetic rate constant on electrolyte mean activity coefficient and urea concentration are uncovered. Our results indicate a previous unseen binding kinetic intermediate. An initial conformation selection step of Chz1 is also revealed before the formation of this intermediate state. Based on these observations, a mixed mechanism of three steps including both conformation selection and induced fit is proposed. By combination of the ion- and denaturant-induced experiments, we demonstrate that electrostatic forces play a dominant role in the recognition of bipolar charged intrinsically disordered protein Chz1 to its preferred partner H2A.Z-H2B. Both the intra-chain and inter-chain electrostatic interactions have direct impacts on the native collapsed structure and binding mechanism. PMID:28552960

Higher Order Multipole Potentials and Electrostatic Screening Effects on Cohesive Energy and Bulk Modulus of Metallic Nanoparticles

NASA Astrophysics Data System (ADS)

Barakat, T.

2011-12-01

Higher order multipole potentials and electrostatic screening effects are introduced to incorporate the dangling bonds on the surface of a metallic nanopaticle and to modify the coulomb like potential energy terms, respectively. The total interaction energy function for any metallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terms are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.

Biofilm formation and local electrostatic force characteristics of Escherichia coli O157:H7 observed by electrostatic force microscopy

NASA Astrophysics Data System (ADS)

Oh, Y. J.; Jo, W.; Yang, Y.; Park, S.

2007-04-01

The authors report growth media dependence of electrostatic force characteristics in Escherichia coli O157:H7 biofilm through local measurement by electrostatic force microscopy (EFM). The difference values of electrostatic interaction between the bacterial surface and the abiotic surface show an exponential decay behavior during biofilm development. In the EFM data, the biofilm in the low nutrient media shows a faster decay than the biofilm in the rich media. The surface potential in the bacterial cells was changed from 957to149mV. Local characterization of extracellular materials extracted from the bacteria reveals the progress of the biofilm formation and functional complexities.

Magnetospheric Multiscale observations of large-amplitude, parallel, electrostatic waves associated with magnetic reconnection at the magnetopause

NASA Astrophysics Data System (ADS)

Ergun, R. E.; Holmes, J. C.; Goodrich, K. A.; Wilder, F. D.; Stawarz, J. E.; Eriksson, S.; Newman, D. L.; Schwartz, S. J.; Goldman, M. V.; Sturner, A. P.; Malaspina, D. M.; Usanova, M. E.; Torbert, R. B.; Argall, M.; Lindqvist, P.-A.; Khotyaintsev, Y.; Burch, J. L.; Strangeway, R. J.; Russell, C. T.; Pollock, C. J.; Giles, B. L.; Dorelli, J. J. C.; Avanov, L.; Hesse, M.; Chen, L. J.; Lavraud, B.; Le Contel, O.; Retino, A.; Phan, T. D.; Eastwood, J. P.; Oieroset, M.; Drake, J.; Shay, M. A.; Cassak, P. A.; Nakamura, R.; Zhou, M.; Ashour-Abdalla, M.; André, M.

2016-06-01

We report observations from the Magnetospheric Multiscale satellites of large-amplitude, parallel, electrostatic waves associated with magnetic reconnection at the Earth's magnetopause. The observed waves have parallel electric fields (E||) with amplitudes on the order of 100 mV/m and display nonlinear characteristics that suggest a possible net E||. These waves are observed within the ion diffusion region and adjacent to (within several electron skin depths) the electron diffusion region. They are in or near the magnetosphere side current layer. Simulation results support that the strong electrostatic linear and nonlinear wave activities appear to be driven by a two stream instability, which is a consequence of mixing cold (<10 eV) plasma in the magnetosphere with warm (~100 eV) plasma from the magnetosheath on a freshly reconnected magnetic field line. The frequent observation of these waves suggests that cold plasma is often present near the magnetopause.

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)

Measurement System of Surface Electrostatic Potential on Insulation Board in Vacuum and its Application

NASA Astrophysics Data System (ADS)

Morita, Hiroshi; Hatanaka, Ayumu; Yokosuka, Toshiyuki; Seki, Yoshitaka; Tsumuraya, Yoshiaki; Doi, Motomichi

The measurement system of the surface electrostatic potential on a solid insulation board in vacuum has been developed. We used this system to measure the electrostatic potential distribution of the surface of a borosilicate glass plate applied a high voltage. A local increase in the electric field was observed. It is considered that this phenomenon is caused by a positive electrostatic charge generated by a secondary emission of field emission electrons from an electrode. On the other hand, a local increase in the electric field was not observed on a glass plate coated with silica particles and a glass plate roughened by sandblast. We reasoned that this could be because the electrons were trapped by the roughness of the surface. It is considered that these phenomena make many types of equipment using the vacuum insulation more reliable.

Electrostatic potential jump across fast-mode collisionless shocks

NASA Technical Reports Server (NTRS)

Mandt, M. E.; Kan, J. R.

1991-01-01

The electrostatic potential jump across fast-mode collisionless shocks is examined by comparing published observations, hybrid simulations, and a simple model, in order to better characterize its dependence on the various shock parameters. In all three, it is assumed that the electrons can be described by an isotropic power-law equation of state. The observations show that the cross-shock potential jump correlates well with the shock strength but shows very little correlation with other shock parameters. Assuming that the electrons obey an isotropic power law equation of state, the correlation of the potential jump with the shock strength follows naturally from the increased shock compression and an apparent dependence of the power law exponent on the Mach number which the observations indicate. It is found that including a Mach number dependence for the power law exponent in the electron equation of state in the simple model produces a potential jump which better fits the observations. On the basis of the simulation results and theoretical estimates of the cross-shock potential, it is discussed how the cross-shock potential might be expected to depend on the other shock parameters.

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.

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

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.

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.

Planetary plasma waves

NASA Technical Reports Server (NTRS)

Gurnett, Donald A.

1993-01-01

The primary types of plasma waves observed in the vicinity of the planets Venus, Mars, Earth, Jupiter, Saturn, Uranus, and Neptune are described. The observations are organized according to the various types of plasma waves observed, ordered according to decreasing distance from the planet, starting from the sunward side of the planet, and ending in the region near the closest approach. The plasma waves observed include: electron plasma oscillations and ion acoustic waves; trapped continuum radiation; electron cyclotron and upper hybrid waves; whistler-mode emissions; electrostatic ion cyclotron waves; and electromagnetic ion cyclotron waves.

Electrostatics Control Actin Filament Nucleation and Elongation Kinetics*

PubMed Central

Crevenna, Alvaro H.; Naredi-Rainer, Nikolaus; Schönichen, André; Dzubiella, Joachim; Barber, Diane L.; Lamb, Don C.; Wedlich-Söldner, Roland

2013-01-01

The actin cytoskeleton is a central mediator of cellular morphogenesis, and rapid actin reorganization drives essential processes such as cell migration and cell division. Whereas several actin-binding proteins are known to be regulated by changes in intracellular pH, detailed information regarding the effect of pH on the actin dynamics itself is still lacking. Here, we combine bulk assays, total internal reflection fluorescence microscopy, fluorescence fluctuation spectroscopy techniques, and theory to comprehensively characterize the effect of pH on actin polymerization. We show that both nucleation and elongation are strongly enhanced at acidic pH, with a maximum close to the pI of actin. Monomer association rates are similarly affected by pH at both ends, although dissociation rates are differentially affected. This indicates that electrostatics control the diffusional encounter but not the dissociation rate, which is critical for the establishment of actin filament asymmetry. A generic model of protein-protein interaction, including electrostatics, explains the observed pH sensitivity as a consequence of charge repulsion. The observed pH effect on actin in vitro agrees with measurements of Listeria propulsion in pH-controlled cells. pH regulation should therefore be considered as a modulator of actin dynamics in a cellular environment. PMID:23486468

Coherent generation of the auroral kilometric radiation by nonlinear beatings between electrostatic waves

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

Pellat, R.; Roux, A.

1979-09-01

The propagation of electrostatic plasma waves in an inhomogeneous and magnetized plasma is studied analytically. These waves, which are driven unstable by auroral beams of electrons, are shown to suffer a further geometrical amplification while they propagate toward cut-off. Simultaneously their group velocities tend to be aligned with the geomagnetic field. Then it is shown that the electrostatic energy tends to accumulate at or near ..omega../sub L/H and ..omega../sub U/H, the local lower and upper hybrid frequencies. Due to this process, large amplitude electrostatic waves with very narrow spectra should be observed near these frequencies at any place along themore » auroral field lines where intense beam driven instability takes place. These intense quasi-monochromatic electrostatic waves are then shown to give rise by a coherent nonlinear three wave process to an intense electromagnetic radiation. Provided that the ratio ..omega../sub p/e/..omega../sub c/e tends to be smaller than unity, it is shown that the most intense radiation should be observed at 2..omega../sub U/H in the extraordinary mode.« less

Structural phylogeny by profile extraction and multiple superimposition using electrostatic congruence as a discriminator

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

Chakraborty, Sandeep; Rao, Basuthkar J.; Baker, Nathan A.

2013-04-01

Phylogenetic analysis of proteins using multiple sequence alignment (MSA) assumes an underlying evolutionary relationship in these proteins which occasionally remains undetected due to considerable sequence divergence. Structural alignment programs have been developed to unravel such fuzzy relationships. However, none of these structure based methods have used electrostatic properties to discriminate between spatially equivalent residues. We present a methodology for MSA of a set of related proteins with known structures using electrostatic properties as an additional discriminator (STEEP). STEEP first extracts a profile, then generates a multiple structural superimposition providing a consolidated spatial framework for comparing residues and finally emits themore » MSA. Residues that are aligned differently by including or excluding electrostatic properties can be targeted by directed evolution experiments to transform the enzymatic properties of one protein into another. We have compared STEEP results to those obtained from a MSA program (ClustalW) and a structural alignment method (MUSTANG) for chymotrypsin serine proteases. Subsequently, we used PhyML to generate phylogenetic trees for the serine and metallo-β-lactamase superfamilies from the STEEP generated MSA, and corroborated the accepted relationships in these superfamilies. We have observed that STEEP acts as a functional classifier when electrostatic congruence is used as a discriminator, and thus identifies potential targets for directed evolution experiments. In summary, STEEP is unique among phylogenetic methods for its ability to use electrostatic congruence to specify mutations that might be the source of the functional divergence in a protein family. Based on our results, we also hypothesize that the active site and its close vicinity contains enough information to infer the correct phylogeny for related proteins.« less

Effect of salt entropy on protein solubility and Hofmeister series

NASA Astrophysics Data System (ADS)

Dahal, Yuba; Schmit, Jeremy

We present a theory of salt effects on protein solubility that accounts for salting-in, salting-out, and the Hofmeister series. We represent protein charge by the first order multipole expansion to include attractive and repulsive electrostatic interactions in the model. Our model also includes non-electrostatic protein-ion interactions, and ion-solvent interactions via an effective solvated ion radius. We find that the finite size of the ions has significant effects on the translational entropy of the salt, which accounts for the changes in the protein solubility. At low salt the dominant effect comes from the entropic cost of confining ions within the aggregate. At high concentrations the salt drives a depletion attraction that favors aggregation. Our theory explains the reversal in the Hofmeister series observed in lysozyme cloud point measurements and semi-quantitatively describes the solubility of lysozyme and chymosin crystals.

On the Interpretation of the level structure of the Ground 3d5 Manifold of Mn III, Fe IV, Co V and Ni VI

NASA Astrophysics Data System (ADS)

Leushin, A. M.

2011-10-01

The level structure of the ground 3d5 configuration of Mn2+, Fe3+, Co4+ and Ni5+ ions was theoretically interpreted by means of a least-squares fit of the energy parameters to the observed values within the framework of the single-configuration approximation. In the Hamiltonian in addition to real electrostatic, spin-orbit, and spin-spin interactions, electrostatic and spin-orbit interactions correlated by configuration mixing were included. It was shown that the correct positions of almost all the energy levels are determined when the Hamiltonian includes the terms of the lineal (two-body operators) and nonlinear (three-body operators) theory of the configuration interaction. The most correct theoretical description of the experimental spectra was obtained by taking into account relativistic interactions and correlation effects of spin-orbit interactions. Adjustable parameters of the interactions included into the Hamiltonian were found.

Magnetospheric Multiscale Observations of Large-Amplitude Parallel, Electrostatic Waves Associated with Magnetic Reconnection at the Magnetopause

NASA Technical Reports Server (NTRS)

Ergun, R. E.; Holmes, J. C.; Goodrich, K. A.; Wilder, F. D.; Stawarz, J. E.; Eriksson, S.; Newman, D. L.; Schwartz, S. J.; Goldman, M. V.; Sturner, A. P.;

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.

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 ...

Plasma wave phenomena at interplanetary shocks observed by the Ulysses URAP experiment. [Unified Radio and Plasma Waves

NASA Technical Reports Server (NTRS)

Lengyel-Frey, D.; Macdowall, R. J.; Stone, R. G.; Hoang, S.; Pantellini, F.; Harvey, C.; Mangeney, A.; Kellogg, P.; Thiessen, J.; Canu, P.

1992-01-01

We present Ulysses URAP observations of plasma waves at seven interplanetary shocks detected between approximately 1 and 3 AU. The URAP data allows ready correlation of wave phenomena from .1 Hz to 1 MHz. Wave phenomena observed in the shock vicinity include abrupt changes in the quasi-thermal noise continuum, Langmuir wave activity, ion acoustic noise, whistler waves and low frequency electrostatic waves. We focus on the forward/reverse shock pair of May 27, 1991 to demonstrate the characteristics of the URAP data.

Turbulence of electrostatic electron cyclotron harmonic waves observed by Ogo 5.

NASA Technical Reports Server (NTRS)

Oya, H.

1972-01-01

Analysis of VLF emissions that have been observed near 3/2, 5/2, and 7/2 f sub H by Ogo 5 in the magnetosphere (f sub H is the electron cyclotron frequency) in the light of the mechanism used for the diffuse plasma resonance f sub Dn observed by Alouette 2 and Isis 1. The VLF emission is considered to be generated by nonlinear coupling mechanisms in certain portions of the observation as the f sub Dn is enhanced by its association with nonlinear wave-particle interaction of the electrostatic electron cyclotron harmonic wave, including the instability due to the nonlinear inverse Landau damping mechanism in the turbulence. The difference between the two observations is in the excitation mechanism of the turbulence; the turbulence in the plasma trough detected by Ogo 5 is due to natural origins, whereas the ionospheric topside sounder makes the plasma wave turbulence artificially by submitting strong stimulation pulses. Electron density values in the plasma trough are deduced by applying the f sub Dn-f sub N/f sub H relationship obtained from the Alouette 2 experiment as well as by applying the condition for the wave-particle nonlinear interactions. The electron density values reveal good agreement with the ion density values observed simultaneously by the highly sensitive ion mass spectrometer.

Branches of electrostatic turbulence inside solitary plasma structures in the auroral ionosphere

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

Golovchanskaya, Irina V.; Kozelov, Boris V.; Chernyshov, Alexander A.

2014-08-15

The excitation of electrostatic turbulence inside space-observed solitary structures is a central topic of this exposition. Three representative solitary structures observed in the topside auroral ionosphere as large-amplitude nonlinear signatures in the electric field and magnetic-field-aligned current on the transverse scales of ∼10{sup 2}–10{sup 3} m are evaluated by the theories of electrostatic wave generation in inhomogeneous background configurations. A quantitative analysis shows that the structures are, in general, effective in destabilizing the inhomogeneous energy-density-driven (IEDD) waves, as well as of the ion acoustic waves modified by a shear in the parallel drift of ions. It is demonstrated that the dominatingmore » branch of the electrostatic turbulence is determined by the interplay of various driving sources inside a particular solitary structure. The sources do not generally act in unison, so that their common effect may be inhibiting for excitation of electrostatic waves of a certain type. In the presence of large magnetic-field-aligned current, which is not correlated to the inhomogeneous electric field inside the structure, the ion-acoustic branch becomes dominating. In other cases, the IEDD instability is more central.« less

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.

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 correlations at the Stern layer: Physics or chemistry?

NASA Astrophysics Data System (ADS)

Travesset, A.; Vangaveti, S.

2009-11-01

We introduce a minimal free energy describing the interaction of charged groups and counterions including both classical electrostatic and specific interactions. The predictions of the model are compared against the standard model for describing ions next to charged interfaces, consisting of Poisson-Boltzmann theory with additional constants describing ion binding, which are specific to the counterion and the interfacial charge ("chemical binding"). It is shown that the "chemical" model can be appropriately described by an underlying "physical" model over several decades in concentration, but the extracted binding constants are not uniquely defined, as they differ depending on the particular observable quantity being studied. It is also shown that electrostatic correlations for divalent (or higher valence) ions enhance the surface charge by increasing deprotonation, an effect not properly accounted within chemical models. The charged phospholipid phosphatidylserine is analyzed as a concrete example with good agreement with experimental results. We conclude with a detailed discussion on the limitations of chemical or physical models for describing the rich phenomenology of charged interfaces in aqueous media and its relevance to different systems with a particular emphasis on phospholipids.

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 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.

Ferroelectric-like hysteresis loop originated from non-ferroelectric effects

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

Kim, Bora; Seol, Daehee; Lee, Shinbuhm

Piezoresponse force microscopy (PFM) has provided advanced nanoscale understanding and analysis of ferroelectric and piezoelectric properties. In PFM-based studies, electromechanical strain induced by the converse piezoelectric effect is probed and analyzed as a PFM response. However, electromechanical strain can also arise from several non-piezoelectric origins that may lead to a misinterpretation of the observed response. Among them, electrostatic interaction can significantly affect the PFM response. Nonetheless, previous studies explored solely the influence of electrostatic interaction on the PFM response under the situation accompanied with polarization switching. Here, we show the influence of the electrostatic interaction in the absence of polarizationmore » switching by using unipolar voltage sweep. The obtained results reveal that the electromechanical neutralization between piezoresponse of polarization and electrostatic interaction plays a crucial role in the observed ferroelectric-like hysteresis loop despite the absence of polarization switching. Furthermore, our work can provide a basic guideline for the correct interpretation of the hysteresis loop in PFM-based studies.« less

Ferroelectric-like hysteresis loop originated from non-ferroelectric effects

DOE PAGES

Kim, Bora; Seol, Daehee; Lee, Shinbuhm; ...

2016-09-06

Piezoresponse force microscopy (PFM) has provided advanced nanoscale understanding and analysis of ferroelectric and piezoelectric properties. In PFM-based studies, electromechanical strain induced by the converse piezoelectric effect is probed and analyzed as a PFM response. However, electromechanical strain can also arise from several non-piezoelectric origins that may lead to a misinterpretation of the observed response. Among them, electrostatic interaction can significantly affect the PFM response. Nonetheless, previous studies explored solely the influence of electrostatic interaction on the PFM response under the situation accompanied with polarization switching. Here, we show the influence of the electrostatic interaction in the absence of polarizationmore » switching by using unipolar voltage sweep. The obtained results reveal that the electromechanical neutralization between piezoresponse of polarization and electrostatic interaction plays a crucial role in the observed ferroelectric-like hysteresis loop despite the absence of polarization switching. Furthermore, our work can provide a basic guideline for the correct interpretation of the hysteresis loop in PFM-based studies.« less

Plasma waves near saturn: initial results from voyager 1.

PubMed

Gurnett, D A; Kurth, W S; Scarf, F L

1981-04-10

The Voyager 1 plasma wave instrument detected many familiar types of plasma waves during the encounter with Saturn, including ion-acoustic waves and electron plasma oscillations upstream of the bow shock, an intense burst of electrostatic noise at the shock, and chorus, hiss, electrostatic electron cyclotron waves, and upper hybrid resonance emissions in the inner magnetosphere. A clocklike Saturn rotational control of low-frequency radio emissions was observed, and evidence was obtained of possible control by the moon Dione. Strong plasma wave emissions were detected at the Titan encounter indicating the presence of a turbulent sheath extending around Titan, and upper hybrid resonance measurements of the electron density show the existence of a dense plume of plasma being carried downstream of Titan by the interaction with the rapidly rotating magnetosphere of Saturn.

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

Maximum Langmuir Fields in Planetary Foreshocks Determined from the Electrostatic Decay Threshold

NASA Technical Reports Server (NTRS)

Robinson, P. A.; Cairns, Iver H.

1995-01-01

Maximum electric fields of Langmuir waves at planetary foreshocks are estimated from the threshold for electrostatic decay, assuming it saturates beam driven growth, and incorporating heliospheric variation of plasma density and temperature. Comparisons with spacecraft observations yields good quantitative agreement. Observations in type 3 radio sources are also in accord with this interpretation. A single mechanism can thus account for the highest fields of beam driven waves in both contexts.

Lunar dust simulant charging and transport under UV irradiation in vacuum: Experiments and numerical modeling

NASA Astrophysics Data System (ADS)

Champlain, A.; Matéo-Vélez, J.-C.; Roussel, J.-F.; Hess, S.; Sarrailh, P.; Murat, G.; Chardon, J.-P.; Gajan, A.

2016-01-01

Recent high-altitude observations, made by the Lunar Dust Experiment (LDEX) experiment on board LADEE orbiting the Moon, indicate that high-altitude (>10 km) dust particle densities are well correlated with interplanetary dust impacts. They show no evidence of high dust density suggested by Apollo 15 and 17 observations and possibly explained by electrostatic forces imposed by the plasma environment and photon irradiation. This paper deals with near-surface conditions below the domain of observation of LDEX where electrostatic forces could clearly be at play. The upper and lower limits of the cohesive force between dusts are obtained by comparing experiments and numerical simulations of dust charging under ultraviolet irradiation in the presence of an electric field and mechanical vibrations. It is suggested that dust ejection by electrostatic forces is made possible by microscopic-scale amplifications due to soil irregularities. At low altitude, this process may be complementary to interplanetary dust impacts.

ISEE 1 observations of electrostatic ion cyclotron waves in association with ion beams on auroral field lines from about 2.5 to 4.5 R(E)

NASA Technical Reports Server (NTRS)

Catell, C. A.; Mozer, F. S.; Roth, I.; Anderson, R. R.; Elphic, R. C.

1991-01-01

Quasi-monochromatic waves at about the hydrogen cyclotron frequency were observed as the ISEE 1 satellite traversed auroral field lines at radial distances of about 2.5-4.5 R(E) near midnight on June 19, 1981. Waves and both lower and higher frequencies were observed at higher altitudes, and possible electrostatic helium cyclotron and oxygen cyclotron waves occurred at lower altitudes. Upflowing hydrogen and oxygen beams and field-aligned currents occurred simultaneously. The features of the waves are most consistent with the current-driven mode. In addition, numerical studies of the linear dispersion relation, using parameters based on the observations, show that both the parallel and oblique two-stream modes and the ion-beam-driven modes were stable while oblique current-driven modes were unstable. The O(+) and H(+) distributions provide evidence for interactions with local electrostatic ion cyclotron waves and for the H(+)-O(+) two-stream instability at altitudes below the satellite.

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.

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.

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.

The Electrostatic Environments of Mars: Atmospheric Discharges

NASA Technical Reports Server (NTRS)

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

2016-01-01

The electrostatic environment on Mars is controlled by its ever present atmospheric dust. Dust devils and dust storms tribocharge this dust. Theoretical studies predict that lightning and/or glow discharges should be present on Mars, but none have been directly observed. Experiments are planned to shed light on this issue.

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.

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

NASA Astrophysics Data System (ADS)

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

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

ELECTROSTATIC SURFACE STRUCTURES OF COAL AND MINERAL PARTICLES

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

NONE

It is the purpose of this research to study electrostatic charging mechanisms related to electrostatic beneficiation of coal with the goal of improving models of separation and the design of electrostatic separators. Areas addressed in this technical progress report are (a) electrostatic beneficiation of Pittsburgh #8 coal powders as a function of grind size and processing atmosphere; (b) the use of fluorescent micro-spheres to probe the charge distribution on the surfaces of coal particles; (c) the use of electrostatic beneficiation to recover unburned carbon from flyash; (d) the development of research instruments for investigation of charging properties of coal. Pittsburghmore » #8 powders were beneficiated as a function of grind size and under three atmosphere conditions: fresh ground in air , after 24 hours of air exposure, or under N2 atmosphere. The feed and processed powders were analyzed by a variety of methods including moisture, ash, total sulfur, and pyritic sulfur content. Mass distribution and cumulative charge of the processed powders were also measured. Fresh ground coal performed the best in electrostatic beneficiation. Results are compared with those of similar studies conducted on Pittsburgh #8 powders last year (April 1, 1997 to September 30, 1997). Polystyrene latex spheres were charged and deposited onto coal particles that had been passed through the electrostatic separator and collected onto insulating filters. The observations suggest bipolar charging of individual particles and patches of charge on the particles which may be associated with particular maceral types or with mineral inclusions. A preliminary investigation was performed on eletrostatic separation of unburned carbon particles from flyash. Approximately 25% of the flyash acquired positive charge in the copper tribocharger. This compares with 75% of fresh ground coal. The negatively charged material had a slightly reduced ash content suggesting some enrichment of carbonaceous material. There was also evidence that the carbon is present at a higher ratio in larger particles than in small particles. An ultraviolet photoelectron counter for use in ambient atmosphere is nearing completion. The counter will be used to measure work functions of different maceral and mineral types in the coal matrix. A Particle Image Analyzer for measuring size and charge of airborne particles is also under contruction and its current status is presented. A charged, monodisperse, droplet generator is also being constructed for calibration of the Particle Image Analyzer and other airborne particle analyzers in our labs.« less

Charged drop dynamics experiment using an electrostatic-acoustic hybrid system

NASA Technical Reports Server (NTRS)

Rhim, W. K.; Chung, S. K.; Trinh, E. H.; Elleman, D. D.

1987-01-01

The design and the performance of an electrostatic-acoustic hybrid system and its application to a charge drop rotation experiment are presented. This system can levitate a charged drop electrostatically and induce drop rotation or oscillation by imposing an acoustic torque or an oscillating acoustic pressure. Using this system, the equilibrium shapes and stability of a rotating charged drop were experimentally investigated. A 3 mm size water drop was rotated as a rigid body and its gyrostatic equilibrium shapes were observed. Families of axisymmetric shapes, two-lobed shapes, and eventual fissioning have been observed. With the assumption of 'effective surface tension' in which the surface charge simply modified the surface tension of neutral liquid, the results agree exceptionally well with the Brown and Scriven's (1980) prediction for uncharged drops.

Field observations of the electrostatic charges of blowing snow in Hokkaido, Japan

NASA Astrophysics Data System (ADS)

Omiya, S.; Sato, A.

2011-12-01

An electrostatic charge of blowing snow may be a contributing factor in the formation of a snow drift and a snow cornice, and changing of the trajectory of own motion. However, detailed electrification characteristics of blowing snow are not known as there are few reports of charge measurements. We carried out field observations of the electrostatic charges of blowing snow in Tobetsu, Hokkaido, Japan in the mid winter of 2011. An anemovane and a thermohygrometer were used for the meteorological observation. Charge-to-mass ratios of blowing snow were obtained by a Faraday-cage, an electrometer and an electric balance. In this observation period, the air temperature during the blowing snow event was -6.5 to -0.5 degree Celsius. The measured charges in this observation were consistent with the previous studies in sign, which is negative, but they were smaller than the previous one. In most cases, the measured values increased with the temperature decrease, which corresponds with previous studies. However, some results contradicted the tendency, and the maximum value was obtained on the day of the highest air temperature of -0.5 degree Celsius. This discrepancy may be explained from the difference of the snow surface condition on observation day. The day when the maximum value was obtained, the snow surface was covered with old snow, and hard. On the other hand, in many other cases, the snow surface was covered with the fresh snow, and soft. Blowing snow particles on the hard surface can travel longer distance than on the soft one. Therefore, it can be surmised that the hard surface makes the blowing snow particles accumulate a lot of negative charges due to a large number of collisions to the surface. This can be supported by the results of the wind tunnel experiments by Omiya and Sato (2011). By this field observation, it was newly suggested that the electrostatic charge of blowing snow are influenced greatly by the difference of the snow surface condition. REFERENCE: Omiya and Sato,(2010):An electrostatic charge measurement of blowing snow particles focusing on collision frequency to the snow surface. AGU Abstract Database, 2010 Fall Meeting.

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.

Electrostatic discharge control for STDN stations

NASA Technical Reports Server (NTRS)

Mckiernan, J.

1983-01-01

This manual defines the requirements and control methods necessary to control the effect of electrostatic discharges that damage or destroy electronic equipment components. Test procedures for measuring the effectiveness of the control are included.

Coaxial charged particle energy analyzer

NASA Technical Reports Server (NTRS)

Kelly, Michael A. (Inventor); Bryson, III, Charles E. (Inventor); Wu, Warren (Inventor)

2011-01-01

A non-dispersive electrostatic energy analyzer for electrons and other charged particles having a generally coaxial structure of a sequentially arranged sections of an electrostatic lens to focus the beam through an iris and preferably including an ellipsoidally shaped input grid for collimating a wide acceptance beam from a charged-particle source, an electrostatic high-pass filter including a planar exit grid, and an electrostatic low-pass filter. The low-pass filter is configured to reflect low-energy particles back towards a charged particle detector located within the low-pass filter. Each section comprises multiple tubular or conical electrodes arranged about the central axis. The voltages on the lens are scanned to place a selected energy band of the accepted beam at a selected energy at the iris. Voltages on the high-pass and low-pass filters remain substantially fixed during the scan.

Plasma waves near Saturn: initial results from Voyager 1. Progress report

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

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

1981-01-31

The Voyager 1 plasma wave instrument detected many familiar types of plasma waves during the encounter with Saturn, including ion-acoustic waves and electron plasma oscillations upstream of the bow shock, an intense burst of electrostatic noise at the shock, and chorus, hiss, electrostatic (n + 1/2)fg waves and UHR emissions in the inner magnetosphere. A clock-like Saturn rotational control of low-frequency radio emissions was observed, and evidence was obtained of possible control by the moon Dione. Strong plasma wave emissions were detected at the Titan encounter indicating the presence of a turbulent sheath extending around Titan, and UHR measurements ofmore » the electron density show the existence of a dense plume of plasma being carried downstream of Titan by the interaction with the rapidly rotating magnetosphere of Saturn.« less

Nonlinear Electrostatic Steepening of Whistler Waves: The Guiding Factors and Dynamics in Inhomogeneous Systems

NASA Astrophysics Data System (ADS)

Agapitov, O.; Drake, J. F.; Vasko, I.; Mozer, F. S.; Artemyev, A.; Krasnoselskikh, V.; Angelopoulos, V.; Wygant, J.; Reeves, G. D.

2018-03-01

Whistler mode chorus waves are particularly important in outer radiation belt dynamics due to their key role in controlling the acceleration and scattering of electrons over a very wide energy range. The efficiency of wave-particle resonant interactions is defined by whistler wave properties which have been described by the approximation of plane linear waves propagating through the cold plasma of the inner magnetosphere. However, recent observations of extremely high-amplitude whistlers suggest the importance of nonlinear wave-particle interactions for the dynamics of the outer radiation belt. Oblique chorus waves observed in the inner magnetosphere often exhibit drastically nonsinusoidal (with significant power in the higher harmonics) waveforms of the parallel electric field, presumably due to the feedback from hot resonant electrons. We have considered the nature and properties of such nonlinear whistler waves observed by the Van Allen Probes and Time History of Events and Macroscale Interactions define during Substorms in the inner magnetosphere, and we show that the significant enhancement of the wave electrostatic component can result from whistler wave coupling with the beam-driven electrostatic mode through the resonant interaction with hot electron beams. Being modulated by a whistler wave, the electron beam generates a driven electrostatic mode significantly enhancing the parallel electric field of the initial whistler wave. We confirm this mechanism using a self-consistent particle-in-cell simulation. The nonlinear electrostatic component manifests properties of the beam-driven electron acoustic mode and can be responsible for effective electron acceleration in the inhomogeneous magnetic field.

Trigger, an active release experiment that stimulated auroral particle precipitation and wave emissions

NASA Technical Reports Server (NTRS)

Holmgren, G.; Bostroem, R.; Kelley, M. C.; Kintner, P. M.; Lundin, R.; Fahleson, U. V.; Bering, E. A.; Sheldon, W. R.

1979-01-01

The experiment design, including a description of the diagnostic and chemical release payload, and the general results are given for an auroral process simulation experiment. A drastic increase of the field aligned charged particle flux was observed over the approximate energy range 10 eV to more than 300 keV, starting about 150 ms after the release and lasting about one second. The is evidence of a second particle burst, starting one second after the release and lasting for tens of seconds, and evidence for a periodic train of particle bursts occurring with a 7.7 second period from 40 to 130 seconds after the release. A transient electric field pulse of 200 mv/m appeared just before the particle flux increase started. Electrostatic wave emissions around 2 kHz, as well as a delayed perturbation of the E-region below the plasma cloud were also observed. Some of the particle observations are interpreted in terms of field aligned electrostatic acceleration a few hundred kilometers above the injected plasma cloud. It is suggested that the acceleration electric field was created by an instability driven by field aligned currents originating in the plasma cloud.

Laboratory investigation of surface processes on airless bodies due to electrostatic dust mobilization

NASA Astrophysics Data System (ADS)

Wang, X.; Hood, N.; Schwan, J.; Hsu, H. W.; Horanyi, M.

2017-12-01

Electrostatic dust mobilization on the surfaces of airless bodies due to direct exposure to solar wind and solar ultraviolet (UV) radiation has been suggested from a number of unusual planetary observations and supported by our recent laboratory experiments. This electrostatic process may have a significant contribution in the evolution of these surfaces in addition to other surface processes, e.g., thermal fragmentation. The critical questions are how this process changes the surface physical characteristics and how efficient this process can be. We report new laboratory experiments that record dust activities as function of the incoming fluxes of photons or energetic electrons over a long exposure time under Earth gravity. Dust is observed to hop and move on the surface, causing the significant change in surface morphology and becoming smoother over time. Our results indicate that the dynamics of dust mobilization may be complicated by temporal charging effect as dust moves. Various sizes and types of dust are examined, showing large effects on dust mobilization. These laboratory data will help us to predict the electrostatic surface processes and estimate their timescales in space conditions.

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

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

Beyond the continuum: how molecular solvent structure affects electrostatics and hydrodynamics at solid-electrolyte interfaces.

PubMed

Bonthuis, Douwe Jan; Netz, Roland R

2013-10-03

Standard continuum theory fails to predict several key experimental results of electrostatic and electrokinetic measurements at aqueous electrolyte interfaces. In order to extend the continuum theory to include the effects of molecular solvent structure, we generalize the equations for electrokinetic transport to incorporate a space dependent dielectric profile, viscosity profile, and non-electrostatic interaction potential. All necessary profiles are extracted from atomistic molecular dynamics (MD) simulations. We show that the MD results for the ion-specific distribution of counterions at charged hydrophilic and hydrophobic interfaces are accurately reproduced using the dielectric profile of pure water and a non-electrostatic repulsion in an extended Poisson-Boltzmann equation. The distributions of Na(+) at both surface types and Cl(-) at hydrophilic surfaces can be modeled using linear dielectric response theory, whereas for Cl(-) at hydrophobic surfaces it is necessary to apply nonlinear response theory. The extended Poisson-Boltzmann equation reproduces the experimental values of the double-layer capacitance for many different carbon-based surfaces. In conjunction with a generalized hydrodynamic theory that accounts for a space dependent viscosity, the model captures the experimentally observed saturation of the electrokinetic mobility as a function of the bare surface charge density and the so-called anomalous double-layer conductivity. The two-scale approach employed here-MD simulations and continuum theory-constitutes a successful modeling scheme, providing basic insight into the molecular origins of the static and kinetic properties of charged surfaces, and allowing quantitative modeling at low computational cost.

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

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

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

Effects of chemical releases by the STS-3 Orbiter on the ionosphere

NASA Technical Reports Server (NTRS)

Pickett, J. S.; Murphy, G. B.; Kurth, W. S.; Goertz, C. K.; Shawhan, S. D.

1983-01-01

The Plasma Diagnostics Package, flown aboard STS-3 as part of the first Shuttle payload (OSS-1), recorded the effects of various chemical releases from the Orbiter. Changes in the plasma environment was observed during flash evaporator system releases, water dumps and maneuvering thruster operations. During flash evaporator operations, broadband Orbiter-generated electrostatic noise was enhanced and plasma density irregularities were observed to increase by 3 to 30 times with a spectrum which rose steeply and peaked below 6 Hz. In the case of water dumps, background electrostatic noise was enhanced at frequencies below about 3 kHz and suppressed at frequencies above 2 kHz. Thruster activity also stimulated electrostatic noise with a spectrum which peaked at approximately 0.5 kHz. In addition, ions with energies up to 1 keV were seen during some thruster events.

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.

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

Optimizing electrostatic field calculations with the Adaptive Poisson-Boltzmann Solver to predict electric fields at protein-protein interfaces II: explicit near-probe and hydrogen-bonding water molecules.

PubMed

Ritchie, Andrew W; Webb, Lauren J

2014-07-17

We have examined the effects of including explicit, near-probe solvent molecules in a continuum electrostatics strategy using the linear Poisson-Boltzmann equation with the Adaptive Poisson-Boltzmann Solver (APBS) to calculate electric fields at the midpoint of a nitrile bond both at the surface of a monomeric protein and when docked at a protein-protein interface. Results were compared to experimental vibrational absorption energy measurements of the nitrile oscillator. We examined three methods for selecting explicit water molecules: (1) all water molecules within 5 Å of the nitrile nitrogen; (2) the water molecule closest to the nitrile nitrogen; and (3) any single water molecule hydrogen-bonding to the nitrile. The correlation between absolute field strengths with experimental absorption energies were calculated and it was observed that method 1 was only an improvement for the monomer calculations, while methods 2 and 3 were not significantly different from the purely implicit solvent calculations for all protein systems examined. Upon taking the difference in calculated electrostatic fields and comparing to the difference in absorption frequencies, we typically observed an increase in experimental correlation for all methods, with method 1 showing the largest gain, likely due to the improved absolute monomer correlations using that method. These results suggest that, unlike with quantum mechanical methods, when calculating absolute fields using entirely classical models, implicit solvent is typically sufficient and additional work to identify hydrogen-bonding or nearest waters does not significantly impact the results. Although we observed that a sphere of solvent near the field of interest improved results for relative field calculations, it should not be consider a panacea for all situations.

ELECTRON ACCELERATION IN PULSAR-WIND TERMINATION SHOCKS: AN APPLICATION TO THE CRAB NEBULA GAMMA-RAY FLARES

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

Kroon, John J.; Becker, Peter A.; Dermer, Charles D.

The γ -ray flares from the Crab Nebula observed by AGILE and Fermi -LAT reaching GeV energies and lasting several days 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. Previous modeling has suggested that the synchrotron limit can be exceeded if the electrons experience electrostatic acceleration, but the resulting spectra do not agree very well with the data. As a result, there are still some important unanswered questions about the detailed particle acceleration and emission processes occurring during the flares. We revisit the problem usingmore » a new analytical approach based on an electron transport equation that includes terms describing electrostatic acceleration, stochastic wave-particle acceleration, shock acceleration, synchrotron losses, and particle escape. An exact solution is obtained for the electron distribution, which is used to compute the associated γ -ray synchrotron spectrum. We find that in our model the γ -ray flares are mainly powered by electrostatic acceleration, but the contributions from stochastic and shock acceleration play an important role in producing the observed spectral shapes. Our model can reproduce the spectra of all the Fermi -LAT and AGILE flares from the Crab Nebula, using magnetic field strengths in agreement with the multi-wavelength observational constraints. We also compute the spectrum and duration of the synchrotron afterglow created by the accelerated electrons, after they escape into the region on the downstream side of the pulsar-wind termination shock. The afterglow is expected to fade over a maximum period of about three weeks after the γ -ray flare.« less

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

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.

Electrostatic formation of liquid marbles and agglomerates

NASA Astrophysics Data System (ADS)

Liyanaarachchi, K. R.; Ireland, P. M.; Webber, G. B.; Galvin, K. P.

2013-07-01

We report observations of a sudden, explosive release of electrostatically charged 100 μm glass beads from a particle bed. These cross an air gap of several millimeters, are engulfed by an approaching pendant water drop, and form a metastable spherical agglomerate on the bed surface. The stability transition of the particle bed is explained by promotion of internal friction by in-plane electrostatic stresses. The novel agglomerates formed this way resemble the "liquid marbles" formed by coating a drop with hydrophobic particles. Complex multi-layered agglomerates may also be produced by this method, with potential industrial, pharmaceutical, environmental, and biological applications.

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.

NEW TECHNOLOGY FOR THE CONTROL OF AEROSOLS FROM STATIONARY SOURCES

EPA Science Inventory

The paper discusses an EPA program to develop new technologies for controlling particulate matter from stationary sources, including both electrostatically augmented fabric filtration (ESFF) and electrostatic precipitators (ESPs). The first generation ESFF system, using an electr...

The Compact Environmental Anomaly Sensor (CEASE) III

NASA Astrophysics Data System (ADS)

Roddy, P.; Hilmer, R. V.; Ballenthin, J.; Lindstrom, C. D.; Barton, D. A.; Ignazio, J. M.; Coombs, J. M.; Johnston, W. R.; Wheelock, A. T.; Quigley, S.

2016-12-01

The Air Force Research Laboratory's Energetic Charged Particle (ECP) sensor project is a comprehensive effort to measure the charged particle environment that causes satellite anomalies. The project includes the Compact Environmental Anomaly Sensor (CEASE) III, building on the flight heritage of prior CEASE designs. CEASE III consists of multiple sensor modules. High energy particles are observed using independent unique silicon detector stacks. In addition CEASE III includes an electrostatic analyzer (ESA) assembly which uses charge multiplication for particle detection. The sensors cover a wide range of proton and electron energies that contribute to satellite anomalies.

Observation of Oscillatory Radial Electric Field Relaxation in a Helical Plasma.

PubMed

Alonso, J A; Sánchez, E; Calvo, I; Velasco, J L; McCarthy, K J; Chmyga, A; Eliseev, L G; Estrada, T; Kleiber, R; Krupnik, L I; Melnikov, A V; Monreal, P; Parra, F I; Perfilov, S; Zhezhera, A I

2017-05-05

Measurements of the relaxation of a zonal electrostatic potential perturbation in a nonaxisymmetric magnetically confined plasma are presented. A sudden perturbation of the plasma equilibrium is induced by the injection of a cryogenic hydrogen pellet in the TJ-II stellarator, which is observed to be followed by a damped oscillation in the electrostatic potential. The waveform of the relaxation is consistent with theoretical calculations of zonal potential relaxation in a nonaxisymmetric magnetic geometry. The turbulent transport properties of a magnetic confinement configuration are expected to depend on the features of the collisionless damping of zonal flows, of which the present Letter is the first direct observation.

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.

LQS_INVERSION v. 1.0

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

Weiss, Chester J

FORTRAN90 codes for inversion of electrostatic geophysical data in terms of three subsurface parameters in a single-well, oilfield environment: the linear charge density of the steel well casing (L), the point charge associated with an induced fracture filled with a conductive contrast agent (Q) and the location of said fracture (s). Theory is described in detail in Weiss et al. (Geophysics, 2016). Inversion strategy is to loop over candidate fracture locations, and at each one minimize the squared Cartesian norm of the data misfit to arrive at L and Q. Solution method is to construct the 2x2 linear system ofmore » normal equations and compute L and Q algebraically. Practical Application: Oilfield environments where observed electrostatic geophysical data can reasonably be assumed by a simple L-Q-s model. This may include hydrofracking operations, as postulated in Weiss et al. (2016), but no field validation examples have so far been provided.« less

Vlasov Simulation of Electrostatic Solitary Structures in Multi-Component Plasmas

NASA Technical Reports Server (NTRS)

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

2012-01-01

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

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.

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

Interpretation of STS-3/plasma diagnostics package results in terms of large space structure plasma interactions

NASA Technical Reports Server (NTRS)

Kurth, W. S.

1984-01-01

The Plasma Diagnostics Package, which was flown aboard STS-3 recorded various chemical releases from the Orbiter. Changes in the plasma environment were observed to occur during Flash Evaporator System (FES) releases, water dumps and maneuvering thruster operations. During flash evaporator operations, broadband Orbiter-generated electro-static noise is enhanced and plasma density irregularity (delta n/N) is observed to increase by as much as 4 times and is strongly peaked below 6 Hz. In the case of water dumps, background electrostatic noise is enhanced or suppressed depending on frequency and Delta N/N is also seen to increase by as much as 4 times. Various changes in the plasma environment are effected by primary and vernier thruster operations. In addition, thruster activity stimulates electrostatic noise with a spectrum which is most intense at frequencies below 10 kHz.

Two Magnets and a Ball Bearing: A Simple Demonstration of the Methods of Images.

ERIC Educational Resources Information Center

Poon, W. C. K.

2003-01-01

Investigates the behavior of a bar magnet with a steel ball bearing on one pole as it approaches another bar magnet. Maps the problem onto electrostatics and explains observations based on the behavior of point charges near an isolated, uncharged sphere. Offers a simple demonstration of the method of images in electrostatics. (Author/NB)

Bernoulli potential in type-I and weak type-II superconductors: II. Surface dipole

NASA Astrophysics Data System (ADS)

Lipavský, P.; Morawetz, K.; Koláček, J.; Mareš, J. J.; Brandt, E. H.; Schreiber, M.

2004-09-01

The Budd-Vannimenus theorem is modified to apply to superconductors in the Meissner state. The obtained identity links the surface value of the electrostatic potential to the density of free energy at the surface which allows one to evaluate the electrostatic potential observed via the capacitive pickup without the explicit solution of the charge profile.

Colorado Upper-Division Electrostatics Diagnostic: A Conceptual Assessment for the Junior Level

ERIC Educational Resources Information Center

Chasteen, Stephanie V.; Pepper, Rachel E.; Caballero, Marcos D.; Pollock, Steven J.; Perkins, Katherine K.

2012-01-01

As part of an effort to systematically improve our junior-level E&M I course, we have developed a tool to assess student conceptual learning of electrostatics at the upper division. Together with a group of physics faculty, we established a list of learning goals for the course that, with results from student observations and interviews,…

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

MMS Observations of Langmuir Collapse and Emission?

NASA Astrophysics Data System (ADS)

Boardsen, S. A.; Che, H.; Wilder, F. D.; Ergun, R.; Le Contel, O.; Gershman, D. J.; Giles, B. L.; Moore, T. E.; Paterson, W.

2017-12-01

Through the two stream instability, electron beams accelerated by solar flares and nanoflares are believed to be responsible for several types of solar radio bursts observed in the corona and interplanetary medium, including flare-associated coronal Type J, U, and Type III radio bursts, and nanoflare-associated weak coronal type III bursts. However the duration of these radio bursts is several orders of magnitude longer than the linear saturation time of the electron two-stream instability. This discrepancy has been a long-standing puzzle. Recently Che et al. [2017, doi: 10.1073/pnas.1614055114] proposed a mechanism in which the plasma coherent emission is maintained by the cyclic Langmuir collapse. Wave coupling between Langmuir waves and electrostatic whistler waves is the key process necessary to close the feedback loop. In the magnetosphere, electron beams are commonly produced by acceleration processes such as magnetic reconnection, during which both whistlers and Langmuir waves are observed and thus provide possible in-situ observations to test and study the emission process near the acceleration source region. The high spatial and time resolution MMS fields and particle data are used to test aspects of this mechanism. In this presentation, we will present some preliminary results from MMS observations of electron beams near a reconnection region. We investigate, in the regions where the electron beams are observed, the coupling between high frequency Langmuir waves and low frequency electrostatic whistler waves, and the associated electromagnetic emissions, along with other possible specific features predicted by this model.

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

PubMed

Wang, Jimin

2017-06-01

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

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

PubMed Central

2017-01-01

Abstract Partial charges of atoms in a molecule and electrostatic potential (ESP) density for that molecule are known to bear a strong correlation. In order to generate a set of point‐field force field parameters for molecular dynamics, Kollman and coworkers have extracted atomic partial charges for each of all 20 amino acids using restrained partial charge‐fitting procedures from theoretical ESP density obtained from condensed‐state quantum mechanics. The magnitude of atomic partial charges for neutral peptide backbone they have obtained is similar to that of partial atomic charges for ionized carboxylate side chain atoms. In this study, the effect of these known atomic partial charges on ESP is examined using computer simulations and compared with the experimental ESP density recently obtained for proteins using electron microscopy. It is found that the observed ESP density maps are most consistent with the simulations that include atomic partial charges of protein backbone. Therefore, atomic partial charges are integral part of atomic properties in protein molecules and should be included in model refinement. PMID:28370507

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.

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.

Charge sniffer for electrostatics demonstrations

NASA Astrophysics Data System (ADS)

Dinca, Mihai P.

2011-02-01

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

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

Dr. Carlos Calle, lead scientist in the Kennedy Space Center's Electrostatics and Surface Physics Laboratory, left, and Jay Phillips, a research physicist, are modifying an electrostatic precipitator to help remove dust from simulated Martian atmosphere. NASA's Journey to Mars requires cutting-edge technologies to solve the problems explorers will face on the Red Planet. Scientists are developing some of the needed solutions by adapting a device to remove the ever-present dust from valuable elements in the Martian atmosphere. Those commodities include oxygen, water and methane.

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

Dr. Carlos Calle, lead scientist in the Kennedy Space Center's Electrostatics and Surface Physics Laboratory, left, and Jay Phillips, a research physicist, are modifying an electrostatic precipitator to help remove dust from a simulated Martian atmosphere. NASA's Journey to Mars requires cutting-edge technologies to solve the problems explorers will face on the Red Planet. Scientists are developing some of the needed solutions by adapting a device to remove the ever-present dust from valuable elements in the Martian atmosphere. Those commodities include oxygen, water and methane.

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

Jay Phillips, a research physicist in the Kennedy Space Center's Electrostatics and Surface Physics Laboratory, left, and Dr. Carlos Calle, lead scientist in the lab, are modifying an electrostatic precipitator to help remove dust from simulated Martian atmosphere. NASA's Journey to Mars requires cutting-edge technologies to solve the problems explorers will face on the Red Planet. Scientists are developing some of the needed solutions by adapting a device to remove the ever-present dust from valuable elements in the Martian atmosphere. Those commodities include oxygen, water and methane.

The role of electrostatics in TrxR electron transfer mechanism: A computational approach.

PubMed

Teixeira, Vitor H; Capacho, Ana Sofia C; Machuqueiro, Miguel

2016-12-01

Thioredoxin reductase (TrxR) is an important enzyme in the control of the intracellular reduced redox environment. It transfers electrons from NADPH to several molecules, including its natural partner, thioredoxin. Although there is a generally accepted model describing how the electrons are transferred along TrxR, which involves a flexible arm working as a "shuttle," the molecular details of such mechanism are not completely understood. In this work, we use molecular dynamics simulations with Poisson-Boltzmann/Monte Carlo pKa calculations to investigate the role of electrostatics in the electron transfer mechanism. We observed that the combination of redox/protonation states of the N-terminal (FAD and Cys59/64) and C-terminal (Cys497/Selenocysteine498) redox centers defines the preferred relative positions and allows for the flexible arm to work as the desired "shuttle." Changing the redox/ionization states of those key players, leads to electrostatic triggers pushing the arm into the pocket when oxidized, and pulling it out, once it has been reduced. The calculated pKa values for Cys497 and Selenocysteine498 are 9.7 and 5.8, respectively, confirming that the selenocysteine is indeed deprotonated at physiological pH. This can be an important advantage in terms of reactivity (thiolate/selenolate are more nucleophilic than thiol/selenol) and ability to work as an electrostatic trigger (the "shuttle" mechanism) and may be the reason why TrxR uses selenium instead of sulfur. Proteins 2016; 84:1836-1843. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

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.

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

Structure and dynamics of hyaluronic acid semidilute solutions: a dielectric spectroscopy study.

PubMed

Vuletić, T; Dolanski Babić, S; Ivek, T; Grgicin, D; Tomić, S; Podgornik, R

2010-07-01

Dielectric spectroscopy is used to investigate fundamental length scales describing the structure of hyaluronic acid sodium salt (Na-HA) semidilute aqueous solutions. In salt-free regime, the length scale of the relaxation mode detected in MHz range scales with HA concentration as c(HA)(-0.5) and corresponds to the de Gennes-Pfeuty-Dobrynin correlation length of polyelectrolytes in semidilute solution. The same scaling was observed for the case of long, genomic DNA. Conversely, the length scale of the mode detected in kilohertz range also varies with HA concentration as c(HA)(-0.5) which differs from the case of DNA (c(DNA)(-0.25)). The observed behavior suggests that the relaxation in the kilohertz range reveals the de Gennes-Dobrynin renormalized Debye screening length, and not the average size of the chain, as the pertinent length scale. Similarly, with increasing added salt the electrostatic contribution to the HA persistence length is observed to scale as the Debye length, contrary to scaling pertinent to the Odijk-Skolnick-Fixman electrostatic persistence length observed in the case of DNA. We argue that the observed features of the kilohertz range relaxation are due to much weaker electrostatic interactions that lead to the absence of Manning condensation as well as a rather high flexibility of HA as compared to DNA.

Kinesin motor protein as an electrostatic ratchet machine

NASA Astrophysics Data System (ADS)

Tsironis, George; Ciudad, Aleix; Sancho, Jose Maria

2008-03-01

Kinesin and related motor proteins utilize ATP fuel to propel themselves along the external surface of microtubules in a processive and directional fashion. We show that the observed step-like motion is possible through time varying charge distributions furnished by the ATP hydrolysis circle while the static charge configuration on the microtuble provides the guide for motion. Thus, while the chemical hydrolysis energy induces appropriate local conformational changes, the motor translational energy is fundamentally electrostatic. Numerical simulations of the mechanical equations of motion show that processivity and directionality are direct consequences of the ATP-dependent electrostatic interaction between the different charge distributions of kinesin and microtubule. Treating proterins as continuous dielectric media and using a Green's function formalism we find analytical expressions for the electrostatic energy in the vicinity of the protein surfaces. We calculate the Bjerrum length in the interior of the protein and analyze its dependence on the charge proximity to the protein interface. We apply these results to kinesin and estimate the pure electrostatic ATP-ADP interaction to be larger than 2k T.

Electrostatic interaction based approach to thrombin detection by surface-enhanced Raman spectroscopy.

PubMed

Hu, Juan; Zheng, Peng-Cheng; Jiang, Jian-Hui; Shen, Guo-Li; Yu, Ru-Qin; Liu, Guo-Kun

2009-01-01

We have developed an electrostatic interaction based biosensor for thrombin detection using surface-enhanced Raman spectroscopy (SERS). This method utilized the electrostatic interaction between capture (thrombin aptamer) and probe (crystal violet, CV) molecules. The specific interaction between thrombin and aptamer could weaken the electrostatic barrier effect from the negative charged aptamer SAMs to the diffusion process of the positively charged CV from the bulk solution to the Au nanoparticle surface. Therefore, the more the bound thrombin, the more the CV molecules near the Au nanoparticle surface and the stronger the observed Raman signal of CV, provided the Raman detections were set at the same time point for each case. This procedure presented a highly specific selectivity and a linear detection of thrombin in the range from 0.1 nM to 10 nM with a detection limit of about 20 pM and realized the thrombin detection in human blood serum solution directly. The electrostatic interaction based technique provides an easy and fast-responding optical platform for a "signal-on" detection of proteins, which might be applicable for the real time assay of proteins.

Electrostatic Plasma Accelerator (EPA)

NASA Technical Reports Server (NTRS)

Brophy, John R.; Aston, Graeme

1989-01-01

The Electrostatic Plasma Accelerator (EPA) is a thruster concept which promises specific impulse levels between low power arcjets and those of the ion engine while retaining the relative simplicity of the arcjet. The EPA thruster produces thrust through the electrostatic acceleration of a moderately dense plasma. No accelerating electrodes are used and the specific impulse is a direct function of the applied discharge voltage and the propellant atomic mass. The goal of the present program is to demonstrate feasibility of the EPA thruster concept through experimental and theoretical investigations of the EPA acceleration mechanism and discharge chamber performance. Experimental investigations will include operating the test bed ion (TBI) engine as an EPA thruster and parametrically varying the thruster geometry and operating conditions to quantify the electrostatic plasma acceleration effect. The theoretical investigations will include the development of a discharge chamber model which describes the relationships between the engine size, plasma properties, and overall performance. For the EPA thruster to be a viable propulsion concept, overall thruster efficiencies approaching 30% with specific impulses approaching 1000 s must be achieved.

Membrane protein properties revealed through data-rich electrostatics calculations

PubMed Central

Guerriero, Christopher J.; Brodsky, Jeffrey L.; Grabe, Michael

2015-01-01

SUMMARY The electrostatic properties of membrane proteins often reveal many of their key biophysical characteristics, such as ion channel selectivity and the stability of charged membrane-spanning segments. The Poisson-Boltzmann (PB) equation is the gold standard for calculating protein electrostatics, and the software APBSmem enables the solution of the PB equation in the presence of a membrane. Here, we describe significant advances to APBSmem including: full automation of system setup, per-residue energy decomposition, incorporation of PDB2PQR, calculation of membrane induced pKa shifts, calculation of non-polar energies, and command-line scripting for large scale calculations. We highlight these new features with calculations carried out on a number of membrane proteins, including the recently solved structure of the ion channel TRPV1 and a large survey of 1,614 membrane proteins of known structure. This survey provides a comprehensive list of residues with large electrostatic penalties for being embedded in the membrane potentially revealing interesting functional information. PMID:26118532

Membrane Protein Properties Revealed through Data-Rich Electrostatics Calculations.

PubMed

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

2015-08-04

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

Liberation characteristic and physical separation of printed circuit board (PCB).

PubMed

Guo, Chao; Wang, Hui; Liang, Wei; Fu, Jiangang; Yi, Xin

2011-01-01

Recycling of printed circuit board (PCB) is an important subject and to which increasing attention is paid, both in treatment of waste as well as recovery of valuable material terms. Precede physical and mechanical method, a good liberation is the premise to further separation. In this study, two-step crushing process is employed, and standard sieve is applied to screen crushed material to different size fractions, moreover, the liberation situation and particles shape in different size are observed. Then metal of the PCB is separated by physical methods, including pneumatic separation, electrostatic separation and magnetic separation, and major metal contents are characterized by inductively coupled plasma emission spectrometry (ICP-AES). Results show that the metal and nonmetal particles of PCB are dissociated completely under the crush size 0.6mm; metal is mainly enriched in the four size fractions between 0.15 and 1.25 mm; relatively, pneumatic separation is suitable for 0.6-0.9 mm size fraction, while the electrostatic separation is suitable for three size fractions that are 0.15-0.3mm, 0.3-0.6mm and 0.9-1.25 mm. The whole process that involves crushing, electrostatic and magnetic separation has formed a closed cycle that can return material and provide salable product. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

Sustained release vancomycin-coated titanium alloy using a novel electrostatic dry powder coating technique may be a potential strategy to reduce implant-related infection.

PubMed

Han, Jing; Yang, Yi; Lu, Junren; Wang, Chenzhong; Xie, Youtao; Zheng, Xuebin; Yao, Zhenjun; Zhang, Chi

2017-07-24

In order to tackle the implant-related infection, a novel way was developed in this study to coat vancomycin particles mixed with controlled release coating materials onto the surface of titanium alloy by using an electrostatic dry powder coating technique. To characterize this sustained release antibacterial coating, surface morphology, in vitro and in vivo drug release were sequentially evaluated. In vitro cytotoxicity was tested by Cell Counting Kit-8 (CCK-8) assay and cytological changes were observed by inverted microscope. The antibacterial properties against MRSA, including a bacterial growth inhibition assay and a colony-counting test by spread plate method were performed. Results indicated that the vancomycin-coated sample was biocompatible for Human osteoblast cell line MG-63 and displayed effective antibacterial ability against MRSA. The coating film was revealed uniform by scanning electron microscopy. Both the in vitro and in vivo drug release kinetics showed an initially high release rate, followed by an extended period of sustained drug release over 7 days. These results suggest that with good biocompatibility and antibacterial ability, the sustained release antibacterial coating of titanium alloy using our novel electrostatic dry powder coating process may provide a promising candidate for the treatment of orthopedic implant-related infection.

An experimental system for controlled exposure of biological samples to electrostatic discharges.

PubMed

Marjanovič, Igor; Kotnik, Tadej

2013-12-01

Electrostatic discharges occur naturally as lightning strokes, and artificially in light sources and in materials processing. When an electrostatic discharge interacts with living matter, the basic physical effects can be accompanied by biophysical and biochemical phenomena, including cell excitation, electroporation, and electrofusion. To study these phenomena, we developed an experimental system that provides easy sample insertion and removal, protection from airborne particles, observability during the experiment, accurate discharge origin positioning, discharge delivery into the sample either through an electric arc with adjustable air gap width or through direct contact, and reliable electrical insulation where required. We tested the system by assessing irreversible electroporation of Escherichia coli bacteria (15 mm discharge arc, 100 A peak current, 0.1 μs zero-to-peak time, 0.2 μs peak-to-halving time), and gene electrotransfer into CHO cells (7 mm discharge arc, 14 A peak current, 0.5 μs zero-to-peak time, 1.0 μs peak-to-halving time). Exposures to natural lightning stroke can also be studied with this system, as due to radial current dissipation, the conditions achieved by a stroke at a particular distance from its entry are also achieved by an artificial discharge with electric current downscaled in magnitude, but similar in time course, correspondingly closer to its entry. © 2013.

Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes.

PubMed

Dey, Arghya; Mondal, Sohidul Islam; Sen, Saumik; Ghosh, Debashree; Patwari, G Naresh

2014-12-14

The red-shifts in the acetylenic C-H stretching vibration of C-H∙∙∙X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy.

On the role of electrostatics in protein-protein interactions

NASA Astrophysics Data System (ADS)

Zhang, Zhe; Witham, Shawn; Alexov, Emil

2011-06-01

The role of electrostatics in protein-protein interactions and binding is reviewed in this paper. A brief outline of the computational modeling, in the framework of continuum electrostatics, is presented and the basic electrostatic effects occurring upon the formation of the complex are discussed. The effect of the salt concentration and pH of the water phase on protein-protein binding free energy is demonstrated which indicates that the increase of the salt concentration tends to weaken the binding, an observation that is attributed to the optimization of the charge-charge interactions across the interface. It is pointed out that the pH-optimum (pH of optimal binding affinity) varies among the protein-protein complexes, and perhaps is a result of their adaptation to particular subcellular compartments. The similarities and differences between hetero- and homo-complexes are outlined and discussed with respect to the binding mode and charge complementarity.

On the role of electrostatics on protein-protein interactions

PubMed Central

Zhang, Zhe; Witham, Shawn; Alexov, Emil

2011-01-01

The role of electrostatics on protein-protein interactions and binding is reviewed in this article. A brief outline of the computational modeling, in the framework of continuum electrostatics, is presented and basic electrostatic effects occurring upon the formation of the complex are discussed. The role of the salt concentration and pH of the water phase on protein-protein binding free energy is demonstrated and indicates that the increase of the salt concentration tends to weaken the binding, an observation that is attributed to the optimization of the charge-charge interactions across the interface. It is pointed out that the pH-optimum (pH of optimal binding affinity) varies among the protein-protein complexes, and perhaps is a result of their adaptation to particular subcellular compartment. At the end, the similarities and differences between hetero- and homo-complexes are outlined and discussed with respect to the binding mode and charge complementarity. PMID:21572182

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.

Fluctuation reduction and enhanced confinement in the MST reversed-field pinch

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

Chapman, Brett Edward

1997-10-01

Plasmas with a factor of ≥3 improvement in energy confinement have been achieved in the MST reversed-field pinch (RFP). These plasmas occur spontaneously, following sawtooth crashes, subject to constraints on, eg, toroidal magnetic field reversal and wall conditioning. Possible contributors to the improved confinement include a reduction of core-resonant, global magnetic fluctuations and a reduction of electrostatic fluctuations over the entire plasma edge. One feature of these plasmas is a region of strong ExB flow shear in the edge. Never before observed in conjunction with enhanced confinement in the RFP, such shear is common in enhanced confinement discharges in tokamaks and stellarators. Another feature of these plasmas is a new type of discrete dynamo event. Like sawtooth crashes, a common form of discrete dynamo, these events correspond to bursts of edge parallel current. The reduction of electrostatic fluctuations in these plasmas occurs within and beyond the region of strong ExB flow shear, similar to what is observed in tokamaks and stellarators. However, the reductions in the MST include fluctuations whose correlation lengths are larger than the width of the shear region. The reduction of the global magnetic fluctuations is most likely due to flattening of the μ=μ 0more » $$\\vec{J}$$∙$$\\vec{B}$$/B 2 profile. Flattening can occur, eg, due to the new type of discrete dynamo event and reduced edge resistivity. Enhanced confinement plasmas are also achieved in the MST when auxiliary current is applied to flatten the μ profile and reduce magnetic fluctuations. Unexpectedly, these plasmas also exhibit a region (broader than in the case above) of strong ExB flow shear in the edge, an edge-wide reduction of electrostatic fluctuations, and the new type of discrete dynamo event. Auxiliary current drive has historically been viewed as the principal route to fusion reactor viability for the RFP.« less

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

PubMed

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

2006-08-18

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

Calculation and observation of thermal electrostatic noise in solar wind plasma

NASA Technical Reports Server (NTRS)

Kellogg, P. J.

1981-01-01

Calculations, both approximate algebraic and numerical, have been carried out for the noise due to electrostatic waves incident on a dipole antenna. The noise is calculated both for a thermal equilibrium plasma, and one having several components at different temperatures. The results are compared with measurements from the IMP-6 satellite. In various frequency ranges, the noise power is dominated by Langmuir oscillations, by electron acoustic waves and by ion acoustic waves. The measurements are consistent with all of these, although the ion waves are not definitely observed, due to interference from shot noise.

Microgravity

NASA Image and Video Library

1998-09-30

The Electrostatic Levitator (ESL) Facility established at Marshall Space Flight Center (MSFC) supports NASA's Microgravity Materials Science Research Program. NASA materials science investigations include ground-based, flight definition and flight projects. Flight definition projects, with demanding science concept review schedules, receive highest priority for scheduling experiment time in the Electrostatic Levitator (ESL) Facility.

MATHEMATICAL MODEL OF ELECTROSTATIC PRECIPITATION FOR THE TEXAS INSTRUMENTS PROGRAMMABLE 59 CALCULATOR

EPA Science Inventory

The report describes a version of EPA's electrostatic precipitator (ESP) model suitable for use on a Texas Instruments Programmable 59 (TI-59) hand-held calculator. This version of the model allows the calculation of ESP collection efficiency, including corrections for non-ideal ...

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

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.

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

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 removal of airborne particulates employing fiber beds

DOEpatents

Postma, Arlin Keith; Winegardner, W. Kevin

1977-01-01

A method and apparatus for collecting aerosol particles. The particles are subjected to an electrostatic charge prior to collection in an electrically resistive fiber bed. The method is applicable to particles in a broad size range, including the difficult-to-remove particles having diameters between 0.01 and 2 microns.

40 CFR 60.2115 - What if I do not use a wet scrubber to comply with the emission limitations?

Code of Federal Regulations, 2012 CFR

2012-07-01

..., activated carbon injection, selective noncatalytic reduction, or an electrostatic precipitator to comply..., activated carbon injection, selective noncatalytic reduction, fabric filter, or an electrostatic precipitator or limit emissions in some other manner, including material balances, to comply with the emission...

40 CFR 60.2115 - What if I do not use a wet scrubber to comply with the emission limitations?

Code of Federal Regulations, 2011 CFR

2011-07-01

..., activated carbon injection, selective noncatalytic reduction, or an electrostatic precipitator to comply..., activated carbon injection, selective noncatalytic reduction, fabric filter, or an electrostatic precipitator or limit emissions in some other manner, including material balances, to comply with the emission...

40 CFR 60.2680 - What if I do not use a wet scrubber to comply with the emission limitations?

Code of Federal Regulations, 2012 CFR

2012-07-01

..., activated carbon injection, selective noncatalytic reduction, or an electrostatic precipitator to comply..., activated carbon injection, selective noncatalytic reduction, fabric filter, or an electrostatic precipitator or limit emissions in some other manner, including mass balances, to comply with the emission...

TI-59 PROGRAMMABLE CALCULATOR PROGRAMS FOR IN-STACK OPACITY, VENTURI SCRUBBERS, AND ELECTROSTATIC PRECIPITATORS

EPA Science Inventory

The report explains the basic concepts of in-stack opacity as measured by in-stack opacity monitors. Also included are calculator programs that model the performance of venturi scrubbers and electrostatic precipitators. The effect of particulate control devices on in-stack opacit...

Dipole-like electrostatic asymmetry of gold nanorods

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

Kim, Ji -Young; Han, Myung -Geun; Lien, Miao -Bin

The symmetry of metallic nanocolloids, typically envisaged as simple geometrical shapes, is rarely questioned. However, the symmetry considerations are so essential for understanding their electronic structure, optical properties, and biological effects that it is important to reexamine these foundational assumptions for nanocolloids. Gold nanorods (AuNRs) are generally presumed to have nearly perfect geometry of a cylinder and therefore are centrosymmetric. We show that AuNRs, in fact, have a built-in electrostatic potential gradient on their surface and behave as noncentrosymmetric particles. The electrostatic potential gradient of 0.11 to 0.07 V/nm along the long axes of nanorods is observed by off-axis electronmore » holography. Kelvin probe microscopy, secondary electron imaging, energy-filtered transmission electron microscopy, and plasmon mapping reveal that the axial asymmetry is associated with a consistently unequal number of cetyltrimethylammonium bromide moieties capping the two ends of the AuNRs. Electrostatic field maps simulated for the AuNR surface reproduce the holography images. The dipole-like surface potential gradient explains previously puzzling discrepancies in nonlinear optical effects originating from the noncentrosymmetric nature of AuNRs. Furthermore, similar considerations of symmetry breaking are applicable to other nanoscale structures for which the property-governing symmetry of the organic shell may differ from the apparent symmetry of inorganic core observed in standard electron microscopy images.« less

Dipole-like electrostatic asymmetry of gold nanorods

DOE PAGES

Kim, Ji -Young; Han, Myung -Geun; Lien, Miao -Bin; ...

2018-02-09

The symmetry of metallic nanocolloids, typically envisaged as simple geometrical shapes, is rarely questioned. However, the symmetry considerations are so essential for understanding their electronic structure, optical properties, and biological effects that it is important to reexamine these foundational assumptions for nanocolloids. Gold nanorods (AuNRs) are generally presumed to have nearly perfect geometry of a cylinder and therefore are centrosymmetric. We show that AuNRs, in fact, have a built-in electrostatic potential gradient on their surface and behave as noncentrosymmetric particles. The electrostatic potential gradient of 0.11 to 0.07 V/nm along the long axes of nanorods is observed by off-axis electronmore » holography. Kelvin probe microscopy, secondary electron imaging, energy-filtered transmission electron microscopy, and plasmon mapping reveal that the axial asymmetry is associated with a consistently unequal number of cetyltrimethylammonium bromide moieties capping the two ends of the AuNRs. Electrostatic field maps simulated for the AuNR surface reproduce the holography images. The dipole-like surface potential gradient explains previously puzzling discrepancies in nonlinear optical effects originating from the noncentrosymmetric nature of AuNRs. Furthermore, similar considerations of symmetry breaking are applicable to other nanoscale structures for which the property-governing symmetry of the organic shell may differ from the apparent symmetry of inorganic core observed in standard electron microscopy images.« less

Extended-range tiltable micromirror

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

Allen, James J; Wiens, Gloria J; Bronson, Jessica R

A tiltable micromirror device is disclosed in which a micromirror is suspended by a progressive linkage with an electrostatic actuator (e.g. a vertical comb actuator or a capacitive plate electrostatic actuator) being located beneath the micromirror. The progressive linkage includes a pair of torsion springs which are connected together to operate similar to a four-bar linkage with spring joints. The progressive linkage provides a non-linear spring constant which can allow the micromirror to be tilted at any angle within its range substantially free from any electrostatic instability or hysteretic behavior.

Electrostatically actuatable light modulating device

DOEpatents

Koehler, Dale R.

1991-01-01

The electrostatically actuatable light modulator utilizes an opaque substrate plate patterned with an array of aperture cells, the cells comprised of physically positionable dielectric shutters and electrostatic actuators. With incorporation of a light source and a viewing screen, a projection display system is effected. Inclusion of a color filter array aligned with the aperture cells accomplishes a color display. The system is realized in terms of a silicon based manufacturing technology allowing fabrication of a high resolution capability in a physically small device which with the utilization of included magnification optics allows both large and small projection displays.

Differential geometry-based solvation and electrolyte transport models for biomolecular modeling: a review

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

Wei, Guowei; Baker, Nathan A.

2016-11-11

This chapter reviews the differential geometry-based solvation and electrolyte transport for biomolecular solvation that have been developed over the past decade. A key component of these methods is the differential geometry of surfaces theory, as applied to the solvent-solute boundary. In these approaches, the solvent-solute boundary is determined by a variational principle that determines the major physical observables of interest, for example, biomolecular surface area, enclosed volume, electrostatic potential, ion density, electron density, etc. Recently, differential geometry theory has been used to define the surfaces that separate the microscopic (solute) domains for biomolecules from the macroscopic (solvent) domains. In thesemore » approaches, the microscopic domains are modeled with atomistic or quantum mechanical descriptions, while continuum mechanics models (including fluid mechanics, elastic mechanics, and continuum electrostatics) are applied to the macroscopic domains. This multiphysics description is integrated through an energy functional formalism and the resulting Euler-Lagrange equation is employed to derive a variety of governing partial differential equations for different solvation and transport processes; e.g., the Laplace-Beltrami equation for the solvent-solute interface, Poisson or Poisson-Boltzmann equations for electrostatic potentials, the Nernst-Planck equation for ion densities, and the Kohn-Sham equation for solute electron density. Extensive validation of these models has been carried out over hundreds of molecules, including proteins and ion channels, and the experimental data have been compared in terms of solvation energies, voltage-current curves, and density distributions. We also propose a new quantum model for electrolyte transport.« less

Infra-sound Signature of Lightning

NASA Astrophysics Data System (ADS)

Arechiga, R. O.; Badillo, E.; Johnson, J.; Edens, H. E.; Rison, W.; Thomas, R. J.

2012-12-01

We have analyzed thunder from over 200 lightning flashes to determine which part of thunder comes from the gas dynamic expansion of portions of the rapidly heated lightning channel and which from electrostatic field changes. Thunder signals were recorded by a ~1500 m network of 3 to 4 4-element microphone deployed in the Magdalena mountains of New Mexico in the summers of 2011 and 2012. The higher frequency infra-sound and audio-range portion of thunder is thought to come from the gas dynamic expansion, and the electrostatic mechanism gives rise to a signature infra-sound pulse peaked at a few Hz. More than 50 signature infra-sound pulses were observed in different portions of the thunder signal, with no preference towards the beginning or the end of the signal. Detection of the signature pulse occurs sometimes only for one array and sometimes for several arrays, which agrees with the theory that the pulse is highly directional (i.e., the recordings have to be in a specific position with respect to the cloud generating the pulse to be able to detect it). The detection of these pulses under quiet wind conditions by different acoustic arrays corroborates the electrostatic mechanism originally proposed by Wilson [1920], further studied by Dessler [1973] and Few [1985], observed by Bohannon [1983] and Balachandran [1979, 1983], and recently analyzed by Pasko [2009]. Pasko employed a model to explain the electrostatic-to-acoustic energy conversion and the initial compression waves in observed infrasonic pulses, which agrees with the observations we have made. We present thunder samples that exhibit signature infra-sound pulses at different times and acoustic source reconstruction to demonstrate the beaming effect.

CFD-ACE+: a CAD system for simulation and modeling of MEMS

NASA Astrophysics Data System (ADS)

Stout, Phillip J.; Yang, H. Q.; Dionne, Paul; Leonard, Andy; Tan, Zhiqiang; Przekwas, Andrzej J.; Krishnan, Anantha

1999-03-01

Computer aided design (CAD) systems are a key to designing and manufacturing MEMS with higher performance/reliability, reduced costs, shorter prototyping cycles and improved time- to-market. One such system is CFD-ACE+MEMS, a modeling and simulation environment for MEMS which includes grid generation, data visualization, graphical problem setup, and coupled fluidic, thermal, mechanical, electrostatic, and magnetic physical models. The fluid model is a 3D multi- block, structured/unstructured/hybrid, pressure-based, implicit Navier-Stokes code with capabilities for multi- component diffusion, multi-species transport, multi-step gas phase chemical reactions, surface reactions, and multi-media conjugate heat transfer. The thermal model solves the total enthalpy from of the energy equation. The energy equation includes unsteady, convective, conductive, species energy, viscous dissipation, work, and radiation terms. The electrostatic model solves Poisson's equation. Both the finite volume method and the boundary element method (BEM) are available for solving Poisson's equation. The BEM method is useful for unbounded problems. The magnetic model solves for the vector magnetic potential from Maxwell's equations including eddy currents but neglecting displacement currents. The mechanical model is a finite element stress/deformation solver which has been coupled to the flow, heat, electrostatic, and magnetic calculations to study flow, thermal electrostatically, and magnetically included deformations of structures. The mechanical or structural model can accommodate elastic and plastic materials, can handle large non-linear displacements, and can model isotropic and anisotropic materials. The thermal- mechanical coupling involves the solution of the steady state Navier equation with thermoelastic deformation. The electrostatic-mechanical coupling is a calculation of the pressure force due to surface charge on the mechanical structure. Results of CFD-ACE+MEMS modeling of MEMS such as cantilever beams, accelerometers, and comb drives are discussed.

Exploring Local Electrostatic Effects with Scanning Probe Microscopy: Implications for Piezoresponse Force Microscopy and Triboelectricity

DOE PAGES

Balke, Nina; Maksymovych, Petro; Jesse, Stephen; ...

2014-09-25

The implementation of contact mode Kelvin probe force microscopy (KPFM) utilizes the electrostatic interactions between tip and sample when the tip and sample are in contact with each other. Surprisingly, the electrostatic forces in contact are large enough to be measured even with tips as stiff as 4.5 N/m. As for traditional non-contact KPFM, the signal depends strongly on electrical properties of the sample, such as the dielectric constant, and the tip-properties, such as the stiffness. Since the tip is in contact with the sample, bias-induced changes in the junction potential between tip and sample can be measured with highermore » lateral and temporal resolution compared to traditional non-contact KPFM. Significant and reproducible variations of tip-surface capacitance are observed and attributed to surface electrochemical phenomena. Lastly, observations of significant surface charge states at zero bias and strong hysteretic electromechanical responses at non-ferroelectric surface have significant implications for fields such as triboelectricity and piezoresponse force microscopy.« less

Amine-Rich Organic Thin Films for Cell Culture: Possible Electrostatic Effects in Cell-Surface Interactions

NASA Astrophysics Data System (ADS)

Wertheimer, Michael R.; St-Georges-Robillard, Amélie; Lerouge, Sophie; Mwale, Fackson; Elkin, Bentsian; Oehr, Christian; Wirges, Werner; Gerhard, Reimund

2012-11-01

In recent communications from these laboratories, we observed that amine-rich thin organic layers are very efficient surfaces for the adhesion of mammalian cells. We prepare such deposits by plasma polymerization at low pressure, atmospheric pressure, or by vacuum-ultraviolet photo-polymerization. More recently, we have also investigated a commercially available material, Parylene diX AM. In this article we first briefly introduce literature relating to electrostatic interactions between cells, proteins, and charged surfaces. We then present certain selected cell-response results that pertain to applications in orthopedic and cardiovascular medicine: we discuss the influence of surface properties on the observed behaviors of two particular cell lines, human U937 monocytes, and Chinese hamster ovary cells. Particular emphasis is placed on possible electrostatic attractive forces due to positively charged R-NH3+ groups and negatively charged proteins and cells, respectively. Experiments carried out with electrets, polymers with high positive or negative surface potentials are added for comparison.

Electrostatic dust detector

DOEpatents

Skinner, Charles H [Lawrenceville, NJ

2006-05-02

An apparatus for detecting dust in a variety of environments which can include radioactive and other hostile environments both in a vacuum and in a pressurized system. The apparatus consists of a grid coupled to a selected bias voltage. The signal generated when dust impacts and shorts out the grid is electrically filtered, and then analyzed by a signal analyzer which is then sent to a counter. For fine grids a correlation can be developed to relate the number of counts observed to the amount of dust which impacts the grid.

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

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.

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.

Magnetic and electrostatic confinement of plasma with tuning of electrostatic field

DOEpatents

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

2008-10-21

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

Magnetic and electrostatic confinement of plasma with tuning of electrostatic field

DOEpatents

Rostoker, Norman; Binderbauer, Michl; Qerushi, Artan; Tahsiri, Hooshang

2006-10-10

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

Magnetic and electrostatic confinement of plasma with tuning of electrostatic field

DOEpatents

Rostoker, Norman; Binderbauer, Michl; Qerushi, Artan; Tahsiri, Hooshang

2006-03-21

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

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

Coherent generation of the terrestrial kilometric radiation by nonlinear beatings between electrostatic waves

NASA Technical Reports Server (NTRS)

Roux, A.; Pellat, R.

1978-01-01

The propagation of electrostatic plasma waves in an inhomogeneous and magnetized plasma was studied. These waves, which are driven unstable by auroral beams of electrons, are shown to suffer a further geometrical amplification while they propagate towards resonances. Simultaneously, their group velocities tend to be aligned with the geomagnetic field. It is shown that the electrostatic energy tends to accumulate at, or near omega sub LH and omega sub UH, the local lower and upper hybrid frequencies. Due to this process, large amplitude electrostatic waves with very narrow spectra are observed near these frequencies at any place along the auroral field lines where intense beam driven instability takes place. These intense quasi-monochromatic electrostatic waves are shown to give rise to an intense electromagnetic radiation. Depending upon the ratio omega sub pe/omega sub ce between the electron plasma frequency and the electron gyro-frequency the electromagnetic wave can be radiated in the ordinary mode (at omega sub UH), or in the extraordinary (at 2 omega sub UH). As the ratio omega sub pe/omega sub ce tends to be rather small, it is shown that the most intense radiation should be boserved at 2 omega sub UH in the extraordinary mode.

Electrostatic interaction between stereocilia: II. Influence on the mechanical properties of the hair bundle.

PubMed

Dolgobrodov, S G; Lukashkin, A N; Russell, I J

2000-12-01

This paper is based on our model [Dolgobrodov et al., 2000. Hear. Res., submitted for publication] in which we examine the significance of the polyanionic surface layers of stereocilia for electrostatic interaction between them. We analyse how electrostatic forces modify the mechanical properties of the sensory hair bundle. Different charge distribution profiles within the glycocalyx are considered. When modelling a typical experiment on bundle stiffness measurements, applying an external force to the tallest row of stereocilia shows that the asymptotic stiffness of the hair bundle for negative displacements is always larger than the asymptotic stiffness for positive displacements. This increase in stiffness is monotonic for even charge distribution and shows local minima when the negative charge is concentrated in a thinner layer within the cell coat. The minima can also originate from the co-operative effect of electrostatic repulsion and inter-ciliary links with non-linear mechanical properties. Existing experimental observations are compared with the predictions of the model. We conclude that the forces of electrostatic interaction between stereocilia may influence the mechanical properties of the hair bundle and, being strongly non-linear, contribute to the non-linear phenomena, which have been recorded from the auditory periphery.

Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation

NASA Astrophysics Data System (ADS)

Kekenes-Huskey, P. M.; Gillette, A. K.; McCammon, J. A.

2014-05-01

The macroscopic diffusion constant for a charged diffuser is in part dependent on (1) the volume excluded by solute "obstacles" and (2) long-range interactions between those obstacles and the diffuser. Increasing excluded volume reduces transport of the diffuser, while long-range interactions can either increase or decrease diffusivity, depending on the nature of the potential. We previously demonstrated [P. M. Kekenes-Huskey et al., Biophys. J. 105, 2130 (2013)] using homogenization theory that the configuration of molecular-scale obstacles can both hinder diffusion and induce diffusional anisotropy for small ions. As the density of molecular obstacles increases, van der Waals (vdW) and electrostatic interactions between obstacle and a diffuser become significant and can strongly influence the latter's diffusivity, which was neglected in our original model. Here, we extend this methodology to include a fixed (time-independent) potential of mean force, through homogenization of the Smoluchowski equation. We consider the diffusion of ions in crowded, hydrophilic environments at physiological ionic strengths and find that electrostatic and vdW interactions can enhance or depress effective diffusion rates for attractive or repulsive forces, respectively. Additionally, we show that the observed diffusion rate may be reduced independent of non-specific electrostatic and vdW interactions by treating obstacles that exhibit specific binding interactions as "buffers" that absorb free diffusers. Finally, we demonstrate that effective diffusion rates are sensitive to distribution of surface charge on a globular protein, Troponin C, suggesting that the use of molecular structures with atomistic-scale resolution can account for electrostatic influences on substrate transport. This approach offers new insight into the influence of molecular-scale, long-range interactions on transport of charged species, particularly for diffusion-influenced signaling events occurring in crowded cellular environments.

Retrofit of waste-to-energy facilities equipped with electrostatic precipitators. Volume II: Field and laboratory reports, Part 2 of 2

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

Rigo, H.G.; Chandler, A.J.

Volume II (part 2 of 2) of ''Retrofit of Waste-to-energy Facilities Equipped with Electrostatic Precipitators'' contains the field and laboratory reports, including: (1) field reports, (2) analytic laboratory reports, (3) chain of custody forms, and (4) TCLP laboratory reports.

Retrofit of waste-to-energy facilities equipped with electrostatic precipitators. Volume II: Field and Laboratory Reports, Part 1 of 2

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

Rigo, H.G.; Chandler, A.J.

1996-04-01

Volume II (part 1 of 2) of ''Retrofit of Waste-to-energy Facilities Equipped with Electrostatic Precipitators'' contains the documentation and raw data, including: (1) field reports, (2) analytic laboratory reports, (3) chain of custody forms, and (4) TCLP laboratory reports.

21 CFR 892.1630 - Electrostatic x-ray imaging system.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Electrostatic x-ray imaging system. 892.1630 Section 892.1630 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES... visible image. This generic type of device may include signal analysis and display equipment, patient and...

21 CFR 892.1630 - Electrostatic x-ray imaging system.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Electrostatic x-ray imaging system. 892.1630 Section 892.1630 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES... visible image. This generic type of device may include signal analysis and display equipment, patient and...

21 CFR 892.1630 - Electrostatic x-ray imaging system.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Electrostatic x-ray imaging system. 892.1630 Section 892.1630 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES... visible image. This generic type of device may include signal analysis and display equipment, patient and...

Internal force field in proteins seen by divergence entropy

PubMed Central

Marchewka, Damian; Banach, Mateusz; Roterman, Irena

2011-01-01

The characteristic distribution of non-binding interactions in a protein is described. It establishes that hydrophobic interactions can be characterized by suitable 3D Gauss functions while electrostatic interactions generally follow a random distribution. The implementation of this observation suggests differentiated optimization procedure for these two types of interactions. The electrostatic interaction may follow traditional energy optimization while the criteria for convergence shall measure the accordance with 3-D Gauss function. PMID:21769190

Electrostatic Surface Modifications to Improve Gene Delivery

PubMed Central

Shmueli, Ron B.; Anderson, Daniel G.

2010-01-01

Importance of the field Gene therapy has the potential to treat a wide variety of diseases including genetic diseases and cancer. Areas covered in this review This review introduces biomaterials used for gene delivery and then focuses on the use of electrostatic surface modifications to improve gene delivery materials. These modifications have been used to stabilize therapeutics in vivo, add cell-specific targeting ligands, and promote controlled release. Coatings of nanoparticles and microparticles as well as non-particulate surface coatings are covered in this review. Electrostatic principles are crucial for the development of multilayer delivery structures fabricated by the layer-by-layer method. What the reader will gain The reader will gain knowledge about the composition of biomaterials used for surface modifications and how these coatings and multilayers can be utilized to improve spatial control and efficiency of delivery. Examples are shown for the delivery of nucleic acids, including DNA and siRNA, to in vitro and in vivo systems. Take home message The versatile and powerful approach of electrostatic coatings and multilayers will lead to the development of enhanced gene therapies. PMID:20201712

On the velocity distribution of ion jets during substorm recovery

NASA Technical Reports Server (NTRS)

Birn, J.; Forbes, T. G.; Hones, E. W., Jr.; Bame, S. J.; Paschmann, G.

1981-01-01

The velocity distribution of earthward jetting ions that are observed principally during substorm recovery by satellites at approximately 15-35 earth radii in the magnetotail is quantitatively compared with two different theoretical models - the 'adiabatic deformation' of an initially flowing Maxwellian moving into higher magnetic field strength (model A) and the field-aligned electrostatic acceleration of an initially nonflowing isotropic Maxwellian including adiabatic deformation effects (model B). The assumption is made that the ions are protons or, more generally, that they consist of only one species. It is found that both models can explain the often observed concave-convex shape of isodensity contours of the distribution function.

Studies of Particle Wake Potentials in Plasmas

NASA Astrophysics Data System (ADS)

Ellis, Ian; Graziani, Frank; Glosli, James; Strozzi, David; Surh, Michael; Richards, David; Decyk, Viktor; Mori, Warren

2011-10-01

Fast Ignition studies require a detailed understanding of electron scattering, stopping, and energy deposition in plasmas with variable values for the number of particles within a Debye sphere. Presently there is disagreement in the literature concerning the proper description of these processes. Developing and validating proper descriptions requires studying the processes using first-principle electrostatic simulations and possibly including magnetic fields. We are using the particle-particle particle-mesh (PPPM) code ddcMD and the particle-in-cell (PIC) code BEPS to perform these simulations. As a starting point in our study, we examine the wake of a particle passing through a plasma in 3D electrostatic simulations performed with ddcMD and with BEPS using various cell sizes. In this poster, we compare the wakes we observe in these simulations with each other and predictions from Vlasov theory. Prepared by LLNL under Contract DE-AC52-07NA27344 and by UCLA under Grant DE-FG52-09NA29552.

Magnetospheric Reconnection in Modified Current-Sheet Equilibria

NASA Astrophysics Data System (ADS)

Newman, D. L.; Goldman, M. V.; Lapenta, G.; Markidis, S.

2012-10-01

Particle simulations of magnetic reconnection in Earth's magnetosphere are frequently initialized with a current-carrying Harris equilibrium superposed on a current-free uniform background plasma. The Harris equilibrium satisfies local charge neutrality, but requires that the sheet current be dominated by the hotter species -- often the ions in Earth's magnetosphere. This constraint is not necessarily consistent with observations. A modified kinetic equilibrium that relaxes this constraint on the currents was proposed by Yamada et al. [Phys. Plasmas., 7, 1781 (2000)] with no background population. These modified equilibria were characterized by an asymptotic converging or diverging electrostatic field normal to the current sheet. By reintroducing the background plasma, we have developed new families of equilibria where the asymptotic fields are suppressed by Debye shielding. Because the electrostatic potential profiles of these new equilibria contain wells and/or barriers capable of spatially isolating different populations of electrons and/or ions, these solutions can be further generalized to include classes of asymmetric kinetic equilibria. Examples of both symmetric and asymmetric equilibria will be presented. The dynamical evolution of these equilibria, when perturbed, will be further explored by means of implicit 2D PIC reconnection simulations, including comparisons with simulations employing standard Harris-equilibrium initializations.

Charged particle dynamics in the presence of non-Gaussian Lévy electrostatic fluctuations

DOE PAGES

Del-Castillo-Negrete, Diego B.; Moradi, Sara; Anderson, Johan

2016-09-01

Full orbit dynamics of charged particles in a 3-dimensional helical magnetic field in the presence of -stable Levy electrostatic fluctuations and linear friction modeling collisional Coulomb drag is studied via Monte Carlo numerical simulations. The Levy fluctuations are introduced to model the effect of non-local transport due to fractional diffusion in velocity space resulting from intermittent electrostatic turbulence. The probability distribution functions of energy, particle displacements, and Larmor radii are computed and showed to exhibit a transition from exponential decay, in the case of Gaussian fluctuations, to power law decay in the case of Levy fluctuations. The absolute value ofmore » the power law decay exponents are linearly proportional to the Levy index. Furthermore, the observed anomalous non-Gaussian statistics of the particles' Larmor radii (resulting from outlier transport events) indicate that, when electrostatic turbulent fluctuations exhibit non-Gaussian Levy statistics, gyro-averaging and guiding centre approximations might face limitations and full particle orbit effects should be taken into account.« less

The electrostatic persistence length of polymers beyond the OSF limit.

PubMed

Everaers, R; Milchev, A; Yamakov, V

2002-05-01

We use large-scale Monte Carlo simulations to test scaling theories for the electrostatic persistence length l(e) of isolated, uniformly charged polymers with Debye-Hückel intrachain interactions in the limit where the screening length kappa(-1) exceeds the intrinsic persistence length of the chains. Our simulations cover a significantly larger part of the parameter space than previous studies. We observe no significant deviations from the prediction l(e) proportional to kappa(-2) by Khokhlov and Khachaturian which is based on applying the Odijk-Skolnick-Fixman theories of electrostatic bending rigidity and electrostatically excluded volume to the stretched de Gennes-Pincus-Velasco-Brochard polyelectrolyte blob chain. A linear or sublinear dependence of the persistence length on the screening length can be ruled out. We show that previous results pointing into this direction are due to a combination of excluded-volume and finite chain length effects. The paper emphasizes the role of scaling arguments in the development of useful representations for experimental and simulation data.

Multipolar Electrostatic Energy Prediction for all 20 Natural Amino Acids Using Kriging Machine Learning.

PubMed

Fletcher, Timothy L; Popelier, Paul L A

2016-06-14

A machine learning method called kriging is applied to the set of all 20 naturally occurring amino acids. Kriging models are built that predict electrostatic multipole moments for all topological atoms in any amino acid based on molecular geometry only. These models then predict molecular electrostatic interaction energies. On the basis of 200 unseen test geometries for each amino acid, no amino acid shows a mean prediction error above 5.3 kJ mol(-1), while the lowest error observed is 2.8 kJ mol(-1). The mean error across the entire set is only 4.2 kJ mol(-1) (or 1 kcal mol(-1)). Charged systems are created by protonating or deprotonating selected amino acids, and these show no significant deviation in prediction error over their neutral counterparts. Similarly, the proposed methodology can also handle amino acids with aromatic side chains, without the need for modification. Thus, we present a generic method capable of accurately capturing multipolar polarizable electrostatics in amino acids.

Electrostatic turbulence in the earth's central plasma sheet produced by multiple-ring ion distributions

NASA Technical Reports Server (NTRS)

Huba, J. D.; Chen, J.; Anderson, R. R.

1992-01-01

Attention is given to a mechanism to generate a broad spectrum of electrostatic turbulence in the quiet time central plasma sheet (CPS) plasma. It is shown theoretically that multiple-ring ion distributions can generate short-wavelength (less than about 1), electrostatic turbulence with frequencies less than about kVj, where Vj is the velocity of the jth ring. On the basis of a set of parameters from measurements made in the CPS, it is found that electrostatic turbulence can be generated with wavenumbers in the range of 0.02 and 1.0, with real frequencies in the range of 0 and 10, and with linear growth rates greater than 0.01 over a broad range of angles relative to the magnetic field (5-90 deg). These theoretical results are compared with wave data from ISEE 1 using an ion distribution function exhibiting multiple-ring structures observed at the same time. The theoretical results in the linear regime are found to be consistent with the wave data.

Effect of externally applied electrostatic fields on the surface topography of ceramide-enriched domains in mixed monolayers with sphingomyelin.

PubMed

Wilke, Natalia; Maggio, Bruno

2006-06-20

Lipid and protein molecules anisotropically oriented at a hydrocarbon-aqueous interface configure a dynamic array of self-organized molecular dipoles. Electrostatic fields applied to lipid monolayers have been shown to induce in-plane migration of domains or phase separation in a homogeneous system. In this work, we have investigated the effect of externally applied electrostatic fields on the distribution of the condensed ceramide-enriched domains in mixed monolayers with sphingomyelin. In these monolayers, the lipids segregate in different phases at all pressures. This allows analyzing by epifluorescence microscopy the effect of the electrostatic field at all lateral pressure because coexistence of lipid domains in condensed state are always present. Our observations indicate that a positive potential applied to an electrode placed over the monolayer promotes a repulsion of the ceramide-enriched domains which is rather insensitive to the film composition, depends inversely on the lateral pressure and exhibits threshold dependence on the in-plane elasticity.

Charged particle dynamics in the presence of non-Gaussian Lévy electrostatic fluctuations

NASA Astrophysics Data System (ADS)

Moradi, Sara; del-Castillo-Negrete, Diego; Anderson, Johan

2016-09-01

Full orbit dynamics of charged particles in a 3-dimensional helical magnetic field in the presence of α-stable Lévy electrostatic fluctuations and linear friction modeling collisional Coulomb drag is studied via Monte Carlo numerical simulations. The Lévy fluctuations are introduced to model the effect of non-local transport due to fractional diffusion in velocity space resulting from intermittent electrostatic turbulence. The probability distribution functions of energy, particle displacements, and Larmor radii are computed and showed to exhibit a transition from exponential decay, in the case of Gaussian fluctuations, to power law decay in the case of Lévy fluctuations. The absolute value of the power law decay exponents is linearly proportional to the Lévy index α. The observed anomalous non-Gaussian statistics of the particles' Larmor radii (resulting from outlier transport events) indicate that, when electrostatic turbulent fluctuations exhibit non-Gaussian Lévy statistics, gyro-averaging and guiding centre approximations might face limitations and full particle orbit effects should be taken into account.

Inductive and electrostatic acceleration in relativistic jet-plasma interactions.

PubMed

Ng, Johnny S T; Noble, Robert J

2006-03-24

We report on the observation of rapid particle acceleration in numerical simulations of relativistic jet-plasma interactions and discuss the underlying mechanisms. The dynamics of a charge-neutral, narrow, electron-positron jet propagating through an unmagnetized electron-ion plasma was investigated using a three-dimensional, electromagnetic, particle-in-cell computer code. The interaction excited magnetic filamentation as well as electrostatic plasma instabilities. In some cases, the longitudinal electric fields generated inductively and electrostatically reached the cold plasma-wave-breaking limit, and the longitudinal momentum of about half the positrons increased by 50% with a maximum gain exceeding a factor of 2 during the simulation period. Particle acceleration via these mechanisms occurred when the criteria for Weibel instability were satisfied.

The Electrostatic Environments of the Moon and Mars: Implications for Human Missions

NASA Technical Reports Server (NTRS)

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

2016-01-01

Lacking a substantial atmosphere, the moon is exposed to the full spectrum of solar radiation as well as to cosmic rays. Electrostatically, the moon is a charged body in a plasma. A Debye sheet meters high on the dayside of the moon and kilometers high on the night side envelops the moon. This sheet isolates the lunar surface from high energy particles coming from the sun. The electrostatic environment on Mars is controlled by its ever present atmospheric dust. Dust devils and dust storms tribocharge this dust. Theoretical studies predict that lightning and/or glow discharges should be present on Mars, but none have been directly observed. Experiments are planned to shed light on this issue.

Two dimensional nonplanar evolution of electrostatic shock waves in pair-ion plasmas

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

Masood, W.; Rizvi, H.

2012-01-15

Electrostatic waves in a two dimensional nonplanar geometry are studied in an unmagnetized, dissipative pair-ion plasma in the presence of weak transverse perturbations. The dissipation in the system is taken into account by incorporating the kinematic viscosity of both positive and negative ions in plasmas. The nonplanar Kadomtsev-Petviashvili-Burgers (KPB) as well as the Burgers Kadomtsev-Petviashvili (Burgers KP) equations are derived using the small amplitude expansion method and the range of applicability of both the equations are discussed. The system under consideration is observed to admit compressive rarefactive shocks. The present study may have relevance to understand the formation of twomore » dimensional nonplanar electrostatic shocks in laboratory plasmas.« less

Advanced hybrid particulate collector and method of operation

DOEpatents

Miller, Stanley J.

1999-01-01

A device and method for controlling particulate air pollutants of the present invention combines filtration and electrostatic collection devices. The invention includes a chamber housing a plurality of rows of filter elements. Between each row of filter elements is a grounded plate. Between the grounded plates and the filter elements are electrode grids for creating electrostatic precipitation zones between each row of filter elements. In this way, when the filter elements are cleaned by pulsing air in a reverse direction, the dust removed from the bags will collect in the electrostatic precipitation zones rather than on adjacent filter elements.

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

In their Swamp Works laboratory at NASA's Kennedy Space Center, Dr. Carlos Calle and Jay Phillips are testing an electrostatic precipitator using dust that closely approximates the make-up of that on Mars. They upgraded their electrostatic precipitator to fully simulate Martian atmosphere by designing and constructing a dust aerosolization pre-chamber. The agency's Journey to Mars requires cutting-edge technologies to solve the problems explorers will face on the Red Planet. Scientists are developing some of the needed solutions by adapting a device to remove the ever-present dust from valuable elements in the Martian atmosphere. Those commodities include oxygen, water and methane.

Advanced hybrid particulate collector and method of operation

DOEpatents

Miller, S.J.

1999-08-17

A device and method for controlling particulate air pollutants of the present invention combines filtration and electrostatic collection devices. The invention includes a chamber housing a plurality of rows of filter elements. Between each row of filter elements is a grounded plate. Between the grounded plates and the filter elements are electrode grids for creating electrostatic precipitation zones between each row of filter elements. In this way, when the filter elements are cleaned by pulsing air in a reverse direction, the dust removed from the bags will collect in the electrostatic precipitation zones rather than on adjacent filter elements. 12 figs.

Electrostatic modification of novel materials

NASA Astrophysics Data System (ADS)

Ahn, C. H.; Bhattacharya, A.; di Ventra, M.; Eckstein, J. N.; Frisbie, C. Daniel; Gershenson, M. E.; Goldman, A. M.; Inoue, I. H.; Mannhart, J.; Millis, Andrew J.; Morpurgo, Alberto F.; Natelson, Douglas; Triscone, Jean-Marc

2006-10-01

Application of the field-effect transistor principle to novel materials to achieve electrostatic doping is a relatively new research area. It may provide the opportunity to bring about modifications of the electronic and magnetic properties of materials through controlled and reversible changes of the carrier concentration without modifying the level of disorder, as occurs when chemical composition is altered. As well as providing a basis for new devices, electrostatic doping can in principle serve as a tool for studying quantum critical behavior, by permitting the ground state of a system to be tuned in a controlled fashion. In this paper progress in electrostatic doping of a number of materials systems is reviewed. These include structures containing complex oxides, such as cuprate superconductors and colossal magnetoresistive compounds, organic semiconductors, in the form of both single crystals and thin films, inorganic layered compounds, single molecules, and magnetic semiconductors. Recent progress in the field is discussed, including enabling experiments and technologies, open scientific issues and challenges, and future research opportunities. For many of the materials considered, some of the results can be anticipated by combining knowledge of macroscopic or bulk properties and the understanding of the field-effect configuration developed during the course of the evolution of conventional microelectronics. However, because electrostatic doping is an interfacial phenomenon, which is largely an unexplored field, real progress will depend on the development of a better understanding of lattice distortion and charge transfer at interfaces in these systems.

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

PubMed

Pethica, Brian A

2007-12-21

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

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

Interaction between Stray Electrostatic Fields and a Charged Free-Falling Test Mass

NASA Astrophysics Data System (ADS)

Antonucci, F.; Cavalleri, A.; Dolesi, R.; Hueller, M.; Nicolodi, D.; Tu, H. B.; Vitale, S.; Weber, W. J.

2012-05-01

We present an experimental analysis of force noise caused by stray electrostatic fields acting on a charged test mass inside a conducting enclosure, a key problem for precise gravitational experiments. Measurement of the average field that couples to the test mass charge, and its fluctuations, is performed with two independent torsion pendulum techniques, including direct measurement of the forces caused by a change in electrostatic charge. We analyze the problem with an improved electrostatic model that, coupled with the experimental data, also indicates how to correctly measure and null the stray field that interacts with the test mass charge. Our measurements allow a conservative upper limit on acceleration noise, of 2(fm/s2)/Hz1/2 for frequencies above 0.1 mHz, for the interaction between stray fields and charge in the LISA gravitational wave mission.

Electromagnetic Waves and Bursty Electron Acceleration: Implications from Freja

NASA Technical Reports Server (NTRS)

Andersson, Laila; Ivchenko, N.; Wahlund, J.-E.; Clemmons, J.; Gustavsson, B.; Eliasson, L.

2000-01-01

Dispersive Alfven wave activity is identified in four dayside auroral oval events measured by the Freja satellite. The events are characterized by ion injection, bursty electron precipitation below about I keV, transverse ion heating and broadband extremely low frequency (ELF) emissions below the lower hybrid cutoff frequency (a few kHz). The broadband emissions are observed to become more electrostatic towards higher frequencies. Large-scale density depletions/cavities, as determined by the Langmuir probe measurements, and strong electrostatic emissions are often observed simultaneously. A correlation study has been carried out between the E- and B-field fluctuations below 64 Hz (the dc instrument's upper threshold) and the characteristics of the precipitating electrons. This study revealed that the energization of electrons is indeed related to the broadband ELF emissions and that the electrostatic component plays a predominant role during very active magnetospheric conditions. Furthermore, the effect of the ELF electromagnetic emissions on the larger scale field-aligned current systems has been investigated, and it is found that such an effect cannot be detected. Instead, the Alfvenic activity creates a local region of field-aligned currents. It is suggested that dispersive Alfven waves set up these local field-aligned current regions and in turn trigger more electrostatic emissions during certain conditions. In these regions ions are transversely heated, and large-scale density depletions/cavities may be created during especially active periods.

Advanced particulate matter control apparatus and methods

DOEpatents

Miller, Stanley J [Grand Forks, ND; Zhuang, Ye [Grand Forks, ND; Almlie, Jay C [East Grand Forks, MN

2012-01-10

Apparatus and methods for collection and removal of particulate matter, including fine particulate matter, from a gas stream, comprising a unique combination of high collection efficiency and ultralow pressure drop across the filter. The apparatus and method utilize simultaneous electrostatic precipitation and membrane filtration of a particular pore size, wherein electrostatic collection and filtration occur on the same surface.

Dynamic simulations of many-body electrostatic self-assembly

NASA Astrophysics Data System (ADS)

Lindgren, Eric B.; Stamm, Benjamin; Maday, Yvon; Besley, Elena; Stace, A. J.

2018-03-01

Two experimental studies relating to electrostatic self-assembly have been the subject of dynamic computer simulations, where the consequences of changing the charge and the dielectric constant of the materials concerned have been explored. One series of calculations relates to experiments on the assembly of polymer particles that have been subjected to tribocharging and the simulations successfully reproduce many of the observed patterns of behaviour. A second study explores events observed following collisions between single particles and small clusters composed of charged particles derived from a metal oxide composite. As before, observations recorded during the course of the experiments are reproduced by the calculations. One study in particular reveals how particle polarizability can influence the assembly process. This article is part of the theme issue `Modern theoretical chemistry'.

Observations of electron gyroharmonic waves and the structure of the Io torus. [jupiter 1 spacecraft radio astronomy experiment

NASA Technical Reports Server (NTRS)

Birmingham, T. J.; Alexander, J. K.; Desch, M. D.; Hubbard, R. F.; Pedersen, B. M.

1980-01-01

Narrow-banded emissions were observed by the Planetary Radio Astronomy experiment on the Voyager 1 spacecraft as it traversed the Io plasma torus. These waves occur between harmonics of the electron gyrofrequency and are the Jovian analogue of electrostatic emissions observed and theoretically studied for the terrestrial magnetosphere. The observed frequencies always include the component near the upper hybrid resonant frequency, (fuhr) but the distribution of the other observed emissions varies in a systematic way with position in the torus. A refined model of the electron density variation, based on identification of the fuhr line, is included. Spectra of the observed waves are analyzed in terms of the linear instability of an electron distribution function consisting of isotropic cold electrons and hot losscone electrons. The positioning of the observed auxiliary harmonics with respect to fuhr is shown to be an indicator of the cold to hot temperature ratio. It is concluded that this ratio increases systematically by an overall factor of perhaps 4 or 5 between the inner and outer portions of the torus.

An Overview of the MSFC Electrostatic Levitation Facility

NASA Technical Reports Server (NTRS)

Rogers, J. R.; Robinson, M. B.; Hyers, R. W.; Savage, L.; Rathz, T.

2000-01-01

Electrostatic levitation (ESL) provides a means to study molten materials in a contamination-free environment, including no contact with a container. Many phenomena important to materials science can be studied in the ESL. Solidification of metals, alloys and undercooled materials represent an important topic for research in the ESL. Recent studies of metals and alloys during solidification in the ESL are reported. Measurements include time, temperature and transformation of metallic glass-forming alloys, solidification velocities, and microstructure. This multimedia report includes a video clip showing processing in the ESL, with descriptions of the different segments in the text.

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.

Electromagnetic Components of Auroral Hiss and Lower Hybrid Waves in the Polar Magnetosphere

NASA Technical Reports Server (NTRS)

Wong, H. K.

1995-01-01

DE-1 has frequently observed waves in the whistler and lower hybrid frequencies range. Besides the electrostatic components, these waves also exhibit electromagnetic components. It is generally believed that these waves are excited by the electron acoustic instability and the electron-beam-driven lower hybrid instability. Because the electron acoustic and the lower hybrid waves are predominately electrostatic waves, they cannot account for the observed electromagnetic components. In this work, it is suggested that these electromagnetic components can be explained by waves that are generated near the resonance cone and that propagate away from the source. The role that these electromagnetic waves can play in particle acceleration processes at low altitude is discussed.

CCE plasma wave observations during the storm of September 4, 5, 1984. [Charge Composition Explorer

NASA Technical Reports Server (NTRS)

Scarf, F. L.

1985-01-01

Near 0700 on September 4, 1984 a series of interplanetary discontinuities arrived at earth when the AMPTE Charge Composition Explorer (CCE) was near apogee. During the next few hours the spacecraft passed in and out of the magnetosheath. At the magnetopause boundary, the CCE wave instrument detected strong electron plasma oscillations, weaker electromagnetic waves at the electron plasma frequency, and broadband electrostatic waves. During the subsequent perigee passes on September 4 and 5, the wave observations of upper hybrid resonance emissions, continuum radiation, electrostatic noise bands and unusual low latitude auroral kilometic radiation were used to monitor significant variations in the magnetospheric characteristics as the main storm phases developed.

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

Improvements to the APBS biomolecular solvation software suite.

PubMed

Jurrus, Elizabeth; Engel, Dave; Star, Keith; Monson, Kyle; Brandi, Juan; Felberg, Lisa E; Brookes, David H; Wilson, Leighton; Chen, Jiahui; Liles, Karina; Chun, Minju; Li, Peter; Gohara, David W; Dolinsky, Todd; Konecny, Robert; Koes, David R; Nielsen, Jens Erik; Head-Gordon, Teresa; Geng, Weihua; Krasny, Robert; Wei, Guo-Wei; Holst, Michael J; McCammon, J Andrew; Baker, Nathan A

2018-01-01

The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that have provided impact in the study of a broad range of chemical, biological, and biomedical applications. APBS addresses the 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 suite of accompanying software since its release in 2001. In this article, 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 pK a values, and an improved web-based visualization tool for viewing electrostatics. © 2017 The Protein Society.

A new smoothing function to introduce long-range electrostatic effects in QM/MM calculations

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

Fang, Dong; Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706; Duke, Robert E.

2015-07-28

A new method to account for long range electrostatic contributions is proposed and implemented for quantum mechanics/molecular mechanics long range electrostatic correction (QM/MM-LREC) calculations. This method involves the use of the minimum image convention under periodic boundary conditions and a new smoothing function for energies and forces at the cutoff boundary for the Coulomb interactions. Compared to conventional QM/MM calculations without long-range electrostatic corrections, the new method effectively includes effects on the MM environment in the primary image from its replicas in the neighborhood. QM/MM-LREC offers three useful features including the avoidance of calculations in reciprocal space (k-space), with themore » concomitant avoidance of having to reproduce (analytically or approximately) the QM charge density in k-space, and the straightforward availability of analytical Hessians. The new method is tested and compared with results from smooth particle mesh Ewald (PME) for three systems including a box of neat water, a double proton transfer reaction, and the geometry optimization of the critical point structures for the rate limiting step of the DNA dealkylase AlkB. As with other smoothing or shifting functions, relatively large cutoffs are necessary to achieve comparable accuracy with PME. For the double-proton transfer reaction, the use of a 22 Å cutoff shows a close reaction energy profile and geometries of stationary structures with QM/MM-LREC compared to conventional QM/MM with no truncation. Geometry optimization of stationary structures for the hydrogen abstraction step by AlkB shows some differences between QM/MM-LREC and the conventional QM/MM. These differences underscore the necessity of the inclusion of the long-range electrostatic contribution.« less

Electrostatics at the membrane define MscL channel mechanosensitivity and kinetics.

PubMed

Zhong, Dalian; Blount, Paul

2014-12-01

The bacterial mechanosensitive channel of large conductance (MscL) serves as a biological emergency release valve, preventing the occurrence of cell lysis caused by acute osmotic stress. Its tractable nature allows it to serve as a paradigm for how a protein can directly sense membrane tension. Although much is known of the importance of the hydrophobicity of specific residues in channel gating, it has remained unclear whether electrostatics at the membrane plays any role. We studied MscL chimeras derived from functionally distinct orthologues: Escherichia coli and Staphylococcus aureus. Dissection of one set led to an observation that changing the charge of a single residue, K101, of E. coli (Ec)-MscL, effects a channel phenotype: when mutated to a negative residue, the channel is less mechanosensitive and has longer open dwell times. Assuming electrostatic interactions, we determined whether they are due to protein-protein or protein-lipid interactions by performing site-directed mutagenesis elsewhere in the protein and reconstituting channels into defined lipids, with and without negative head groups. We found that although both interactions appear to play some role, the primary determinant of the channel phenotype seems to be protein-lipid electrostatics. The data suggest a model for the role of electrostatic interactions in the dynamics of MscL gating. © FASEB.

The effect of actuator nozzle designs on the electrostatic charge generated in pressurised metered dose inhaler aerosols.

PubMed

Chen, Yang; Young, Paul M; Fletcher, David F; Chan, Hak Kim; Long, Edward; Lewis, David; Church, Tanya; Traini, Daniela

2015-04-01

To investigate the influence of different actuator nozzle designs on aerosol electrostatic charges and aerosol performances for pressurised metered dose inhalers (pMDIs). Four actuator nozzle designs (flat, curved flat, cone and curved cone) were manufactured using insulating thermoplastics (PET and PTFE) and conducting metal (aluminium) materials. Aerosol electrostatic profiles of solution pMDI formulations containing propellant HFA 134a with different ethanol concentration and/or model drug beclomethasone dipropionate (BDP) were studied using a modified electrical low-pressure impactor (ELPI) for all actuator designs and materials. The mass of the deposited drug was analysed using high performance liquid chromatography (HPLC). Both curved nozzle designs for insulating PET and PTFE actuators significantly influenced aerosol electrostatics and aerosol performance compared with conducting aluminium actuator, where reversed charge polarity and higher throat deposition were observed with pMDI formulation containing BDP. Results are likely due to the changes in plume geometry caused by the curved edge nozzle designs and the bipolar charging nature of insulating materials. This study demonstrated that actuator nozzle designs could significantly influence the electrostatic charges profiles and aerosol drug deposition pattern of pMDI aerosols, especially when using insulating thermoplastic materials where bipolar charging is more dominant.

Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations

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

Ojeda-May, Pedro; Pu, Jingzhi, E-mail: jpu@iupui.edu

The Wolf summation approach [D. Wolf et al., J. Chem. Phys. 110, 8254 (1999)], in the damped shifted force (DSF) formalism [C. J. Fennell and J. D. Gezelter, J. Chem. Phys. 124, 234104 (2006)], is extended for treating electrostatics in combined quantum mechanical and molecular mechanical (QM/MM) molecular dynamics simulations. In this development, we split the QM/MM electrostatic potential energy function into the conventional Coulomb r{sup −1} term and a term that contains the DSF contribution. The former is handled by the standard machinery of cutoff-based QM/MM simulations whereas the latter is incorporated into the QM/MM interaction Hamiltonian as amore » Fock matrix correction. We tested the resulting QM/MM-DSF method for two solution-phase reactions, i.e., the association of ammonium and chloride ions and a symmetric SN{sub 2} reaction in which a methyl group is exchanged between two chloride ions. The performance of the QM/MM-DSF method was assessed by comparing the potential of mean force (PMF) profiles with those from the QM/MM-Ewald and QM/MM-isotropic periodic sum (IPS) methods, both of which include long-range electrostatics explicitly. For ion association, the QM/MM-DSF method successfully eliminates the artificial free energy drift observed in the QM/MM-Cutoff simulations, in a remarkable agreement with the two long-range-containing methods. For the SN{sub 2} reaction, the free energy of activation obtained by the QM/MM-DSF method agrees well with both the QM/MM-Ewald and QM/MM-IPS results. The latter, however, requires a greater cutoff distance than QM/MM-DSF for a proper convergence of the PMF. Avoiding time-consuming lattice summation, the QM/MM-DSF method yields a 55% reduction in computational cost compared with the QM/MM-Ewald method. These results suggest that, in addition to QM/MM-IPS, the QM/MM-DSF method may serve as another efficient and accurate alternative to QM/MM-Ewald for treating electrostatics in condensed-phase simulations of chemical reactions.« less

Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations.

PubMed

Ojeda-May, Pedro; Pu, Jingzhi

2015-11-07

The Wolf summation approach [D. Wolf et al., J. Chem. Phys. 110, 8254 (1999)], in the damped shifted force (DSF) formalism [C. J. Fennell and J. D. Gezelter, J. Chem. Phys. 124, 234104 (2006)], is extended for treating electrostatics in combined quantum mechanical and molecular mechanical (QM/MM) molecular dynamics simulations. In this development, we split the QM/MM electrostatic potential energy function into the conventional Coulomb r(-1) term and a term that contains the DSF contribution. The former is handled by the standard machinery of cutoff-based QM/MM simulations whereas the latter is incorporated into the QM/MM interaction Hamiltonian as a Fock matrix correction. We tested the resulting QM/MM-DSF method for two solution-phase reactions, i.e., the association of ammonium and chloride ions and a symmetric SN2 reaction in which a methyl group is exchanged between two chloride ions. The performance of the QM/MM-DSF method was assessed by comparing the potential of mean force (PMF) profiles with those from the QM/MM-Ewald and QM/MM-isotropic periodic sum (IPS) methods, both of which include long-range electrostatics explicitly. For ion association, the QM/MM-DSF method successfully eliminates the artificial free energy drift observed in the QM/MM-Cutoff simulations, in a remarkable agreement with the two long-range-containing methods. For the SN2 reaction, the free energy of activation obtained by the QM/MM-DSF method agrees well with both the QM/MM-Ewald and QM/MM-IPS results. The latter, however, requires a greater cutoff distance than QM/MM-DSF for a proper convergence of the PMF. Avoiding time-consuming lattice summation, the QM/MM-DSF method yields a 55% reduction in computational cost compared with the QM/MM-Ewald method. These results suggest that, in addition to QM/MM-IPS, the QM/MM-DSF method may serve as another efficient and accurate alternative to QM/MM-Ewald for treating electrostatics in condensed-phase simulations of chemical reactions.

Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations

NASA Astrophysics Data System (ADS)

Ojeda-May, Pedro; Pu, Jingzhi

2015-11-01

The Wolf summation approach [D. Wolf et al., J. Chem. Phys. 110, 8254 (1999)], in the damped shifted force (DSF) formalism [C. J. Fennell and J. D. Gezelter, J. Chem. Phys. 124, 234104 (2006)], is extended for treating electrostatics in combined quantum mechanical and molecular mechanical (QM/MM) molecular dynamics simulations. In this development, we split the QM/MM electrostatic potential energy function into the conventional Coulomb r-1 term and a term that contains the DSF contribution. The former is handled by the standard machinery of cutoff-based QM/MM simulations whereas the latter is incorporated into the QM/MM interaction Hamiltonian as a Fock matrix correction. We tested the resulting QM/MM-DSF method for two solution-phase reactions, i.e., the association of ammonium and chloride ions and a symmetric SN2 reaction in which a methyl group is exchanged between two chloride ions. The performance of the QM/MM-DSF method was assessed by comparing the potential of mean force (PMF) profiles with those from the QM/MM-Ewald and QM/MM-isotropic periodic sum (IPS) methods, both of which include long-range electrostatics explicitly. For ion association, the QM/MM-DSF method successfully eliminates the artificial free energy drift observed in the QM/MM-Cutoff simulations, in a remarkable agreement with the two long-range-containing methods. For the SN2 reaction, the free energy of activation obtained by the QM/MM-DSF method agrees well with both the QM/MM-Ewald and QM/MM-IPS results. The latter, however, requires a greater cutoff distance than QM/MM-DSF for a proper convergence of the PMF. Avoiding time-consuming lattice summation, the QM/MM-DSF method yields a 55% reduction in computational cost compared with the QM/MM-Ewald method. These results suggest that, in addition to QM/MM-IPS, the QM/MM-DSF method may serve as another efficient and accurate alternative to QM/MM-Ewald for treating electrostatics in condensed-phase simulations of chemical reactions.

Wave Phenomena and Beam-Plasma Interactions at the Magnetopause Reconnection Region

NASA Astrophysics Data System (ADS)

Burch, J. L.; Webster, J. M.; Genestreti, K. J.; Torbert, R. B.; Giles, B. L.; Fuselier, S. A.; Dorelli, J. C.; Rager, A. C.; Phan, T. D.; Allen, R. C.; Chen, L.-J.; Wang, S.; Le Contel, O.; Russell, C. T.; Strangeway, R. J.; Ergun, R. E.; Jaynes, A. N.; Lindqvist, P.-A.; Graham, D. B.; Wilder, F. D.; Hwang, K.-J.; Goldstein, J.

2018-02-01

This paper reports on Magnetospheric Multiscale observations of whistler mode chorus and higher-frequency electrostatic waves near and within a reconnection diffusion region on 23 November 2016. The diffusion region is bounded by crescent-shaped electron distributions and associated dissipation just upstream of the X-line and by magnetic field-aligned currents and electric fields leading to dissipation near the electron stagnation point. Measurements were made southward of the X-line as determined by southward directed ion and electron jets. We show that electrostatic wave generation is due to magnetosheath electron beams formed by the electron jets as they interact with a cold background plasma and more energetic population of magnetospheric electrons. On the magnetosphere side of the X-line the electron beams are accompanied by a strong perpendicular electron temperature anisotropy, which is shown to be the source of an observed rising-tone whistler mode chorus event. We show that the apex of the chorus event and the onset of electrostatic waves coincide with the opening of magnetic field lines at the electron stagnation point.

Tuning calcite morphology and growth acceleration by a rational design of highly stable protein-mimetics

NASA Astrophysics Data System (ADS)

Chen, Chun-Long; Qi, Jiahui; Tao, Jinhui; Zuckermann, Ronald N.; Deyoreo, James J.

2014-09-01

In nature, proteins play a significant role in biomineral formation. One of the ultimate goals of bioinspired materials science is to develop highly stable synthetic molecules that mimic the function of these natural proteins by controlling crystal formation. Here, we demonstrate that both the morphology and the degree of acceleration or inhibition observed during growth of calcite in the presence of peptoids can be rationally tuned by balancing the electrostatic and hydrophobic interactions, with hydrophobic interactions playing the dominant role. While either strong electrostatic or hydrophobic interactions inhibit growth and reduces expression of the {104} faces, correlations between peptoid-crystal binding energies and observed changes in calcite growth indicate moderate electrostatic interactions allow peptoids to weakly adsorb while moderate hydrophobic interactions cause disruption of surface-adsorbed water layers, leading to growth acceleration with retained expression of the {104} faces. This study provides fundamental principles for designing peptoids as crystallization promoters, and offers a straightforward screening method based on macroscopic crystal morphology. Because peptoids are sequence-specific, highly stable, and easily synthesized, peptoid-enhanced crystallization offers a broad range of potential applications.

Tuning calcite morphology and growth acceleration by a rational design of highly stable protein-mimetics

PubMed Central

Chen, Chun-Long; Qi, Jiahui; Tao, Jinhui; Zuckermann, Ronald N.; DeYoreo, James J.

2014-01-01

In nature, proteins play a significant role in biomineral formation. One of the ultimate goals of bioinspired materials science is to develop highly stable synthetic molecules that mimic the function of these natural proteins by controlling crystal formation. Here, we demonstrate that both the morphology and the degree of acceleration or inhibition observed during growth of calcite in the presence of peptoids can be rationally tuned by balancing the electrostatic and hydrophobic interactions, with hydrophobic interactions playing the dominant role. While either strong electrostatic or hydrophobic interactions inhibit growth and reduces expression of the {104} faces, correlations between peptoid-crystal binding energies and observed changes in calcite growth indicate moderate electrostatic interactions allow peptoids to weakly adsorb while moderate hydrophobic interactions cause disruption of surface-adsorbed water layers, leading to growth acceleration with retained expression of the {104} faces. This study provides fundamental principles for designing peptoids as crystallization promoters, and offers a straightforward screening method based on macroscopic crystal morphology. Because peptoids are sequence-specific, highly stable, and easily synthesized, peptoid-enhanced crystallization offers a broad range of potential applications. PMID:25189418

Electrostatic charging of lunar dust

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

Walch, Bob; Horanyi, Mihaly; Robertson, Scott

1998-10-21

Transient dust clouds suspended above the lunar surface were indicated by the horizon glow observed by the Surveyor spacecrafts and the Lunar Ejecta and Meteorite Experiment (Apollo 17), for example. The theoretical models cannot fully explain these observations, but they all suggest that electrostatic charging of the lunar surface due to exposure to the solar wind plasma and UV radiation could result in levitation, transport and ejection of small grains. We report on our experimental studies of the electrostatic charging properties of an Apollo-17 soil sample and two lunar simulants MLS-1 and JSC-1. We have measured their charge after exposingmore » individual grains to a beam of fast electrons with energies in the range of 20{<=}E{<=}90 eV. Our measurements indicate that the secondary electron emission yield of the Apollo-17 sample is intermediate between MLS-1 and JSC-1, closer to that of MLS-1. We will also discuss our plans to develop a laboratory lunar surface model, where time dependent illumination and plasma bombardment will closely emulate the conditions on the surface of the Moon.« less

Plasma waves produced by the xenon ion beam experiment on the Porcupine sounding rocket

NASA Technical Reports Server (NTRS)

Kintner, P. M.; Kelley, M.

1982-01-01

The production of electrostatic ion cyclotron waves by a perpendicular ion beam in the F-region ionosphere is described. The ion beam experiment was part of the Porcupine program and produced electrostatic hydrogen cyclotron waves just above harmonics of the hydrogen cyclotron frequency. The plasma process may be thought of as a magnetized background ionosphere through which an unmagnetized beam is flowing. The dispersion equation for this hypothesis is constructed and solved. Preliminary solutions agree well with the observed plasma waves.

Triboelectrification of active pharmaceutical ingredients: week acids and their salts.

PubMed

Fujinuma, Kenta; Ishii, Yuji; Yashihashi, Yasuo; Yonemochi, Estuo; Sugano, Kiyohiko; Tarada, Katsuhide

2015-09-30

The effect of salt formulation on the electrostatic property of active pharmaceutical ingredients was investigated. The electrostatic property of weak acids (carboxylic acids and amide-enole type acid) and their sodium salts was evaluated by a suction-type Faraday cage meter. Free carboxylic acids showed negative chargeability, whereas their sodium salts showed more positive chargeability than the free acids. However, no such trend was observed for amide-enole type acids. Copyright © 2015 Elsevier B.V. All rights reserved.

Electrostatics effects in granular materials

NASA Astrophysics Data System (ADS)

Sarkar, Saurabh; Chaudhuri, Bodhisattwa

2013-06-01

This purpose of this study is to investigate the role of physiochemical properties and operational conditions in determining the electrostatic interactions between two species on a surface under typical industrial conditions. The variables considered for the study were particle type, particle size and shape, loading mass, surface type, angle of inclination of chute, nature and concentration of additive. Triboelectrification of simple and binary mixtures in a simple hopper and chute geometry was observed to be strongly linked to work function and moisture content of the powdered material.

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.

Electric potential and electric field imaging

NASA Astrophysics Data System (ADS)

Generazio, E. R.

2017-02-01

The technology and methods for remote quantitative imaging of electrostatic potentials and electrostatic fields in and around objects and in free space is presented. Electric field imaging (EFI) technology may be applied to characterize intrinsic or existing electric potentials and electric fields, or an externally generated electrostatic field made be used for "illuminating" volumes to be inspected with EFI. The baseline sensor technology (e-Sensor) and its construction, optional electric field generation (quasi-static generator), and current e-Sensor enhancements (ephemeral e-Sensor) are discussed. Demonstrations for structural, electronic, human, and memory applications are shown. This new EFI capability is demonstrated to reveal characterization of electric charge distribution creating a new field of study embracing areas of interest including electrostatic discharge (ESD) mitigation, crime scene forensics, design and materials selection for advanced sensors, dielectric morphology of structures, tether integrity, organic molecular memory, and medical diagnostic and treatment efficacy applications such as cardiac polarization wave propagation and electromyography imaging.

Interaction between stray electrostatic fields and a charged free-falling test mass.

PubMed

Antonucci, F; Cavalleri, A; Dolesi, R; Hueller, M; Nicolodi, D; Tu, H B; Vitale, S; Weber, W J

2012-05-04

We present an experimental analysis of force noise caused by stray electrostatic fields acting on a charged test mass inside a conducting enclosure, a key problem for precise gravitational experiments. Measurement of the average field that couples to the test mass charge, and its fluctuations, is performed with two independent torsion pendulum techniques, including direct measurement of the forces caused by a change in electrostatic charge. We analyze the problem with an improved electrostatic model that, coupled with the experimental data, also indicates how to correctly measure and null the stray field that interacts with the test mass charge. Our measurements allow a conservative upper limit on acceleration noise, of 2  (fm/s2)/Hz(1/2) for frequencies above 0.1 mHz, for the interaction between stray fields and charge in the LISA gravitational wave mission.

Spectral properties of Langmuir and beam-mode waves observed inside terrestrial foreshock by Cluster spacecraf

NASA Astrophysics Data System (ADS)

Pisa, D.; Soucek, J.; Santolik, O.

2016-12-01

Electrostatic plasma waves are commonly observed in the upstream regions of planetary shocks. Solar wind electrons accelerated at the shock front are reflected back into the solar wind and form electron beams. The electron distribution becomes unstable and electrostatic waves are generated inside the foreshock region. The processes of generation and evolution of electrostatic waves significantly depend on the solar wind plasma conditions and generally exhibit complex behavior. Langmuir waves can be identified as intense narrowband emission at the local plasma frequency and weaker broadband beam-mode waves below and above the plasma frequency deeper in the downstream region. We present a long-term survey of Langmuir and beam-mode waves in the vicinity of the plasma frequency observed upstream of the terrestrial bow shock by the Cluster spacecraft. Using solar wind data and bow shock positions from OMNI, as well as in-situ measurements of interplanetary magnetic field, we have mapped all available spacecraft positions into foreshock coordinates. For a study of plasma waves, we have used spectra and local plasma frequencies obtained from a passive and active mode of the WHISPER instrument. We show a spatial distribution of wave frequencies and spectral widths as a function of foreshock positions and solar wind conditions.

Optimization and experimental validation of electrostatic adhesive geometry

NASA Astrophysics Data System (ADS)

Ruffatto, D.; Shah, J.; Spenko, M.

This paper introduces a method to optimize the electrode geometry of electrostatic adhesives for robotic gripping, attachment, and manipulation applications. Electrostatic adhesion is achieved by applying a high voltage potential, on the order of kV, to a set of electrodes, which generates an electric field. The electric field polarizes the substrate material and creates an adhesion force. Previous attempts at creating electro-static adhesives have shown them to be effective, but researchers have made no effort to optimize the electrode configuration and geometry. We have shown that by optimizing the geometry of the electrode configuration, the electric field strength, and therefore the adhesion force, is enhanced. To accomplish this, Comsol Multiphysics was utilized to evaluate the average electric field generated by a given electrode geometry. Several electrode patterns were evaluated, including parallel conductors, concentric circles, Hilbert curves (a fractal geometry) and spirals. The arrangement of the electrodes in concentric circles with varying electrode widths proved to be the most effective. The most effective sizing was to use the smallest gap spacing allowable coupled with a variable electrode width. These results were experimentally validated on several different surfaces including drywall, wood, tile, glass, and steel. A new manufacturing process allowing for the fabrication of thin, conformal electro-static adhesive pads was utilized. By combining the optimized electrode geometry with the new fabrication process we are able to demonstrate a marked improvement of up to 500% in shear pressure when compared to previously published values.

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

NASA Astrophysics Data System (ADS)

Mansoori Kermani, Maryam; Dehestani, Maryam

2018-06-01

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

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

NASA Astrophysics Data System (ADS)

Mansoori Kermani, Maryam; Dehestani, Maryam

2018-03-01

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

DelPhi web server v2: incorporating atomic-style geometrical figures into the computational protocol.

PubMed

Smith, Nicholas; Witham, Shawn; Sarkar, Subhra; Zhang, Jie; Li, Lin; Li, Chuan; Alexov, Emil

2012-06-15

A new edition of the DelPhi web server, DelPhi web server v2, is released to include atomic presentation of geometrical figures. These geometrical objects can be used to model nano-size objects together with real biological macromolecules. The position and size of the object can be manipulated by the user in real time until desired results are achieved. The server fixes structural defects, adds hydrogen atoms and calculates electrostatic energies and the corresponding electrostatic potential and ionic distributions. The web server follows a client-server architecture built on PHP and HTML and utilizes DelPhi software. The computation is carried out on supercomputer cluster and results are given back to the user via http protocol, including the ability to visualize the structure and corresponding electrostatic potential via Jmol implementation. The DelPhi web server is available from http://compbio.clemson.edu/delphi_webserver.

Spectral broadening of VLF transmitter signals observed on DE 1 - A quasi-electrostatic phenomenon?

NASA Technical Reports Server (NTRS)

Inan, U. S.; Bell, T. F.

1985-01-01

Spectrally broadened VLF transmitter signals are observed on the DE 1 satellite using alternatively both electric and magnetic field sensors. It is found that at times when the electric field component undergoes significant bandwidth expansion (up to about 110 Hz) the magnetic field component has a bandwidth of less than 10 Hz. The results support the theory that the off-carrier components are quasi-electrostatic in nature. Measurement of the absolute E and B field magnitudes of the broadened signals are used to determine the wave Poynting vector. It is found that the observed power levels can be understood without invoking any strong amplification process that operates in conjunction with the spectral broadening. The implications of this finding in distinguishing among the various possible mechanisms for spectral broadening are discussed.

Electrostatic Charging and Particle Interactions in Microscopic Insulating Grains

NASA Astrophysics Data System (ADS)

Lee, Victor

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

Some improvements in DNA interaction calculations

NASA Technical Reports Server (NTRS)

Egan, J. T.; Swissler, T. J.; Rein, R.

1974-01-01

Calculations are made on specific DNA-type complexes using refined expressions for electrostatic and polarization energies. Dispersion and repulsive terms are included in the evaluation of the total interaction energy. It is shown that the expansion of the electrostatic potential to include multipole moments up to octopole is necessary to achieve convergence of first-order energies. Polarization energies are not as sensitive to this expansion. The calculations also support the usefulness of the hard sphere model for DNA hydrogen bonds and indicate how stacking interactions are influenced by second-order energies.

Electrostatically focused addressable field emission array chips (AFEA's) for high-speed massively parallel maskless digital E-beam direct write lithography and scanning electron microscopy

DOEpatents

Thomas, Clarence E.; Baylor, Larry R.; Voelkl, Edgar; Simpson, Michael L.; Paulus, Michael J.; Lowndes, Douglas H.; Whealton, John H.; Whitson, John C.; Wilgen, John B.

2002-12-24

Systems and methods are described for addressable field emission array (AFEA) chips. A method of operating an addressable field-emission array, includes: generating a plurality of electron beams from a pluralitly of emitters that compose the addressable field-emission array; and focusing at least one of the plurality of electron beams with an on-chip electrostatic focusing stack. The systems and methods provide advantages including the avoidance of space-charge blow-up.

Vertical electrostatic force in MEMS cantilever IR sensor

NASA Astrophysics Data System (ADS)

Rezadad, Imen; Boroumand Azad, Javaneh; Smith, Evan M.; Alhasan, Ammar; Peale, Robert E.

2014-06-01

A MEMS cantilever IR detector that repetitively lifts from the surface under the influence of a saw-tooth electrostatic force, where the contact duty cycle is a measure of the absorbed IR radiation, is analyzed. The design is comprised of three parallel conducting plates. Fixed buried and surface plates are held at opposite potential. A moveable cantilever is biased the same as the surface plate. Calculations based on energy methods with position-dependent capacity and electrostatic induction coefficients demonstrate the upward sign of the force on the cantilever and determine the force magnitude. 2D finite element method calculations of the local fields confirm the sign of the force and determine its distribution across the cantilever. The upward force is maximized when the surface plate is slightly larger than the other two. The electrostatic repulsion is compared with Casimir sticking force to determine the maximum useful contact area. MEMS devices were fabricated and the vertical displacement of the cantilever was observed in a number of experiments. The approach may be applied also to MEMS actuators and micromirrors.

Electrostatic effects on clustering and ion dynamics in ionomer melts

NASA Astrophysics Data System (ADS)

Ma, Boran; Nguyen, Trung; Pryamitsyn, Victor; Olvera de La Cruz, Monica

An understanding of the relationships between ionomer chain morphology, dynamics and counter-ion mobility is a key factor in the design of ion conducting membranes for battery applications. In this study, we investigate the influence of electrostatic coupling between randomly charged copolymers (ionomers) and counter ions on the structural and dynamic features of a model system of ionomer melts. Using coarse-grained molecular dynamics (CGMD) simulations, we found that variations in electrostatic coupling strength (Γ) remarkably affect the formation of ion-counter ion clusters, ion mobility, and polymer dynamics for a range of charged monomer fractions. Specifically, an increase in Γ leads to larger ionic cluster sizes and reduced polymer and ion mobility. Analysis of the distribution of the radius of gyration of the clusters further reveals that the fractal dimension of the ion clusters is nearly independent from Γ for all the cases studied. Finally, at sufficiently high values of Γ, we observed arrested heterogeneous ions mobility, which is correlated with an increase in ion cluster size. These findings provide insight into the role of electrostatics in governing the nanostructures formed by ionomers.

Electrostatic interaction between stereocilia: I. Its role in supporting the structure of the hair bundle.

PubMed

Dolgobrodov, S G; Lukashkin, A N; Russell, I J

2000-12-01

This paper provides theoretical estimates for the forces of electrostatic interaction between adjacent stereocilia in auditory and vestibular hair cells. Estimates are given for parameters within the measured physiological range using constraints appropriate for the known geometry of the hair bundle. Stereocilia are assumed to possess an extended, negatively charged surface coat, the glycocalyx. Different charge distribution profiles within the glycocalyx are analysed. It is shown that charged glycocalices on the apical surface of the hair cells can support spatial separation between adjacent stereocilia in the hair bundles through electrostatic repulsion between stereocilia. The charge density profile within the glycocalyx is a crucial parameter. In fact, attraction instead of repulsion between adjacent stereocilia will be observed if the charge of the glycocalyx is concentrated near the membrane of the stereocilia, thereby making this type of charge distribution unlikely. The forces of electrostatic interaction between stereocilia may influence the mechanical properties of the hair bundle and, being strongly non-linear, contribute to the non-linear phenomena that have been recorded from the periphery of the auditory and vestibular systems.

Primary role of the electrostatic contributions in a rational growth of hysteresis loop in spin-crossover Fe(II) complexes.

PubMed

Kepenekian, Mikaël; Le Guennic, Boris; Robert, Vincent

2009-08-19

We report a comprehensive analysis of the hysteresis behavior in a series of well-characterized spin-crossover Fe(II) materials. On the basis of the available X-ray data and multireference CASSCF (complete active space self-consistent field) calculations, we show that the growth of the hysteresis loop is controlled by electrostatic contributions. These environment effects turn out to be deeply modified as the crystal structure changes along the spin transition. Our theoretical inspection demonstrates the synergy between weak bonds and electrostatic interactions in the growth of hysteresis behavior. Quantitatively, it is suggested that the electrostatic contributions significantly enhance the cooperativity factor while weak bonds are determinant in the structuration of the 3D networks. Our picture does not rely on any parametrization but uses the microscopic information to derive an expression for the cooperativity parameter. The calculated values are in very good agreement with the experimental observations. Such inspection can thus be carried out to anticipate the hysteresis behavior of this intriguing class of materials.

Advanced hybrid particulate collector and method of operation

DOEpatents

Miller, Stanley J [Grand Forks, ND

2003-04-08

A device and method for controlling particulate air pollutants of the present invention combines filtration and electrostatic collection devices. The invention includes a chamber housing a plurality of rows of filter elements. Between the rows of filter elements are rows of high voltage discharge electrodes. Between the rows of discharge electrodes and the rows of filter elements are grounded perforated plates for creating electrostatic precipitation zones.

Controlling Charged Particles with Inhomogeneous Electrostatic Fields

NASA Technical Reports Server (NTRS)

Herrero, Federico A. (Inventor)

2016-01-01

An energy analyzer for a charged-particle spectrometer may include a top deflection plate and a bottom deflection plate. The top and bottom deflection plates may be non-symmetric and configured to generate an inhomogeneous electrostatic field when a voltage is applied to one of the top or bottom deflection plates. In some instances, the top and bottom deflection plates may be L-shaped deflection plates.

Mass spectrometer and methods of increasing dispersion between ion beams

DOEpatents

Appelhans, Anthony D.; Olson, John E.; Delmore, James E.

2006-01-10

A mass spectrometer includes a magnetic sector configured to separate a plurality of ion beams, and an electrostatic sector configured to receive the plurality of ion beams from the magnetic sector and increase separation between the ion beams, the electrostatic sector being used as a dispersive element following magnetic separation of the plurality of ion beams. Other apparatus and methods are provided.

Ionizable Nitroxides for Studying Local Electrostatic Properties of Lipid Bilayers and Protein Systems by EPR.

PubMed

Voinov, Maxim A; Smirnov, Alex I

2015-01-01

Electrostatic interactions are known to play a major role in the myriad of biochemical and biophysical processes. Here, we describe biophysical methods to probe local electrostatic potentials of proteins and lipid bilayer systems that are based on an observation of reversible protonation of nitroxides by electron paramagnetic resonance (EPR). Two types of probes are described: (1) methanethiosulfonate derivatives of protonatable nitroxides for highly specific covalent modification of the cysteine's sulfhydryl groups and (2) spin-labeled phospholipids with 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 degree of rotational averaging, thus, allowing the electrostatic contribution to the interfacial pKa of the nitroxide, and, therefore, the local electrostatic potential to be determined. Due to their small molecular volume, these probes cause a minimal perturbation to the protein or lipid system. Covalent attachment secures 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 simulations are outlined. The ionizable nitroxide labels and the nitroxide-labeled phospholipids described so far cover an exceptionally wide range of ca. 2.5-7.0 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 probe calibration, and examples of lipid bilayer surface potential studies, are also described. © 2015 Elsevier Inc. All rights reserved.

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

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

Osmotic regulation of gene action.

PubMed

Douzou, P

1994-03-01

Most reactions involved in gene translation systems are ionic-dependent and may be explained in electrostatic terms. However, a number of observations of equilibria and rate processes making up the overall reactions clearly indicate that there is still an enormous gap between the rough picture of the mechanism of ionic regulation and the detailed behavior of reactions at the molecular level that hold the key to specific mechanisms. The present paper deals with possible osmotic contributions arising from the gel state of gene systems that are complementary to, and interdependent of, electrostatic contributions. This treatment, although still oversimplified, explains many previous observations by relating them to a general osmotic mechanism and suggests experimental approaches to studying the mechanisms of gene regulation in organelle-free and intact systems.

Heating of ions to superthermal energies in the topside ionosphere by electrostatic ion cyclotron waves

NASA Technical Reports Server (NTRS)

Ungstrup, E.; Klumpar, D. M.; Heikkila, W. J.

1979-01-01

The soft particle spectrometer on the Isis 2 spacecraft occasionally observes fluxes of ions moving upward out of the ionosphere in the vicinity of the auroral oval. These ion fluxes are characterized by a sharp pitch angle distribution usually peaked at an angle somewhat greater than 90 deg, indicative of particles heated to a large transverse temperature in a narrow range below the spacecraft. The observations are interpreted in terms of electrostatic ion cyclotron waves, which heat the ions to superthermal energies transverse to the earth's magnetic field. When the transverse energy increases, the repulsive force of the earth's magnetic field, proportional to the particle magnetic moment, repels the particles away from the earth.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, Alfred W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelarating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome.

Planetary exploration with electrically propelled vehicles.

NASA Technical Reports Server (NTRS)

Stuhlinger, E.

1972-01-01

The characteristics of propulsion systems required for carrying out flight missions within the solar system, as desired by planetary physicists and astronomers, are reviewed. It is shown that an encouraging answer to these requirements is available in the form of electrostatic or ion propulsion systems. The design and performance characteristics of an electrostatic thrustor employing an ion source, accelerating electrode, beam neutralizer, and power source are discussed, together with those of the Kaufmann engine (electrostatic thrustor employing bombardment type ionization). More demanding missions which will become feasible with the advent of nuclear-electric power sources (such as the incore thermionic reactor) may include close orbiters around all the planets, and asteroid and cometary missions.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, A.W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelerating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome. 4 figs.

Methods and devices for measuring orbital angular momentum states of electrons

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

McMorran, Benjamin J.; Harvey, Tyler R.

A device for measuring electron orbital angular momentum states in an electron microscope includes the following components aligned sequentially in the following order along an electron beam axis: a phase unwrapper (U) that is a first electrostatic refractive optical element comprising an electrode and a conductive plate, where the electrode is aligned perpendicular to the conductive plate; a first electron lens system (L1); a phase corrector (C) that is a second electrostatic refractive optical element comprising an array of electrodes with alternating electrostatic bias; and a second electron lens system (L2). The phase unwrapper may be a needle electrode ormore » knife edge electrode.« less

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.

Electrostatically confined nanoparticle interactions and dynamics.

PubMed

Eichmann, Shannon L; Anekal, Samartha G; Bevan, Michael A

2008-02-05

We report integrated evanescent wave and video microscopy measurements of three-dimensional trajectories of 50, 100, and 250 nm gold nanoparticles electrostatically confined between parallel planar glass surfaces separated by 350 and 600 nm silica colloid spacers. Equilibrium analyses of single and ensemble particle height distributions normal to the confining walls produce net electrostatic potentials in excellent agreement with theoretical predictions. Dynamic analyses indicate lateral particle diffusion coefficients approximately 30-50% smaller than expected from predictions including the effects of the equilibrium particle distribution within the gap and multibody hydrodynamic interactions with the confining walls. Consistent analyses of equilibrium and dynamic information in each measurement do not indicate any roles for particle heating or hydrodynamic slip at the particle or wall surfaces, which would both increase diffusivities. Instead, lower than expected diffusivities are speculated to arise from electroviscous effects enhanced by the relative extent (kappaa approximately 1-3) and overlap (kappah approximately 2-4) of electrostatic double layers on the particle and wall surfaces. These results demonstrate direct, quantitative measurements and a consistent interpretation of metal nanoparticle electrostatic interactions and dynamics in a confined geometry, which provides a basis for future similar measurements involving other colloidal forces and specific biomolecular interactions.

Defining protein electrostatic recognition processes

NASA Astrophysics Data System (ADS)

Getzoff, Elizabeth D.; Roberts, Victoria A.

The objective is to elucidate the nature of electrostatic forces controlling protein recognition processes by using a tightly coupled computational and interactive computer graphics approach. The TURNIP program was developed to determine the most favorable precollision orientations for two molecules by systematic search of all orientations and evaluation of the resulting electrostatic interactions. TURNIP was applied to the transient interaction between two electron transfer metalloproteins, plastocyanin and cytochrome c. The results suggest that the productive electron-transfer complex involves interaction of the positive region of cytochrome c with the negative patch of plastocyanin, consistent with experimental data. Application of TURNIP to the formation of the stable complex between the HyHEL-5 antibody and its protein antigen lysozyme showed that long-distance electrostatic forces guide lysozyme toward the HyHEL-5 binding site, but do not fine tune its orientation. Determination of docked antigen/antibody complexes requires including steric as well as electrostatic interactions, as was done for the U10 mutant of the anti-phosphorylcholine antibody S107. The graphics program Flex, a convenient desktop workstation program for visualizing molecular dynamics and normal mode motions, was enhanced. Flex now has a user interface and was rewritten to use standard graphics libraries, so as to run on most desktop workstations.

Prospects and challenges of touchless electrostatic detumbling of small bodies

NASA Astrophysics Data System (ADS)

Bennett, Trevor; Stevenson, Daan; Hogan, Erik; Schaub, Hanspeter

2015-08-01

The prospects of touchlessly detumbling a small, multiple meters in size, space object using electrostatic forces are intriguing. Physically capturing an object with a large rotation rate poses significant momentum transfer and collision risks. If the spin rate is reduced to less than 1 deg/s, relative motion sensing and control associated with mechanical docking becomes manageable. In particular, this paper surveys the prospects and challenges of detumbling large debris objects near Geostationary Earth Orbit for active debris remediation, and investigates if such electrostatic tractors are suitable for small asteroids being considered for asteroid retrieval missions. Active charge transfer is used to impart arresting electrostatic torques on such objects, given that they are sufficiently non-spherical. The concept of touchless electrostatic detumbling of space debris is outlined through analysis and experiments and is shown to hold great promise to arrest the rotation within days to weeks. However, even conservatively optimistic simulations of small asteroid detumbling scenarios indicate that such a method could take over a year to arrest the asteroid rotation. The numerical debris detumbling simulation includes a charge transfer model in a space environment, and illustrates how a conducting rocket body could be despun without physical contact.

[Investigations on the effect of an electrostatic field free of residual waves on the motility of the mouse (author's transl)].

PubMed

Fischer, G

1977-08-01

Comparative investigations were carried out concerning the influence on the motility of mice of different electrobioclimatic conditions (electrostatic field with a residual wave component of 1% and a field strength of 4.500 V/m; pure residual wave component: 32 Vs/s, field strength 120 V/m/ss; electrostatic field established by batteries: initial voltage 900 V, field strength 4.500 V/m; shielded from ambient atmospheric electrical fields: damping efficiency at 99%). The Faraday condition represented the control as absolutely objective physical magnitude. All experimental chambers were positioned under Faraday shields. Following a 20 day period of acclimatization to the unaccustomed surroundings for the animals (adaptation period), we established the previously described electrophysical conditions in the cages for a further period of 20 days (experimental period). The lowest values measured during the daily readings were found in the Faraday cage, resp. in the pure electrostatic field, the highest in the DC-field with residual wave component resp. in the residual wave component alone. We draw the following conclusion from the findings: the pure DC-field apparently does not possess those bioclimatologically decisive importance that has been and is being postulated from several sides. Many of the stimtng effects observed and attributed to the electrostatic field are most probably due to the residual wave component resulting from the high-voltage generators employed.

Comparison of calculation and experiment implicates significant electrostatic contributions to the binding stability of barnase and barstar.

PubMed

Dong, Feng; Vijayakumar, M; Zhou, Huan-Xiang

2003-07-01

The contributions of electrostatic interactions to the binding stability of barnase and barstar were studied by the Poisson-Boltzmann model with three different protocols: a), the dielectric boundary specified as the van der Waals (vdW) surface of the protein along with a protein dielectric constant (epsilon (p)) of 4; b), the dielectric boundary specified as the molecular (i.e., solvent-exclusion (SE)) surface along with epsilon (p) = 4; and c), "SE + epsilon (p) = 20." The "vdW + epsilon (p) = 4" and "SE + epsilon (p) = 20" protocols predicted an overall electrostatic stabilization whereas the "SE + epsilon (p) = 4" protocol predicted an overall electrostatic destabilization. The "vdW + epsilon (p) = 4" protocol was most consistent with experiment. It quantitatively reproduced the observed effects of 17 mutations neutralizing charged residues lining the binding interface and the measured coupling energies of six charge pairs across the interface and reasonably rationalized the experimental ionic strength and pH dependences of the binding constant. In contrast, the "SE + epsilon (p) = 4" protocol predicted significantly larger coupling energies of charge pairs whereas the "SE + epsilon (p) = 20" protocol did not predict any pH dependence. This study calls for further scrutiny of the different Poisson-Boltzmann protocols and demonstrates potential danger in drawing conclusions on electrostatic contributions based on a particular calculation protocol.

Molecular dynamics simulation of highly charged proteins: Comparison of the particle-particle particle-mesh and reaction field methods for the calculation of electrostatic interactions

PubMed Central

Gargallo, Raimundo; Hünenberger, Philippe H.; Avilés, Francesc X.; Oliva, Baldomero

2003-01-01

Molecular dynamics (MD) simulations of the activation domain of porcine procarboxypeptidase B (ADBp) were performed to examine the effect of using the particle-particle particle-mesh (P3M) or the reaction field (RF) method for calculating electrostatic interactions in simulations of highly charged proteins. Several structural, thermodynamic, and dynamic observables were derived from the MD trajectories, including estimated entropies and solvation free energies and essential dynamics (ED). The P3M method leads to slightly higher atomic positional fluctuations and deviations from the crystallographic structure, along with somewhat lower values of the total energy and solvation free energy. However, the ED analysis of the system leads to nearly identical results for both simulations. Because of the strong similarity between the results, both methods appear well suited for the simulation of highly charged globular proteins in explicit solvent. However, the lower computational demand of the RF method in the present implementation represents a clear advantage over the P3M method. PMID:14500874

Electrostatic swelling of bicontinuous cubic lipid phases.

PubMed

Tyler, Arwen I I; Barriga, Hanna M G; Parsons, Edward S; McCarthy, Nicola L C; Ces, Oscar; Law, Robert V; Seddon, John M; Brooks, Nicholas J

2015-04-28

Lipid bicontinuous cubic phases have attracted enormous interest as bio-compatible scaffolds for use in a wide range of applications including membrane protein crystallisation, drug delivery and biosensing. One of the major bottlenecks that has hindered exploitation of these structures is an inability to create targeted highly swollen bicontinuous cubic structures with large and tunable pore sizes. In contrast, cubic structures found in vivo have periodicities approaching the micron scale. We have been able to engineer and control highly swollen bicontinuous cubic phases of spacegroup Im3m containing only lipids by (a) increasing the bilayer stiffness by adding cholesterol and (b) inducing electrostatic repulsion across the water channels by addition of anionic lipids to monoolein. By controlling the composition of the ternary mixtures we have been able to achieve lattice parameters up to 470 Å, which is 5 times that observed in pure monoolein and nearly twice the size of any lipidic cubic phase reported previously. These lattice parameters significantly exceed the predicted maximum swelling for bicontinuous cubic lipid structures, which suggest that thermal fluctuations should destroy such phases for lattice parameters larger than 300 Å.

Upper-hybrid wave-driven Alfvenic turbulence in magnetized dusty plasmas

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

Misra, A. P.; Banerjee, S.

The nonlinear dynamics of coupled electrostatic upper-hybrid (UH) and Alfven waves (AWs) is revisited in a magnetized electron-ion plasma with charged dust impurities. A pair of nonlinear equations that describe the interaction of UH wave envelopes (including the relativistic electron mass increase) and the density as well as the compressional magnetic field perturbations associated with the AWs are solved numerically to show that many coherent solitary patterns can be excited and saturated due to modulational instability of unstable UH waves. The evolution of these solitary patterns is also shown to appear in the states of spatiotemporal coherence, temporal as wellmore » as spatiotemporal chaos, due to collision and fusion among the patterns in stochastic motion. Furthermore, these spatiotemporal features are demonstrated by the analysis of wavelet power spectra. It is found that a redistribution of wave energy takes place to higher harmonic modes with small wavelengths, which, in turn, results in the onset of Alfvenic turbulence in dusty magnetoplasmas. Such a scenario can occur in the vicinity of Saturn's magnetosphere as many electrostatic solitary structures have been observed there by the Cassini spacecraft.« less

Electron optics with ballistic graphene junctions

NASA Astrophysics Data System (ADS)

Chen, Shaowen

Electrons transmitted across a ballistic semiconductor junction undergo refraction, analogous to light rays across an optical boundary. A pn junction theoretically provides the equivalent of a negative index medium, enabling novel electron optics such as negative refraction and perfect (Veselago) lensing. In graphene, the linear dispersion and zero-gap bandstructure admit highly transparent pn junctions by simple electrostatic gating, which cannot be achieved in conventional semiconductors. Robust demonstration of these effects, however, has not been forthcoming. Here we employ transverse magnetic focusing to probe propagation across an electrostatically defined graphene junction. We find perfect agreement with the predicted Snell's law for electrons, including observation of both positive and negative refraction. Resonant transmission across the pn junction provides a direct measurement of the angle dependent transmission coefficient, and we demonstrate good agreement with theory. Comparing experimental data with simulation reveals the crucial role played by the effective junction width, providing guidance for future device design. Efforts toward sharper pn junction and possibility of zero field Veselago lensing will also be discussed. This work is supported by the Semiconductor Research Corporations NRI Center for Institute for Nanoelectronics Discovery and Exploration (INDEX).

Electrostatic bio-manipulation for the modification of cellular functions

NASA Astrophysics Data System (ADS)

Washizu, Masao

2013-03-01

The use of electrostatic field effects, including field-induced reversible-breakdown of the membrane and dielectrophoresis (DEP), in microfabricated structures are investigated. With the use of field constriction created by a micro-orifice whose diameter is smaller than the cells, controlled magnitude of pulsed voltage can be applied across the cell membrane regardless of the cell size, shape or orientation. As a result, the breakdown occurs reproducibly and with minimal invasiveness. The breakdown is used for two purposes, electroporation by which foreign substances can be fed into cells, and electrofusion which creates genetic and/or cytoplasmic mixture among two cells. When GFP plasmid is fed into MSC cell, the gene expression started within 2 hours, and finally observed in more than 50% of cells. For cell fusion, several ten percent fusion yield is achieved for most cell types, with the colony formation in several percents. Timing-controlled feeding foreign substances or mixing cellular contents, with high-yield and low-invasiveness, is expected to bring about a new technology for both genetic and epigenetic modifications of cellular functions, in such field as regenerative medicine.

Electrostatic ion instabilities in the presence of parallel currents and transverse electric fields

NASA Technical Reports Server (NTRS)

Ganguli, G.; Palmadesso, P. J.

1988-01-01

The electrostatic ion instabilities are studied for oblique propagation in the presence of magnetic field-aligned currents and transverse localized electric fields in a weakly collisional plasma. The presence of transverse electric fields result in mode excitation for magnetic field aligned current values that are otherwise stable. The electron collisions enhance the growth while ion collisions have a damping effect. These results are discussed in the context of observations of low frequency ion modes in the auroral ionosphere by radar and rocket experiments.

A contribution to the expansion of the applicability of electrostatic forces in micro transducers

NASA Astrophysics Data System (ADS)

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

2017-02-01

Electrostatic actuation is highly efficient at micro and nanoscale. However, large deflection in common electrostatically driven MEMS requires large electrode separation and thus high driving voltages. To offer a solution to this problem we developed a novel electrostatic actuator class, which is based on a force-to-stress transformation in the periodically patterned upper layer of a silicon cantilever beam. We report on advances in the development of such electrostatic bending actuators. Several variants of a CMOS compatible and RoHS-directive compliant fabrication processes to fabricate vertical deflecting beams with a thickness of 30 μm are presented. A concept to extend the actuation space towards lateral deflecting elements is introduced. The fabricated and characterized vertical deflecting cantilever beam variants make use of a 0.2 μm electrode gap and achieve deflections of up to multiples of this value. Simulation results based on an FE-model applied to calculate the voltage dependent curvature for various actuator cell designs are presented. The calculated values show very good agreement with the experimentally determined voltage controlled actuation curvatures. Particular attention was paid to parasitic effects induced by small, sub micrometer, electrode gaps. This includes parasitic currents between the two electrode layers. No experimental hint was found that such effects significantly influence the curvature for a control voltage up to 45 V. The paper provides an outlook for the applicability of the technology based on specifically designed and fabricated actuators which allow for a large variety of motion patterns including out-of-plane and in-plane motion as well as membrane deformation and linear motion.

Electric Field Imaging Project

NASA Technical Reports Server (NTRS)

Wilcutt, Terrence; Hughitt, Brian; Burke, Eric; Generazio, Edward

2016-01-01

NDE historically has focused technology development in propagating wave phenomena with little attention to the field of electrostatics and emanating electric fields. This work is intended to bring electrostatic imaging to the forefront of new inspection technologies, and new technologies in general. The specific goals are to specify the electric potential and electric field including the electric field spatial components emanating from, to, and throughout volumes containing objects or in free space.

Study of Saturn Electrostatic Discharges in a Wide Range of Timec SCALES

NASA Astrophysics Data System (ADS)

Mylostna, K.; Zakharenko, V.; Konovalenko, A.; Kolyadin, V.; Zarka, P.; Griemeier, J.-M.; Litvinenko, G.; Sidorchuk, M.; Rucker, H.; Fischer, G.; Cecconi, B.; Coffre, A.; Denis, L.; Nikolaenko, V.; Shevchenko, V.

Saturn Electrostatic discharges (SED) are sporadic broadband impulsive radio bursts associated with lightning in Saturnian atmosphere. After 25 years of space investigations in 2006 the first successful observations of SED on the UTR-2 radio telescope were carried out [1]. Since 2007 a long-term program of ED search and study in the Solar system has started. As a part of this program the unique observations with high time resolution were taken in 2010. New possibilities of UTR-2 radio telescope allowed to provide a long-period observations and study with high temporal resolution. This article presents the results of SED study in a wide range of time scales: from seconds to microseconds. For the first time there were obtained a low frequency spectrum of SED. We calculated flux densities of individual bursts at the maximum achievable time resolution. Flux densities of most intensive bursts reach 4200 Jy.

Electron Jet of Asymmetric Reconnection

NASA Technical Reports Server (NTRS)

Khotyaintsev, Yu. V.; Graham, D. B.; Norgren, C.; Eriksson, E.; Li, W.; Johlander, A.; Vaivads, A.; Andre, M.; Pritchett, P. L.; Retino, A.;

Agglutination of like-charged red blood cells induced by binding of beta2-glycoprotein I to outer cell surface.

PubMed

Lokar, Marusa; Urbanija, Jasna; Frank, Mojca; Hägerstrand, Henry; Rozman, Blaz; Bobrowska-Hägerstrand, Malgorzata; Iglic, Ales; Kralj-Iglic, Veronika

2008-08-01

Plasma protein-mediated attractive interaction between membranes of red blood cells (RBCs) and phospholipid vesicles was studied. It is shown that beta(2)-glycoprotein I (beta(2)-GPI) may induce RBC discocyte-echinocyte-spherocyte shape transformation and subsequent agglutination of RBCs. Based on the observed beta(2)-GPI-induced RBC cell shape transformation it is proposed that the hydrophobic portion of beta(2)-GPI molecule protrudes into the outer lipid layer of the RBC membrane and increases the area of this layer. It is also suggested that the observed agglutination of RBCs is at least partially driven by an attractive force which is of electrostatic origin and depends on the specific molecular shape and internal charge distribution of membrane-bound beta(2)-GPI molecules. The suggested beta(2)-GPI-induced attractive electrostatic interaction between like-charged RBC membrane surfaces is qualitatively explained by using a simple mathematical model within the functional density theory of the electric double layer, where the electrostatic attraction between the positively charged part of the first domains of bound beta(2)-GPI molecules and negatively charged glycocalyx of the adjacent RBC membrane is taken into account.

Existence domain of electrostatic solitary waves in the lunar wake

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Electrostatic Solitary Waves in the Solar Wind: Evidence for Instability at Solar Wind Current Sheets

NASA Technical Reports Server (NTRS)

Malaspina, David M.; Newman, David L.; Wilson, Lynn Bruce; Goetz, Keith; Kellogg, Paul J.; Kerstin, Kris

2013-01-01

A strong spatial association between bipolar electrostatic solitary waves (ESWs) and magnetic current sheets (CSs) in the solar wind is reported here for the first time. This association requires that the plasma instabilities (e.g., Buneman, electron two stream) which generate ESWs are preferentially localized to solar wind CSs. Distributions of CS properties (including shear angle, thickness, solar wind speed, and vector magnetic field change) are examined for differences between CSs associated with ESWs and randomly chosen CSs. Possible mechanisms for producing ESW-generating instabilities at solar wind CSs are considered, including magnetic reconnection.

Electromagnetic Compatibility for the Space Shuttle

NASA Technical Reports Server (NTRS)

Scully, Robert C.

2004-01-01

This slide presentation reviews the Space Shuttle electromagnetic compatibility (EMC). It includes an overview of the design of the shuttle with the areas that are of concern for the electromagnetic compatibility. It includes discussion of classical electromagnetic interference (EMI) and the work performed to control the electromagnetic interference. Another area of interest is electrostatic charging and the threat of electrostatic discharge and the attempts to reduce damage to the Shuttle from these possible hazards. The issue of electrical bonding is als reviewed. Lastly the presentation reviews the work performed to protect the shuttle from lightning, both in flight and on the ground.

Nonlocal Poisson-Fermi model for ionic solvent.

PubMed

Xie, Dexuan; Liu, Jinn-Liang; Eisenberg, Bob

2016-07-01

We propose a nonlocal Poisson-Fermi model for ionic solvent that includes ion size effects and polarization correlations among water molecules in the calculation of electrostatic potential. It includes the previous Poisson-Fermi models as special cases, and its solution is the convolution of a solution of the corresponding nonlocal Poisson dielectric model with a Yukawa-like kernel function. The Fermi distribution is shown to be a set of optimal ionic concentration functions in the sense of minimizing an electrostatic potential free energy. Numerical results are reported to show the difference between a Poisson-Fermi solution and a corresponding Poisson solution.

Wave mode identification of electrostatic noise observed with ISEE 3 in the deep tail boundary layer

NASA Technical Reports Server (NTRS)

Tsutsui, M.; Matsumoto, H.; Strangeway, R. J.; Tsurutani, B. T.; Phillips, J. L.

1991-01-01

The characteristics of the VLF electrostatic noise observed with ISEE 3 in the low-latitude boundary layer of distant geomagnetic tail are examined using a display format for the wave dynamic spectra different from that used by Scarf et al. (1984). It is shown that the observed noise is composed of impulsive bursts. The results of the detailed analysis of the noise parameters are used to develop a model of plasma wave behavior in the plasma rest frame. A hypothesis is proposed that the wide frequency extent of the noise spectra is composed of Doppler effects of waves propagating nearly omnidirectionally within the plasma rest frame, which is moving with the electron bulk speed. On the basis of this hypothesis, the wavelength of the observed waves were determined from the width of the frequency extent and the measured electron bulk speed. It is shown that the wavelength ranges from 2 to 8 times the plasma Debye length.

MMS Observations of Ion-Scale Magnetic Island in the Magnetosheath Turbulent Plasma

NASA Technical Reports Server (NTRS)

Huang, S. Y.; Sahraoui, F.; Retino, A.; Contel, O. Le; Yuan, Z. G.; Chasapis, A.; Aunai, N.; Breuillard, H.; Deng, X. H.; Zhou, M.;

Study of electrostatic electron cyclotron parallel flow velocity shear instability in the magnetosphere of Saturn

NASA Astrophysics Data System (ADS)

Kandpal, Praveen; Pandey, R. S.

2018-05-01

In the present paper, the study of electrostatic electron cyclotron parallel flow velocity shear instability in presence of perpendicular inhomogeneous DC electric field has been carried out in the magnetosphere of Saturn. Dimensionless growth rate variation of electron cyclotron waves has been observed with respect to k⊥ ρe for various plasma parameters. Effect of velocity shear scale length (Ae), inhomogeneity (P/a), the ratio of ion to electron temperature (Ti/Te) and density gradient (ɛnρe) on the growth of electron cyclotron waves in the inner magnetosphere of Saturn has been studied and analyzed. The mathematical formulation and computation of dispersion relation and growth rate have been done by using the method of characteristic solution and kinetic approach. This theoretical analysis has been done taking the relevant data from the Cassini spacecraft in the inner magnetosphere of Saturn. We have considered ambient magnetic field data and other relevant data for this study at the radial distance of ˜4.82-5.00 Rs. In our study velocity shear and ion to electron temperature ratio have been observed to be the major sources of free energy for the electron cyclotron instability. The inhomogeneity of electric field caused a small noticeable impact on the growth rate of electrostatic electron cyclotron instability. Density gradient has been observed playing stabilizing effect on electron cyclotron instability.

Biomolecular electrostatics and solvation: a computational perspective

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

Ren, Pengyu; Chun, Jaehun; Thomas, Dennis G.

2012-11-01

An understanding of molecular interactions is essential for insight into biological systems at the molecular scale. Among the various components of molecular interactions, electrostatics are of special importance because of their long-range nature and their influence on polar or charged molecules, including water, aqueous ions, proteins, nucleic acids, carbohydrates, and membrane lipids. In particular, robust models of electrostatic interactions are essential for understanding the solvation properties of biomolecules and the effects of solvation upon biomolecular folding, binding, enzyme catalysis and dynamics. Electrostatics, therefore, are of central importance to understanding biomolecular structure and modeling interactions within and among biological molecules. Thismore » review discusses the solvation of biomolecules with a computational biophysics view towards describing the phenomenon. While our main focus lies on the computational aspect of the models, we summarize the common characteristics of biomolecular solvation (e.g., solvent structure, polarization, ion binding, and nonpolar behavior) in order to provide reasonable backgrounds to understand the solvation models.« less

Electric Potential and Electric Field Imaging with Applications

NASA Technical Reports Server (NTRS)

Generazio, Ed

2016-01-01

The technology and techniques for remote quantitative imaging of electrostatic potentials and electrostatic fields in and around objects and in free space is presented. Electric field imaging (EFI) technology may be applied to characterize intrinsic or existing electric potentials and electric fields, or an externally generated electrostatic field may be used for (illuminating) volumes to be inspected with EFI. The baseline sensor technology, electric field sensor (e-sensor), and its construction, optional electric field generation (quasistatic generator), and current e-sensor enhancements (ephemeral e-sensor) are discussed. Demonstrations for structural, electronic, human, and memory applications are shown. This new EFI capability is demonstrated to reveal characterization of electric charge distribution, creating a new field of study that embraces areas of interest including electrostatic discharge mitigation, crime scene forensics, design and materials selection for advanced sensors, dielectric morphology of structures, inspection of containers, inspection for hidden objects, tether integrity, organic molecular memory, and medical diagnostic and treatment efficacy applications such as cardiac polarization wave propagation and electromyography imaging.

Patch Finder Plus (PFplus): a web server for extracting and displaying positive electrostatic patches on protein surfaces.

PubMed

Shazman, Shula; Celniker, Gershon; Haber, Omer; Glaser, Fabian; Mandel-Gutfreund, Yael

2007-07-01

Positively charged electrostatic patches on protein surfaces are usually indicative of nucleic acid binding interfaces. Interestingly, many proteins which are not involved in nucleic acid binding possess large positive patches on their surface as well. In some cases, the positive patches on the protein are related to other functional properties of the protein family. PatchFinderPlus (PFplus) http://pfp.technion.ac.il is a web-based tool for extracting and displaying continuous electrostatic positive patches on protein surfaces. The input required for PFplus is either a four letter PDB code or a protein coordinate file in PDB format, provided by the user. PFplus computes the continuum electrostatics potential and extracts the largest positive patch for each protein chain in the PDB file. The server provides an output file in PDB format including a list of the patch residues. In addition, the largest positive patch is displayed on the server by a graphical viewer (Jmol), using a simple color coding.

Electrostatic separation for recycling waste printed circuit board: a study on external factor and a robust design for optimization.

PubMed

Hou, Shibing; Wu, Jiang; Qin, Yufei; Xu, Zhenming

2010-07-01

Electrostatic separation is an effective and environmentally friendly method for recycling waste printed circuit board (PCB) by several kinds of electrostatic separators. However, some notable problems have been detected in its applications and cannot be efficiently resolved by optimizing the separation process. Instead of the separator itself, these problems are mainly caused by some external factors such as the nonconductive powder (NP) and the superficial moisture of feeding granule mixture. These problems finally lead to an inefficient separation. In the present research, the impacts of these external factors were investigated and a robust design was built to optimize the process and to weaken the adverse impact. A most robust parameter setting (25 kv, 80 rpm) was concluded from the experimental design. In addition, some theoretical methods, including cyclone separation, were presented to eliminate these problems substantially. This will contribute to efficient electrostatic separation of waste PCB and make remarkable progress for industrial applications.

Biomolecular electrostatics and solvation: a computational perspective

PubMed Central

Ren, Pengyu; Chun, Jaehun; Thomas, Dennis G.; Schnieders, Michael J.; Marucho, Marcelo; Zhang, Jiajing; Baker, Nathan A.

2012-01-01

An understanding of molecular interactions is essential for insight into biological systems at the molecular scale. Among the various components of molecular interactions, electrostatics are of special importance because of their long-range nature and their influence on polar or charged molecules, including water, aqueous ions, proteins, nucleic acids, carbohydrates, and membrane lipids. In particular, robust models of electrostatic interactions are essential for understanding the solvation properties of biomolecules and the effects of solvation upon biomolecular folding, binding, enzyme catalysis, and dynamics. Electrostatics, therefore, are of central importance to understanding biomolecular structure and modeling interactions within and among biological molecules. This review discusses the solvation of biomolecules with a computational biophysics view towards describing the phenomenon. While our main focus lies on the computational aspect of the models, we provide an overview of the basic elements of biomolecular solvation (e.g., solvent structure, polarization, ion binding, and nonpolar behavior) in order to provide a background to understand the different types of solvation models. PMID:23217364

Biomolecular electrostatics and solvation: a computational perspective.

PubMed

Ren, Pengyu; Chun, Jaehun; Thomas, Dennis G; Schnieders, Michael J; Marucho, Marcelo; Zhang, Jiajing; Baker, Nathan A

2012-11-01

An understanding of molecular interactions is essential for insight into biological systems at the molecular scale. Among the various components of molecular interactions, electrostatics are of special importance because of their long-range nature and their influence on polar or charged molecules, including water, aqueous ions, proteins, nucleic acids, carbohydrates, and membrane lipids. In particular, robust models of electrostatic interactions are essential for understanding the solvation properties of biomolecules and the effects of solvation upon biomolecular folding, binding, enzyme catalysis, and dynamics. Electrostatics, therefore, are of central importance to understanding biomolecular structure and modeling interactions within and among biological molecules. This review discusses the solvation of biomolecules with a computational biophysics view toward describing the phenomenon. While our main focus lies on the computational aspect of the models, we provide an overview of the basic elements of biomolecular solvation (e.g. solvent structure, polarization, ion binding, and non-polar behavior) in order to provide a background to understand the different types of solvation models.

Patch Finder Plus (PFplus): A web server for extracting and displaying positive electrostatic patches on protein surfaces

PubMed Central

Shazman, Shula; Celniker, Gershon; Haber, Omer; Glaser, Fabian; Mandel-Gutfreund, Yael

2007-01-01

Positively charged electrostatic patches on protein surfaces are usually indicative of nucleic acid binding interfaces. Interestingly, many proteins which are not involved in nucleic acid binding possess large positive patches on their surface as well. In some cases, the positive patches on the protein are related to other functional properties of the protein family. PatchFinderPlus (PFplus) http://pfp.technion.ac.il is a web-based tool for extracting and displaying continuous electrostatic positive patches on protein surfaces. The input required for PFplus is either a four letter PDB code or a protein coordinate file in PDB format, provided by the user. PFplus computes the continuum electrostatics potential and extracts the largest positive patch for each protein chain in the PDB file. The server provides an output file in PDB format including a list of the patch residues. In addition, the largest positive patch is displayed on the server by a graphical viewer (Jmol), using a simple color coding. PMID:17537808

Protein-membrane electrostatic interactions: Application of the Lekner summation technique

NASA Astrophysics Data System (ADS)

Juffer, André H.; Shepherd, Craig M.; Vogel, Hans J.

2001-01-01

A model has been developed to calculate the electrostatic interaction between biomolecules and lipid bilayers. The effect of ionic strength is included by means of explicit ions, while water is described as a background continuum. The bilayer is considered at the atomic level. The Lekner summation technique is employed to calculate the long-range electrostatic interactions. The new method is employed to estimate the electrostatic contribution to the free energy of binding of sandostatin, a cyclic eight-residue analogue of the peptide hormone somatostatin, to lipid bilayers with thermodynamic integration. Monte Carlo simulation techniques were employed to determine ion distributions and peptide orientations. Both neutral as well as negatively charged lipid bilayers were used. An error analysis to judge the quality of the computation is also presented. The applicability of the Lekner summation technique to combine it with computer simulation models that simulate the adsorption of peptides (and proteins) into the interfacial region of lipid bilayers is discussed.

A Role for Weak Electrostatic Interactions in Peripheral Membrane Protein Binding

PubMed Central

Khan, Hanif M.; He, Tao; Fuglebakk, Edvin; Grauffel, Cédric; Yang, Boqian; Roberts, Mary F.; Gershenson, Anne; Reuter, Nathalie

2016-01-01

Bacillus thuringiensis phosphatidylinositol-specific phospholipase C (BtPI-PLC) is a secreted virulence factor that binds specifically to phosphatidylcholine (PC) bilayers containing negatively charged phospholipids. BtPI-PLC carries a negative net charge and its interfacial binding site has no obvious cluster of basic residues. Continuum electrostatic calculations show that, as expected, nonspecific electrostatic interactions between BtPI-PLC and membranes vary as a function of the fraction of anionic lipids present in the bilayers. Yet they are strikingly weak, with a calculated ΔGel below 1 kcal/mol, largely due to a single lysine (K44). When K44 is mutated to alanine, the equilibrium dissociation constant for small unilamellar vesicles increases more than 50 times (∼2.4 kcal/mol), suggesting that interactions between K44 and lipids are not merely electrostatic. Comparisons of molecular-dynamics simulations performed using different lipid compositions reveal that the bilayer composition does not affect either hydrogen bonds or hydrophobic contacts between the protein interfacial binding site and bilayers. However, the occupancies of cation-π interactions between PC choline headgroups and protein tyrosines vary as a function of PC content. The overall contribution of basic residues to binding affinity is also context dependent and cannot be approximated by a rule-of-thumb value because these residues can contribute to both nonspecific electrostatic and short-range protein-lipid interactions. Additionally, statistics on the distribution of basic amino acids in a data set of membrane-binding domains reveal that weak electrostatics, as observed for BtPI-PLC, might be a less unusual mechanism for peripheral membrane binding than is generally thought. PMID:27028646

Dynamical transition, hydrophobic interface, and the temperature dependence of electrostatic fluctuations in proteins.

PubMed

Lebard, David N; Matyushov, Dmitry V

2008-12-01

Molecular dynamics simulations have revealed a dramatic increase, with increasing temperature, of the amplitude of electrostatic fluctuations caused by water at the active site of metalloprotein plastocyanin. The increased breadth of electrostatic fluctuations, expressed in terms of the reorganization energy of changing the redox state of the protein, is related to the formation of the hydrophobic protein-water interface, allowing large-amplitude collective fluctuations of the water density in the protein's first solvation shell. On top of the monotonic increase of the reorganization energy with increasing temperature, we have observed a spike at approximately 220 K also accompanied by a significant slowing of the exponential collective Stokes shift dynamics. In contrast to the local density fluctuations of the hydration-shell waters, these spikes might be related to the global property of the water solvent crossing the Widom line or undergoing a weak first-order transition.

Helical Structure Determines Different Susceptibilities of dsDNA, dsRNA, and tsDNA to Counterion-Induced Condensation

PubMed Central

Kornyshev, Alexei A.; Leikin, Sergey

2013-01-01

Recent studies of counterion-induced condensation of nucleic acid helices into aggregates produced several puzzling observations. For instance, trivalent cobalt hexamine ions condensed double-stranded (ds) DNA oligomers but not their more highly charged dsRNA counterparts. Divalent alkaline earth metal ions condensed triple-stranded (ts) DNA oligomers but not dsDNA. Here we show that these counterintuitive experimental results can be rationalized within the electrostatic zipper model of interactions between molecules with helical charge motifs. We report statistical mechanical calculations that reveal dramatic and nontrivial interplay between the effects of helical structure and thermal fluctuations on electrostatic interaction between oligomeric nucleic acids. Combining predictions for oligomeric and much longer helices, we also interpret recent experimental studies of the role of counterion charge, structure, and chemistry. We argue that an electrostatic zipper attraction might be a major or even dominant force in nucleic acid condensation. PMID:23663846

Adsorption and Conformation Change of Helical Peptides on Colloidal Silica

NASA Astrophysics Data System (ADS)

Read, Michael; Zhang, Shuguang; Mayes, Anne; Burkett, Sandra

2001-03-01

Helical conformations of short peptides in solution are partly stabilized by the pattern of electrostatic charge formed by the amino acid sequence. We have studied the role of electrostatics in the adsorption and helix-coil transition of peptides on oxide surfaces. Adsorption isotherms, along with a combination of spectroscopic techniques, show that this is a reversible equilibrium process. Strong electrostatic forces between ionic side chains and charged surface sites increase the adsorbed amount, and promote a loss of helicity in the adsorbed state qualitatively different from that observed upon thermal or chemical perturbation. The electrical dipole of the peptide, arising from the amino acid side chains, serves to orient the molecules on the surface. Effects of adsorption, orientation, and conformation change on the activity of peptides in model biological reactions, as well as the relevance of this simplified system to protein adsorption, are considered.

Study of the electrostatic effects of mutations on the surface of dehaloperoxidase-hemoglobin A.

PubMed

Zhao, Junjie; Rowe, Jennifer; Franzen, Jocelyn; He, Chi; Franzen, Stefan

2012-04-20

Point mutations of dehaloperoxidase-hemoglobin A (DHP A) that affect the surface charge have been prepared to study the interaction between DHP A with its substrate 2,4,6-trichlorophenol (TCP). Kinetic studies of these surface mutations showed a correlation, in which the more positively charged mutants have increased catalytic efficiency compared with wild type DHP A. As a result, the hypothesis of this study is that there is a global electrostatic interaction between DHP A and TCP. The electrostatic nature of substrate binding was further confirmed by the result that kinetic assays of DHP A were affected by ionic strength. Furthermore, isoelectric focusing (IEF) gel study showed that the pI-6.8 for DHP A, which indicates that DHP A has a slight negative charge pH 7, consistent with the kinetic observations. Copyright © 2012 Elsevier Inc. All rights reserved.

Self organization of exotic oil-in-oil phases driven by tunable electrohydrodynamics

PubMed Central

Varshney, Atul; Ghosh, Shankar; Bhattacharya, S.; Yethiraj, Anand

2012-01-01

Self organization of large-scale structures in nature - either coherent structures like crystals, or incoherent dynamic structures like clouds - is governed by long-range interactions. In many problems, hydrodynamics and electrostatics are the source of such long-range interactions. The tuning of electrostatic interactions has helped to elucidate when coherent crystalline structures or incoherent amorphous structures form in colloidal systems. However, there is little understanding of self organization in situations where both electrostatic and hydrodynamic interactions are present. We present a minimal two-component oil-in-oil model system where we can control the strength and lengthscale of the electrohydrodynamic interactions by tuning the amplitude and frequency of the imposed electric field. As a function of the hydrodynamic lengthscale, we observe a rich phenomenology of exotic structure and dynamics, from incoherent cloud-like structures and chaotic droplet dynamics, to polyhedral droplet phases, to coherent droplet arrays. PMID:23071902

An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes.

PubMed

Chilton, Nicholas F; Collison, David; McInnes, Eric J L; Winpenny, Richard E P; Soncini, Alessandro

2013-01-01

Understanding the anisotropic electronic structure of lanthanide complexes is important in areas as diverse as magnetic resonance imaging, luminescent cell labelling and quantum computing. Here we present an intuitive strategy based on a simple electrostatic method, capable of predicting the magnetic anisotropy of dysprosium(III) complexes, even in low symmetry. The strategy relies only on knowing the X-ray structure of the complex and the well-established observation that, in the absence of high symmetry, the ground state of dysprosium(III) is a doublet quantized along the anisotropy axis with an angular momentum quantum number mJ=±(15)/2. The magnetic anisotropy axis of 14 low-symmetry monometallic dysprosium(III) complexes computed via high-level ab initio calculations are very well reproduced by our electrostatic model. Furthermore, we show that the magnetic anisotropy is equally well predicted in a selection of low-symmetry polymetallic complexes.

Investigation of spray dispersion and particulate formation in diesel fuel flames

NASA Technical Reports Server (NTRS)

Back, L. H.; Bankston, C. P.; Kwack, E. Y.; Bellan, J.; Harstad, K.

1988-01-01

An experimental study of electrostatical atomized and dispersed diesel fuel jets was conducted at various back pressures to 40 atm. A new electrostatic injection technique was utilized to generate continuous, stable fuel sprays at charge densities of 1.5 to 2.0 C/m3 of fluid at one atm, and about 1.0 C/m3 at 40 atm. Flowrates were varied from 0.5 to 2.5 ml/s and electric potentials to -18 kV. Visual observations showed that significant enhanced dispersion of charged fuel jets occurred at high back pressures compared to aerodynamic breakup and dispersion. The average drop size was about the same as the spray triode orifice diameter, and was between the Kelly theory and the Rayleigh limit. The ignition tests, done only at one atm, indicated stable combustion of the electrostatically dispersed fuel jets.

Electrostatic wave modulation in collisional pair-ion plasmas

NASA Astrophysics Data System (ADS)

Sikdar, Arnab; Adak, Ashish; Ghosh, Samiran; Khan, Manoranjan

2018-05-01

The effects of ion-neutral collision on the electrostatic wave packets in the absence of the magnetic field in a pair-ion plasma have been investigated. Considering a two-fluid plasma model with the help of the standard perturbation technique, two distinct electrostatic modes have been observed, namely, a low-frequency ion acoustic mode and a high-frequency ion plasma mode. The dynamics of the modulated wave is governed by a damped nonlinear Schrödinger equation. Damping of the soliton occurs due to the ion-neutral collision. The analytical and numerical investigation reveals that the ion acoustic mode is both stable and unstable, which propagates in the form of dark solitons and bright solitons, respectively, whereas the ion plasma mode is unstable, propagating in the form of a bright soliton. Results are discussed in the context of the fullerene pair-ion plasma experiments.

Electrostatically operated optical microshutter array for a miniature integrated optical spectrometer

NASA Astrophysics Data System (ADS)

Ilias, Samir; Picard, Francis; Larouche, Carl; Kruzelecky, Roman; Jamroz, Wes

2017-11-01

16x1 programmable microshutter arrays allowing control of the light transmitted through a transparent substrate supporting the array were successfully fabricated using surface micromachining technology. Each microshutter is basically an electrostatic zipping actuator having a curved shape induced by a stress gradient through the actuator thickness. When a sufficient voltage is applied between the microshutter and the actuation electrode surrounding the associated microslit area, the generated electrostatic force pulls the actuator down to the substrate which closes the microslit. Opening the slit relies on the restoring force. High light transmission through the slit area is obtained with the actuator in the open position and excellent light blocking is observed when the shutter is closed. Static and dynamic responses of the device were determined. The pull-in voltage to close the microslit was about 110 V and the response times to close and open the microslit were about 2 ms and 7 ms, respectively.

Ionic tethering contributes to the conformational stability and function of complement C3b.

PubMed

López-Perrote, Andrés; Harrison, Reed E S; Subías, Marta; Alcorlo, Martín; Rodríguez de Córdoba, Santiago; Morikis, Dimitrios; Llorca, Oscar

2017-05-01

C3b, the central component of the alternative pathway (AP) of the complement system, coexists as a mixture of conformations in solution. These conformational changes can affect interactions with other proteins and complement regulators. Here we combine a computational model for electrostatic interactions within C3b with molecular imaging to study the conformation of C3b. The computational analysis shows that the TED domain in C3b is tethered ionically to the macroglobulin (MG) ring. Monovalent counterion concentration affects the magnitude of electrostatic forces anchoring the TED domain to the rest of the C3b molecule in a thermodynamic model. This is confirmed by observing NaCl concentration dependent conformational changes using single molecule electron microscopy (EM). We show that the displacement of the TED domain is compatible with C3b binding to Factor B (FB), suggesting that the regulation of the C3bBb convertase could be affected by conditions that promote movement in the TED domain. Our molecular model also predicts mutations that could alter the positioning of the TED domain, including the common R102G polymorphism, a risk variant for developing age-related macular degeneration. The common C3b isoform, C3bS, and the risk isoform, C3bF, show distinct energetic barriers to displacement in the TED that are related to a network of electrostatic interactions at the interface of the TED and MG-ring domains of C3b. These computational predictions agree with experimental evidence that shows differences in conformation observed in C3b isoforms purified from homozygous donors. Altogether, we reveal an ionic, reversible attachment of the TED domain to the MG ring that may influence complement regulation in some mutations and polymorphisms of C3b. Copyright © 2016 Elsevier Ltd. All rights reserved.

Imaging of turbulent structures and tomographic reconstruction of TORPEX plasma emissivity

NASA Astrophysics Data System (ADS)

Iraji, D.; Furno, I.; Fasoli, A.; Theiler, C.

2010-12-01

In the TORPEX [A. Fasoli et al., Phys. Plasmas 13, 055902 (2006)], a simple magnetized plasma device, low frequency electrostatic fluctuations associated with interchange waves, are routinely measured by means of extensive sets of Langmuir probes. To complement the electrostatic probe measurements of plasma turbulence and study of plasma structures smaller than the spatial resolution of probes array, a nonperturbative direct imaging system has been developed on TORPEX, including a fast framing Photron-APX-RS camera and an image intensifier unit. From the line-integrated camera images, we compute the poloidal emissivity profile of the plasma by applying a tomographic reconstruction technique using a pixel method and solving an overdetermined set of equations by singular value decomposition. This allows comparing statistical, spectral, and spatial properties of visible light radiation with electrostatic fluctuations. The shape and position of the time-averaged reconstructed plasma emissivity are observed to be similar to those of the ion saturation current profile. In the core plasma, excluding the electron cyclotron and upper hybrid resonant layers, the mean value of the plasma emissivity is observed to vary with (Te)α(ne)β, in which α =0.25-0.7 and β =0.8-1.4, in agreement with collisional radiative model. The tomographic reconstruction is applied to the fast camera movie acquired with 50 kframes/s rate and 2 μs of exposure time to obtain the temporal evolutions of the emissivity fluctuations. Conditional average sampling is also applied to visualize and measure sizes of structures associated with the interchange mode. The ω-time and the two-dimensional k-space Fourier analysis of the reconstructed emissivity fluctuations show the same interchange mode that is detected in the ω and k spectra of the ion saturation current fluctuations measured by probes. Small scale turbulent plasma structures can be detected and tracked in the reconstructed emissivity movies with the spatial resolution down to 2 cm, well beyond the spatial resolution of the probe array.

Self-consistent Langmuir waves in resonantly driven thermal plasmas

NASA Astrophysics Data System (ADS)

Lindberg, R. R.; Charman, A. E.; Wurtele, J. S.

2007-12-01

The longitudinal dynamics of a resonantly driven Langmuir wave are analyzed in the limit that the growth of the electrostatic wave is slow compared to the bounce frequency. Using simple physical arguments, the nonlinear distribution function is shown to be nearly invariant in the canonical particle action, provided both a spatially uniform term and higher-order spatial harmonics are included along with the fundamental in the longitudinal electric field. Requirements of self-consistency with the electrostatic potential yield the basic properties of the nonlinear distribution function, including a frequency shift that agrees closely with driven, electrostatic particle simulations over a range of temperatures. This extends earlier work on nonlinear Langmuir waves by Morales and O'Neil [G. J. Morales and T. M. O'Neil, Phys. Rev. Lett. 28, 417 (1972)] and Dewar [R. L. Dewar, Phys. Plasmas 15, 712 (1972)], and could form the basis of a reduced kinetic treatment of plasma dynamics for accelerator applications or Raman backscatter.

Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins

PubMed Central

Gunner, MR; Baker, Nathan A.

2017-01-01

Proteins change their charge state through protonation and redox reactions as well as through binding charged ligands. The free energy of these reactions are dominated by solvation and electrostatic energies and modulated by protein conformational relaxation in response to the ionization state changes. Although computational methods for calculating these interactions can provide very powerful tools for predicting protein charge states, they include several critical approximations of which users should be aware. This chapter discusses the strengths, weaknesses, and approximations of popular computational methods for predicting charge states and understanding their underlying electrostatic interactions. The goal of this chapter is to inform users about applications and potential caveats of these methods as well as outline directions for future theoretical and computational research. PMID:27497160

A structure adapted multipole method for electrostatic interactions in protein dynamics

NASA Astrophysics Data System (ADS)

Niedermeier, Christoph; Tavan, Paul

1994-07-01

We present an algorithm for rapid approximate evaluation of electrostatic interactions in molecular dynamics simulations of proteins. Traditional algorithms require computational work of the order O(N2) for a system of N particles. Truncation methods which try to avoid that effort entail untolerably large errors in forces, energies and other observables. Hierarchical multipole expansion algorithms, which can account for the electrostatics to numerical accuracy, scale with O(N log N) or even with O(N) if they become augmented by a sophisticated scheme for summing up forces. To further reduce the computational effort we propose an algorithm that also uses a hierarchical multipole scheme but considers only the first two multipole moments (i.e., charges and dipoles). Our strategy is based on the consideration that numerical accuracy may not be necessary to reproduce protein dynamics with sufficient correctness. As opposed to previous methods, our scheme for hierarchical decomposition is adjusted to structural and dynamical features of the particular protein considered rather than chosen rigidly as a cubic grid. As compared to truncation methods we manage to reduce errors in the computation of electrostatic forces by a factor of 10 with only marginal additional effort.

Multifluid Theory of Solitons

NASA Astrophysics Data System (ADS)

Verheest, Frank

2008-03-01

After introducing the basic multifluid model equations, this review discusses three different methods to describe nonlinear plasma waves, by giving a rather general overview of the relevant methodology, followed by a specific and recent application. First, reductive perturbation analysis is applicable to waves that are not too strongly nonlinear, if their linear counterparts have an acoustic-like dispersion at low frequencies. It is discussed for electrostatic modes, with a brief application to dusty plasma waves. The typical paradigm for such problems is the well known KdV equation and its siblings. Stationary waves with larger amplitudes can be treated, i.a., via the fluid-dynamic approach pioneered by McKenzie, which focuses on essential insights into the limitations that restrict the range of available solitary electrostatic solutions. As an illustration, novel electrostatic solutions have been found in plasmas with two-temperature electron species that are relevant in understanding certain magnetospheric plasma observations. The older cousin of the large-amplitude technique is the Sagdeev pseudopotential description, to which the newer fluid-dynamic approach is essentially equivalent. Because the Sagdeev analysis has mostly been applied to electrostatic waves, some recent results are given for electromagnetic modes in pair plasmas, to show its versatility.

Electrostatic ion thruster optics calculations

NASA Technical Reports Server (NTRS)

Whealton, John H.; Kirkman, David A.; Raridon, R. J.

1992-01-01

Calculations have been performed which encompass both a self-consistent ion source extraction plasma sheath and the primary ion optics including sheath and electrode-induced aberrations. Particular attention is given to the effects of beam space charge, accelerator geometry, and properties of the downstream plasma sheath on the position of the electrostatic potential saddle point near the extractor electrode. The electron blocking potential blocking is described as a function of electrode thickness and secondary plasma processes.

Optical control system for high-voltage terminals

DOEpatents

Bicek, John J.

1978-01-01

An optical control system for the control of devices in the terminal of an electrostatic accelerator includes a laser that is modulated by a series of preselected codes produced by an encoder. A photodiode receiver is placed in the laser beam at the high-voltage terminal of an electrostatic accelerator. A decoder connected to the photodiode decodes the signals to provide control impulses for a plurality of devices at the high voltage of the terminal.

Modeling the mechanical properties of DNA nanostructures.

PubMed

Arbona, Jean Michel; Aimé, Jean-Pierre; Elezgaray, Juan

2012-11-01

We discuss generalizations of a previously published coarse-grained description [Mergell et al., Phys. Rev. E 68, 021911 (2003)] of double stranded DNA (dsDNA). The model is defined at the base-pair level and includes the electrostatic repulsion between neighbor helices. We show that the model reproduces mechanical and elastic properties of several DNA nanostructures (DNA origamis). We also show that electrostatic interactions are necessary to reproduce atomic force microscopy measurements on planar DNA origamis.

Sensitivity Testing of RDX/Aluminum Powdered Explosive Mixtures for the Improved Dispersed Explosives (IDX) Project

DTIC Science & Technology

1993-04-01

perpendicular to the pipe axis. During assembly, the threads are lubricated and Teflon tape is used for sealing. Aluminum witness plates (25.4 mm thick...3.3 Electrostatic Discharge ( ESD ) ................................. 7 4. INTERMEDIATE-SCALE SENSITIVITY TESTING ..................... 8 4.1 Card Gap...tests include the DWIT, friction, and electrostatic discharge ( ESD ) tests. The purpose of these tests is to enable the researcher to ensure that the

A Novel Controller Design for the Next Generation Space Electrostatic Accelerometer Based on Disturbance Observation and Rejection.

PubMed

Li, Hongyin; Bai, Yanzheng; Hu, Ming; Luo, Yingxin; Zhou, Zebing

2016-12-23

The state-of-the-art accelerometer technology has been widely applied in space missions. The performance of the next generation accelerometer in future geodesic satellites is pushed to 8 × 10 - 13 m / s 2 / H z 1 / 2 , which is close to the hardware fundamental limit. According to the instrument noise budget, the geodesic test mass must be kept in the center of the accelerometer within the bounds of 56 pm / Hz 1 / 2 by the feedback controller. The unprecedented control requirements and necessity for the integration of calibration functions calls for a new type of control scheme with more flexibility and robustness. A novel digital controller design for the next generation electrostatic accelerometers based on disturbance observation and rejection with the well-studied Embedded Model Control (EMC) methodology is presented. The parameters are optimized automatically using a non-smooth optimization toolbox and setting a weighted H-infinity norm as the target. The precise frequency performance requirement of the accelerometer is well met during the batch auto-tuning, and a series of controllers for multiple working modes is generated. Simulation results show that the novel controller could obtain not only better disturbance rejection performance than the traditional Proportional Integral Derivative (PID) controllers, but also new instrument functions, including: easier tuning procedure, separation of measurement and control bandwidth and smooth control parameter switching.

A Novel Controller Design for the Next Generation Space Electrostatic Accelerometer Based on Disturbance Observation and Rejection

PubMed Central

Li, Hongyin; Bai, Yanzheng; Hu, Ming; Luo, Yingxin; Zhou, Zebing

2016-01-01

The state-of-the-art accelerometer technology has been widely applied in space missions. The performance of the next generation accelerometer in future geodesic satellites is pushed to 8×10−13m/s2/Hz1/2, which is close to the hardware fundamental limit. According to the instrument noise budget, the geodesic test mass must be kept in the center of the accelerometer within the bounds of 56 pm/Hz1/2 by the feedback controller. The unprecedented control requirements and necessity for the integration of calibration functions calls for a new type of control scheme with more flexibility and robustness. A novel digital controller design for the next generation electrostatic accelerometers based on disturbance observation and rejection with the well-studied Embedded Model Control (EMC) methodology is presented. The parameters are optimized automatically using a non-smooth optimization toolbox and setting a weighted H-infinity norm as the target. The precise frequency performance requirement of the accelerometer is well met during the batch auto-tuning, and a series of controllers for multiple working modes is generated. Simulation results show that the novel controller could obtain not only better disturbance rejection performance than the traditional Proportional Integral Derivative (PID) controllers, but also new instrument functions, including: easier tuning procedure, separation of measurement and control bandwidth and smooth control parameter switching. PMID:28025534

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

Detectability of electrostatic decay products in Ulysses and Galileo observations of type 3 solar radio sources

NASA Technical Reports Server (NTRS)

Cairns, Iver H.

1995-01-01

Recent in situ Ulysses and Galileo observations of the source regions of type 3 solar radio bursts appear to show an absence of ion acoustic waves S produced by nonlinear Langmuir wave processes such as the electrostatic (ES) decay, in contradiction with earlier ISEE 3 observations and analytic theory. This letter resolves these apparent contradictions. Refined analyses of the maximum S-wave electric fields produced by ES decay and of the characteristics of the Ulysses Wave Form Analyzer (WFA) instrument show that the bursty S waves observed by the ISEE 3 should be essentially undetectable by the Ulysses WFA. It is also shown that the maximum S-wave levels predicted for the Galileo event are approximately less than the instrumental noise level, thereby confirming an earlier suggestion. Thus, no contradictions exist between the ISEE 3 and Ulysses/Galileo observation, and no evidence exists against ES decay in the published Ulysses and Galileo data. All available data are consistent with, or at worst not inconsistent with, the ES decay proceeding and being the dominant nonlinear process in type 3 bursts.

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.

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.

Quantum oscillation and the Aharonov-Bohm effect in a multiply connected normal-conductor loop

NASA Astrophysics Data System (ADS)

Takai, Daisuke; Ohta, Kuniichi

1994-12-01

The magnetostatic and electrostatic Aharonov-Bohm (AB) effects in multiply connected normal-conductor rings are studied. A previously developed model of a single mesoscopic ring is generalized to include an arbitrary number of rings, and the oscillatory behavior of the total transmission coefficients for the serially connected N (N is equal to integer) rings are derived as a function of the magnetic flux threading each ring and as a function of the electrostatic potential applied to the rings. It is shown that quantum oscillation of multiple rings exhibits greater variety of behavior than in periodic superlattices. We investigate the influence of the scattering at a junction and the number of atoms in the ring in both magnetostatic and electrostatic oscillation of multiring systems. For the electrostatic AB effects, when scattering occurs at the junctions between the connecting wire and the ring, the conductance in the AB oscillation is modified to an N-1 peaked shape. It is shown that this oscillatory behavior is greatly influenced by the number of atoms in the ring and is controlled by the electrostatic potential or magnetic flux that is applied to the ring. We discuss the behavior of the quantum oscillations upon varying the number of connected rings and the number of minibands.

Electrostatic transfer of epitaxial graphene to glass.

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

Ohta, Taisuke; Pan, Wei; Howell, Stephen Wayne

2010-12-01

We report on a scalable electrostatic process to transfer epitaxial graphene to arbitrary glass substrates, including Pyrex and Zerodur. This transfer process could enable wafer-level integration of graphene with structured and electronically-active substrates such as MEMS and CMOS. We will describe the electrostatic transfer method and will compare the properties of the transferred graphene with nominally-equivalent 'as-grown' epitaxial graphene on SiC. The electronic properties of the graphene will be measured using magnetoresistive, four-probe, and graphene field effect transistor geometries [1]. To begin, high-quality epitaxial graphene (mobility 14,000 cm2/Vs and domains >100 {micro}m2) is grown on SiC in an argon-mediated environmentmore » [2,3]. The electrostatic transfer then takes place through the application of a large electric field between the donor graphene sample (anode) and the heated acceptor glass substrate (cathode). Using this electrostatic technique, both patterned few-layer graphene from SiC(000-1) and chip-scale monolayer graphene from SiC(0001) are transferred to Pyrex and Zerodur substrates. Subsequent examination of the transferred graphene by Raman spectroscopy confirms that the graphene can be transferred without inducing defects. Furthermore, the strain inherent in epitaxial graphene on SiC(0001) is found to be partially relaxed after the transfer to the glass substrates.« less

A multiscale model for charge inversion in electric double layers

NASA Astrophysics Data System (ADS)

Mashayak, S. Y.; Aluru, N. R.

2018-06-01

Charge inversion is a widely observed phenomenon. It is a result of the rich statistical mechanics of the molecular interactions between ions, solvent, and charged surfaces near electric double layers (EDLs). Electrostatic correlations between ions and hydration interactions between ions and water molecules play a dominant role in determining the distribution of ions in EDLs. Due to highly polar nature of water, near a surface, an inhomogeneous and anisotropic arrangement of water molecules gives rise to pronounced variations in the electrostatic and hydration energies of ions. Classical continuum theories fail to accurately describe electrostatic correlations and molecular effects of water in EDLs. In this work, we present an empirical potential based quasi-continuum theory (EQT) to accurately predict the molecular-level properties of aqueous electrolytes. In EQT, we employ rigorous statistical mechanics tools to incorporate interatomic interactions, long-range electrostatics, correlations, and orientation polarization effects at a continuum-level. Explicit consideration of atomic interactions of water molecules is both theoretically and numerically challenging. We develop a systematic coarse-graining approach to coarse-grain interactions of water molecules and electrolyte ions from a high-resolution atomistic scale to the continuum scale. To demonstrate the ability of EQT to incorporate the water orientation polarization, ion hydration, and electrostatic correlations effects, we simulate confined KCl aqueous electrolyte and show that EQT can accurately predict the distribution of ions in a thin EDL and also predict the complex phenomenon of charge inversion.

Comparison of Calculation and Experiment Implicates Significant Electrostatic Contributions to the Binding Stability of Barnase and Barstar

PubMed Central

Dong, Feng; Vijayakumar, M.; Zhou, Huan-Xiang

2003-01-01

The contributions of electrostatic interactions to the binding stability of barnase and barstar were studied by the Poisson-Boltzmann model with three different protocols: a), the dielectric boundary specified as the van der Waals (vdW) surface of the protein along with a protein dielectric constant (ɛp) of 4; b), the dielectric boundary specified as the molecular (i.e., solvent-exclusion (SE)) surface along with ɛp = 4; and c), “SE + ɛp = 20.” The “vdW + ɛp = 4” and “SE + ɛp = 20” protocols predicted an overall electrostatic stabilization whereas the “SE + ɛp = 4” protocol predicted an overall electrostatic destabilization. The “vdW + ɛp = 4” protocol was most consistent with experiment. It quantitatively reproduced the observed effects of 17 mutations neutralizing charged residues lining the binding interface and the measured coupling energies of six charge pairs across the interface and reasonably rationalized the experimental ionic strength and pH dependences of the binding constant. In contrast, the “SE + ɛp = 4” protocol predicted significantly larger coupling energies of charge pairs whereas the “SE + ɛp = 20” protocol did not predict any pH dependence. This study calls for further scrutiny of the different Poisson-Boltzmann protocols and demonstrates potential danger in drawing conclusions on electrostatic contributions based on a particular calculation protocol. PMID:12829463

Interplay between morphological and shielding effects in field emission via Schwarz-Christoffel transformation

NASA Astrophysics Data System (ADS)

Marcelino, Edgar; de Assis, Thiago A.; de Castilho, Caio M. C.

2018-03-01

It is well known that sufficiently strong electrostatic fields are able to change the morphology of Large Area Field Emitters (LAFEs). This phenomenon affects the electrostatic interactions between adjacent sites on a LAFE during field emission and may lead to several consequences, such as: the emitter's degradation, diffusion of absorbed particles on the emitter's surface, deflection due to electrostatic forces, and mechanical stress. These consequences are undesirable for technological applications, since they may significantly affect the macroscopic current density on the LAFE. Despite the technological importance, these processes are not completely understood yet. Moreover, the electrostatic effects due to the proximity between emitters on a LAFE may compete with the morphological ones. The balance between these effects may lead to a non trivial behavior in the apex-Field Enhancement Factor (FEF). The present work intends to study the interplay between proximity and morphological effects by studying a model amenable for an analytical treatment. In order to do that, a conducting system under an external electrostatic field, with a profile limited by two mirror-reflected triangular protrusions on an infinite line, is considered. The FEF near the apex of each emitter is obtained as a function of their shape and the distance between them via a Schwarz-Christoffel transformation. Our results suggest that a tradeoff between morphological and proximity effects on a LAFE may provide an explanation for the observed reduction of the local FEF and its variation at small distances between the emitter sites.

Design and Fabrication of a Differential Electrostatic Accelerometer for Space-Station Testing of the Equivalence Principle.

PubMed

Han, Fengtian; Liu, Tianyi; Li, Linlin; Wu, Qiuping

2016-08-10

The differential electrostatic space accelerometer is an equivalence principle (EP) experiment instrument proposed to operate onboard China's space station in the 2020s. It is designed to compare the spin-spin interaction between two rotating extended bodies and the Earth to a precision of 10(-12), which is five orders of magnitude better than terrestrial experiment results to date. To achieve the targeted test accuracy, the sensitive space accelerometer will use the very soft space environment provided by a quasi-drag-free floating capsule and long-time observation of the free-fall mass motion for integration of the measurements over 20 orbits. In this work, we describe the design and capability of the differential accelerometer to test weak space acceleration. Modeling and simulation results of the electrostatic suspension and electrostatic motor are presented based on attainable space microgravity condition. Noise evaluation shows that the electrostatic actuation and residual non-gravitational acceleration are two major noise sources. The evaluated differential acceleration noise is 1.01 × 10(-9) m/s²/Hz(1/2) at the NEP signal frequency of 0.182 mHz, by neglecting small acceleration disturbances. The preliminary work on development of the first instrument prototype is introduced for on-ground technological assessments. This development has already confirmed several crucial fabrication processes and measurement techniques and it will open the way to the construction of the final differential space accelerometer.

Design and Fabrication of a Differential Electrostatic Accelerometer for Space-Station Testing of the Equivalence Principle

PubMed Central

Han, Fengtian; Liu, Tianyi; Li, Linlin; Wu, Qiuping

2016-01-01

The differential electrostatic space accelerometer is an equivalence principle (EP) experiment instrument proposed to operate onboard China’s space station in the 2020s. It is designed to compare the spin-spin interaction between two rotating extended bodies and the Earth to a precision of 10−12, which is five orders of magnitude better than terrestrial experiment results to date. To achieve the targeted test accuracy, the sensitive space accelerometer will use the very soft space environment provided by a quasi-drag-free floating capsule and long-time observation of the free-fall mass motion for integration of the measurements over 20 orbits. In this work, we describe the design and capability of the differential accelerometer to test weak space acceleration. Modeling and simulation results of the electrostatic suspension and electrostatic motor are presented based on attainable space microgravity condition. Noise evaluation shows that the electrostatic actuation and residual non-gravitational acceleration are two major noise sources. The evaluated differential acceleration noise is 1.01 × 10−9 m/s2/Hz1/2 at the NEP signal frequency of 0.182 mHz, by neglecting small acceleration disturbances. The preliminary work on development of the first instrument prototype is introduced for on-ground technological assessments. This development has already confirmed several crucial fabrication processes and measurement techniques and it will open the way to the construction of the final differential space accelerometer. PMID:27517927

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

Appearance of metastable B2 phase during solidification of Ni 50 Zr 50 alloy: electrostatic levitation and molecular dynamics simulation studies

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

Quirinale, D. G.; Rustan, G. E.; Wilson, S. R.

2015-02-04

High-energy x-ray diffraction measurements of undercooled, electrostatically levitated Ni 50Zr 50 liquid droplets were performed. The observed solidification pathway proceeded through the nucleation and growth of the metastable B2 phase, which persisted for several seconds before the rapid appearance of the stable B33 phase. This sequence is shown to be consistent with predictions from classical nucleation theory using data obtained from molecular dynamics (MD) simulations. A plausible mechanism for the B2–B33 transformation is proposed and investigated through further MD simulations.

The effects of electrostatic charging on the dust distribution at Halley's Comet

NASA Technical Reports Server (NTRS)

Horanyi, M.; Mendis, D. A.

1986-01-01

The distribution of fine dust near Comet Halley at its 1910 and 1986 apparitions is investigated by means of computer simulations, taking the effects of EM forces due to the dust electrostatic charge into account. It is found that the nucleus spin period and orbital obliquity estimated by Sekanina and Larson (1984) from the 1910 observations are unaffected by these EM forces because the 1910 dust morphology involved mainly large grains. For 1986, the orientation of the smaller dust is shown to depend on the interplanetary magnetic field, with implications for the dust distribution encountered by the Halley probes.

Modeling of equilibrium hollow objects stabilized by electrostatics.

PubMed

Mani, Ethayaraja; Groenewold, Jan; Kegel, Willem K

2011-05-18

The equilibrium size of two largely different kinds of hollow objects behave qualitatively differently with respect to certain experimental conditions. Yet, we show that they can be described within the same theoretical framework. The objects we consider are 'minivesicles' of ionic and nonionic surfactant mixtures, and shells of Keplerate-type polyoxometalates. The finite-size of the objects in both systems is manifested by electrostatic interactions. We emphasize the importance of constant charge and constant potential boundary conditions. Taking these conditions into account, indeed, leads to the experimentally observed qualitatively different behavior of the equilibrium size of the objects.

Electrostatic Steepening of Whistler Waves

NASA Astrophysics Data System (ADS)

Vasko, I. Y.; Agapitov, O. V.; Mozer, F. S.; Bonnell, J. W.; Artemyev, A. V.; Krasnoselskikh, V. V.; Tong, Y.

2018-05-01

We present surprising observations by the NASA Van Allen Probes spacecraft of whistler waves with substantial electric field power at harmonics of the whistler wave fundamental frequency. The wave power at harmonics is due to a nonlinearly steepened whistler electrostatic field that becomes possible in the two-temperature electron plasma due to the whistler wave coupling to the electron-acoustic mode. The simulation and analytical estimates show that the steepening takes a few tens of milliseconds. The hydrodynamic energy cascade to higher frequencies facilitates efficient energy transfer from cyclotron resonant electrons, driving the whistler waves, to lower energy electrons.

The active site of hydroxynitrile lyase from Prunus amygdalus: Modeling studies provide new insights into the mechanism of cyanogenesis

PubMed Central

Dreveny, Ingrid; Kratky, Christoph; Gruber, Karl

2002-01-01

The FAD-dependent hydroxynitrile lyase from almond (Prunus amygdalus, PaHNL) catalyzes the cleavage of R-mandelonitrile into benzaldehyde and hydrocyanic acid. Catalysis of the reverse reaction—the enantiospecific formation of α-hydroxynitriles—is now widely utilized in organic syntheses as one of the few industrially relevant examples of enzyme-mediated C–C bond formation. Starting from the recently determined X-ray crystal structure, systematic docking calculations with the natural substrate were used to locate the active site of the enzyme and to identify amino acid residues involved in substrate binding and catalysis. Analysis of the modeled substrate complexes supports an enzymatic mechanism that includes the flavin cofactor as a mere "spectator" of the reaction and relies on general acid/base catalysis by the conserved His-497. Stabilization of the negative charge of the cyanide ion is accomplished by a pronounced positive electrostatic potential at the binding site. PaHNL activity requires the FAD cofactor to be bound in its oxidized form, and calculations of the pKa of enzyme-bound HCN showed that the observed inactivation upon cofactor reduction is largely caused by the reversal of the electrostatic potential within the active site. The suggested mechanism closely resembles the one proposed for the FAD-independent, and structurally unrelated HNL from Hevea brasiliensis. Although the actual amino acid residues involved in the catalytic cycle are completely different in the two enzymes, a common motif for the mechanism of cyanogenesis (general acid/base catalysis plus electrostatic stabilization of the cyanide ion) becomes evident. PMID:11790839

Binding Rate Constants Reveal Distinct Features of Disordered Protein Domains.

PubMed

Dogan, Jakob; Jonasson, Josefin; Andersson, Eva; Jemth, Per

2015-08-04

Intrinsically disordered proteins (IDPs) are abundant in the proteome and involved in key cellular functions. However, experimental data about the binding kinetics of IDPs as a function of different environmental conditions are scarce. We have performed an extensive characterization of the ionic strength dependence of the interaction between the molten globular nuclear co-activator binding domain (NCBD) of CREB binding protein and five different protein ligands, including the intrinsically disordered activation domain of p160 transcriptional co-activators (SRC1, TIF2, ACTR), the p53 transactivation domain, and the folded pointed domain (PNT) of transcription factor ETS-2. Direct comparisons of the binding rate constants under identical conditions show that the association rate constant, kon, for interactions between NCBD and disordered protein domains is high at low salt concentrations (90-350 × 10(6) M(-1) s(-1) at 4 °C) but is reduced significantly (10-30-fold) with an increasing ionic strength and reaches a plateau around physiological ionic strength. In contrast, the kon for the interaction between NCBD and the folded PNT domain is only 7 × 10(6) M(-1) s(-1) (4 °C and low salt) and displays weak ionic strength dependence, which could reflect a distinctly different association that relies less on electrostatic interactions. Furthermore, the basal rate constant (in the absence of electrostatic interactions) is high for the NCBD interactions, exceeding those typically observed for folded proteins. One likely interpretation is that disordered proteins have a large number of possible collisions leading to a productive on-pathway encounter complex, while folded proteins are more restricted in terms of orientation. Our results highlight the importance of electrostatic interactions in binding involving IDPs and emphasize the significance of including ionic strength as a factor in studies that compare the binding properties of IDPs to those of ordered proteins.

Observations of electron gyroharmonic waves and the structure of the 10 torus

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

Birmingham, T.J.; Alexander, J.K.; Desch, M.D.

1981-09-30

Narrow-banded emission were observed by the planetary radio astronomy experiment on the Voyager 1 spacecraft as it traversed the Io plasma torus. These waves occur between harmonics of the electron gyrofrequency and are the Jovian analogue of electrostatic emissions observed and theoretically studied for the terrestrial magnetosphere. The observed frequencies always include the component near f/sub uhr'/ the upper hydbrid resonant frequency, but the distribution of the other observed emissions varies in a systematic way with position in the torus. A detailed discussion of the observations is presented. A refined model of the electron density variation, based on identification ofmore » the f/sub uhr/ line, is also included. Spectra of the observed waves are analyzed in terms of the linear instability of an electron distribution function consisting of isotropic cold electrons and hot loss cone electrons. The positioning of the observed auxiliary harmonics with respect to f/sub uhr/ is shown to be an indicator of the cold to hot temperature ratio T/sub C//T/sub H/. It is concluded that this ratio increases systematically by an overall factor of perhaps 4 or 5 between the inner (Lapprox.5 R/sub J/) and outer (Lapprox.9 R/sub J/) portions of the torus. Other relevant plasma and spectroscopic data are discussed.« less

Development of a Tunnel Diode Resonator technique for magnetic measurements in Electrostatic Levitation chamber

NASA Astrophysics Data System (ADS)

Spyrison, N. S.; Prommapan, P.; Kim, H.; Maloney, J.; Rustan, G. E.; Kreyssig, A.; Goldman, A. I.; Prozorov, R.

2011-03-01

The incorporation of the Tunnel Diode Resonator (TDR) technique into an ElectroStatic Levitation (ESL) apparatus was explored. The TDR technique is known to operate and behave well at low temperatures with careful attention to coil-sample positioning in a dark, shielded environment. With these specifications a frequency resolution of 10-9 in a few seconds counting time can be achieved. Complications arise when this technique is applied in the ESL chamber where a sample of molten metal is levitating less then 10 mm from the coil in a large electrostatic field. We have tested a variety of coils unconventional to TDR; including Helmholtz pairs and Archimedean spiral coils. Work was supported by the Nation Science Foundation under grant DMR-08-17157

Biobriefcase electrostatic aerosol collector

DOEpatents

Bell, Perry M [Tracy, CA; Christian, Allen T [Madison, WI; Bailey, Christopher G [Pleasanton, CA; Willis, Ladona [Manteca, CA; Masquelier, Donald A [Tracy, CA; Nasarabadi, Shanavaz L [Livermore, CA

2009-03-17

A system for sampling air and collecting particles entrained in the air comprising a receiving surface, a liquid input that directs liquid to the receiving surface and produces a liquid surface, an air input that directs the air so that the air with particles entrained in the air impact the liquid surface, and an electrostatic contact connected to the liquid that imparts an electric charge to the liquid. The particles potentially including bioagents become captured in the liquid by the air with particles entrained in the air impacting the liquid surface. Collection efficiency is improved by the electrostatic contact electrically charging the liquid. The effects of impaction and adhesion due to electrically charging the liquid allows a unique combination in a particle capture medium that has a low fluid consumption rate while maintaining high efficiency.

Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins.

PubMed

Gunner, M R; Baker, N A

2016-01-01

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

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl

2013-06-11

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

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl

2016-07-05

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

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl

2006-10-31

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

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl

2006-04-11

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

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman [Irvine, CA; Binderbauer, Michl [Irvine, CA

2009-08-04

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

Formation of Electrostatic Potential Drops in the Auroral Zone

NASA Technical Reports Server (NTRS)

Schriver, D.; Ashour-Abdalla, M.; Richard, R. L.

2001-01-01

In order to examine the self-consistent formation of large-scale quasi-static parallel electric fields in the auroral zone on a micro/meso scale, a particle in cell simulation has been developed. The code resolves electron Debye length scales so that electron micro-processes are included and a variable grid scheme is used such that the overall length scale of the simulation is of the order of an Earth radii along the magnetic field. The simulation is electrostatic and includes the magnetic mirror force, as well as two types of plasmas, a cold dense ionospheric plasma and a warm tenuous magnetospheric plasma. In order to study the formation of parallel electric fields in the auroral zone, different magnetospheric ion and electron inflow boundary conditions are used to drive the system. It has been found that for conditions in the primary (upward) current region an upward directed quasi-static electric field can form across the system due to magnetic mirroring of the magnetospheric ions and electrons at different altitudes. For conditions in the return (downward) current region it is shown that a quasi-static parallel electric field in the opposite sense of that in the primary current region is formed, i.e., the parallel electric field is directed earthward. The conditions for how these different electric fields can be formed are discussed using satellite observations and numerical simulations.

Determination of Ion Atmosphere Effects on the Nucleic Acid Electrostatic Potential and Ligand Association Using AH+·C Wobble Formation in Double-Stranded DNA

PubMed Central

2017-01-01

The high charge density of nucleic acids and resulting ion atmosphere profoundly influence the conformational landscape of RNA and DNA and their association with small molecules and proteins. Electrostatic theories have been applied to quantitatively model the electrostatic potential surrounding nucleic acids and the effects of the surrounding ion atmosphere, but experimental measures of the potential and tests of these models have often been complicated by conformational changes and multisite binding equilibria, among other factors. We sought a simple system to further test the basic predictions from electrostatics theory and to measure the energetic consequences of the nucleic acid electrostatic field. We turned to a DNA system developed by Bevilacqua and co-workers that involves a proton as a ligand whose binding is accompanied by formation of an internal AH+·C wobble pair [Siegfried, N. A., et al. Biochemistry, 2010, 49, 3225]. Consistent with predictions from polyelectrolyte models, we observed logarithmic dependences of proton affinity versus salt concentration of −0.96 ± 0.03 and −0.52 ± 0.01 with monovalent and divalent cations, respectively, and these results help clarify prior results that appeared to conflict with these fundamental models. Strikingly, quantitation of the ion atmosphere content indicates that divalent cations are preferentially lost over monovalent cations upon A·C protonation, providing experimental indication of the preferential localization of more highly charged cations to the inner shell of the ion atmosphere. The internal AH+·C wobble system further allowed us to parse energetic contributions and extract estimates for the electrostatic potential at the position of protonation. The results give a potential near the DNA surface at 20 mM Mg2+ that is much less substantial than at 20 mM K+ (−120 mV vs −210 mV). These values and difference are similar to predictions from theory, and the potential is substantially reduced at higher salt, also as predicted; however, even at 1 M K+ the potential remains substantial, counter to common assumptions. The A·C protonation module allows extraction of new properties of the ion atmosphere and provides an electrostatic meter that will allow local electrostatic potential and energetics to be measured within nucleic acids and their complexes with proteins. PMID:28489947

Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energies.

PubMed

Kamerlin, Shina C L; Haranczyk, Maciej; Warshel, Arieh

2009-02-05

Hybrid quantum mechanical/molecular mechanical (QM/MM) approaches have been used to provide a general scheme for chemical reactions in proteins. However, such approaches still present a major challenge to computational chemists, not only because of the need for very large computer time in order to evaluate the QM energy but also because of the need for proper computational sampling. This review focuses on the sampling issue in QM/MM evaluations of electrostatic energies in proteins. We chose this example since electrostatic energies play a major role in controlling the function of proteins and are key to the structure-function correlation of biological molecules. Thus, the correct treatment of electrostatics is essential for the accurate simulation of biological systems. Although we will be presenting different types of QM/MM calculations of electrostatic energies (and related properties) here, our focus will be on pKa calculations. This reflects the fact that pKa's of ionizable groups in proteins provide one of the most direct benchmarks for the accuracy of electrostatic models of macromolecules. While pKa calculations by semimacroscopic models have given reasonable results in many cases, existing attempts to perform pKa calculations using QM/MM-FEP have led to discrepancies between calculated and experimental values. In this work, we accelerate our QM/MM calculations using an updated mean charge distribution and a classical reference potential. We examine both a surface residue (Asp3) of the bovine pancreatic trypsin inhibitor and a residue buried in a hydrophobic pocket (Lys102) of the T4-lysozyme mutant. We demonstrate that, by using this approach, we are able to reproduce the relevant side chain pKa's with an accuracy of 3 kcal/mol. This is well within the 7 kcal/mol energy difference observed in studies of enzymatic catalysis, and is thus sufficient accuracy to determine the main contributions to the catalytic energies of enzymes. We also provide an overall perspective of the potential of QM/MM calculations in general evaluations of electrostatic free energies, pointing out that our approach should provide a very powerful and accurate tool to predict the electrostatics of not only solution but also enzymatic reactions, as well as the solvation free energies of even larger systems, such as nucleic acid bases incorporated into DNA.

Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors

NASA Astrophysics Data System (ADS)

Cho, Yeongsu; Berkelbach, Timothy C.

2018-01-01

We present an electrostatic theory of band-gap renormalization in atomically thin semiconductors that captures the strong sensitivity to the surrounding dielectric environment. In particular, our theory aims to correct known band gaps, such as that of the three-dimensional bulk crystal. Combining our quasiparticle band gaps with an effective-mass theory of excitons yields environmentally sensitive optical gaps as would be observed in absorption or photoluminescence. For an isolated monolayer of MoS2, the presented theory is in good agreement with ab initio results based on the G W approximation and the Bethe-Salpeter equation. We find that changes in the electronic band gap are almost exactly offset by changes in the exciton binding energy such that the energy of the first optical transition is nearly independent of the electrostatic environment, rationalizing experimental observations.

New results on the generation of broadband electrostatic waves in the magnetotail

NASA Technical Reports Server (NTRS)

Grabbe, C. L.

1985-01-01

The theory of the generation of broadband electrostatic noise (BEN) in the magnetotail is extended through numerical solution of the dispersion relation under conditions that exist in the plasma sheet boundary layer. It is found that the low-frequency portion of the spectrum has a broad angular spectrum but a fairly sharp peak near 75 deg with respect to the magnetic field, while the high-frequency portion has a narrower angular spectrum that is strongly concentrated along the magnetic field line. These results are in excellent agreement with observations of the broadband wave spectrum and a recent measurement of the propagation direction. The effect of a second cold component of electrons is analyzed, and it is found that it can increase the upper cutoff frequency of BEN to the observed value at about the plasma frequency.

Fine Spectral Properties of Langmuir Waves Observed Upstream of the Saturn's Bowshock by the Cassini Wideband Receiver

NASA Astrophysics Data System (ADS)

Hospodarsky, G. B.; Pisa, D.; Santolik, O.; Kurth, W. S.; Soucek, J.; Basovnik, M.; Gurnett, D. A.; Arridge, C. S.

2015-12-01

Langmuir waves are commonly observed in the upstream regions of planetary and interplanetary shock. Solar wind electrons accelerated at the shock front are reflected back into the solar wind and can form electron beams. In regions with beams, the electron distribution becomes unstable and electrostatic waves can be generated. The process of generation and the evolution of electrostatic waves strongly depends on the solar wind electron distribution and generally exhibits complex behavior. Langmuir waves can be identified as intense narrowband emission at a frequency very close to the local plasma frequency and weaker broadband waves below and above the plasma frequency deeper in the downstream region. We present a detailed study of Langmuir waves detected upstream of the Saturnian bowshock by the Cassini spacecraft. Using data from the Radio and Plasma Wave Science (RPWS), Magnetometer (MAG) and Cassini Plasma Spectrometer (CAPS) instruments we have analyzed several periods containing the extended waveform captures by the Wideband Receiver. Langmuir waves are a bursty emission highly controlled by variations in solar wind conditions. Unfortunately due to a combination of instrumental field of view and sampling period, it is often difficult to identify the electron distribution function that is unstable and able to generate Langmuir waves. We used an electrostatic version of particle-in-cell simulation of the Langmuir wave generation process to reproduce some of the more subtle observed spectral features and help understand the late stages of the instability and interactions in the solar wind plasma.

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.

Electrostatics Explains the Position-Dependent Effect of G⋅U Wobble Base Pairs on the Affinity of RNA Kissing Complexes.

PubMed

Abi-Ghanem, Josephine; Rabin, Clémence; Porrini, Massimiliano; Dausse, Eric; Toulmé, Jean-Jacques; Gabelica, Valérie

2017-10-06

In the RNA realm, non-Watson-Crick base pairs are abundant and can affect both the RNA 3D structure and its function. Here, we investigated the formation of RNA kissing complexes in which the loop-loop interaction is modulated by non-Watson-Crick pairs. Mass spectrometry, surface plasmon resonance, and UV-melting experiments show that the G⋅U wobble base pair favors kissing complex formation only when placed at specific positions. We tried to rationalize this effect by molecular modeling, including molecular mechanics Poisson-Boltzmann surface area (MMPBSA) thermodynamics calculations and PBSA calculations of the electrostatic potential surfaces. Modeling reveals that the G⋅U stabilization is due to a specific electrostatic environment defined by the base pairs of the entire loop-loop region. The loop is not symmetric, and therefore the identity and position of each base pair matters. Predicting and visualizing the electrostatic environment created by a given sequence can help to design specific kissing complexes with high affinity, for potential therapeutic, nanotechnology or analytical applications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A numerical study on liquid charging inside electrostatic atomizers

NASA Astrophysics Data System (ADS)

Kashir, Babak; Perri, Anthony; Sankaran, Abhilash; Staszel, Christopher; Yarin, Alexander; Mashayek, Farzad

2016-11-01

The charging of the dielectric liquid inside an electrostatic atomizer is studied numerically by developing codes based on the OpenFOAM platform. Electrostatic atomization is an appealing technology in painting, fuel injection and oil coating systems due to improved particle-size distribution, enhanced controlability of droplets' trajectories and lower power consumption. The numerical study is conducted concurrently to an experimental investigation to facilitate the validation and deliver feedback for further development. The atomizer includes a pin electrode that is placed at the center of a converging chamber. The chamber orifice is located at a known distance from the electrode tip. The pin electrode is connected to a high voltage that leads to the charging of the liquid. In the present work, the theoretical foundations of separated treatment of the polarized layer and the electronuetral bulk flow are set by describing the governing equations, relevant boundary conditions and the matching condition between these two domains. The resulting split domains are solved numerically to find the distribution of velocity and electrostatic fields over the specified regions. National Science Foundation Award Number: 1505276.

A retrospective of the career of Ray Herb

NASA Astrophysics Data System (ADS)

Norton, G. A.; Ferry, J. A.; Daniel, R. E.; Klody, G. M.

1999-04-01

Ray Herb's career in the development of electrostatic accelerators spans 65 years. He began in 1933 by pressurizing a Van de Graaff generator, for the first time. Over the next six years, the group at the University of Wisconsin, under his direction, developed the fundamentals of equipotential rings, potential grading, corona triode control, and other basic mechanisms for the practical use of electrostatic accelerators while making fundamental contributions to experimental nuclear physics. This group held the world's record in sustaining potential difference of 4.5 MV. During World War II, he worked on radar at the Radiation Laboratory. After the war, Herb resumed his career with further fundamental contributions including metal/ceramic bonding, ultrahigh vacuum pumping, negative ion source development and metal charge carriers. The company, National Electrostatics, under his direction manufactured the accelerator which still holds the world's record for the highest sustained potential difference of 32±1.5 MV. Throughout his career he led teams which made the electrostatic accelerator a valuable tool for applications in a wide variety of scientific fields, well beyond nuclear physics.

Spectral fingerprint of electrostatic forces between biological cells

NASA Astrophysics Data System (ADS)

Murovec, T.; Brosseau, C.

2015-10-01

The prediction of electrostatic forces (EFs) between biological cells still poses challenges of great scientific importance, e.g., cell recognition, electroporation (EP), and mechanosensing. Frequency-domain finite element simulations explore a variety of cell configurations in the range of parameters typical for eukaryotic cells. Here, by applying an electric field to a pair of layered concentric shells, a prototypical model of a biological cell, we provide numerical evidence that the instantaneous EF changes from repulsion to attraction as the drive frequency of the electric field is varied. We identify crossover frequencies and discuss their dependence as a function of field frequency, conductivity of the extracellular medium, and symmetry of the configuration of cells. We present findings which suggest that the spectrum of EFs depends sensitively on the configuration of cells. We discuss the signatures of the collective behavior of systems with many cells in the spectrum of the EF and highlight a few of the observational consequences that this behavior implies. By looking at different cell configurations, we are able to show that the repulsion-to-attraction transition phenomenon is largely associated with an asymmetric electrostatic screening at very small separation between cells. These findings pave the way for the experimental observation of the electromagnetic properties of efficient and simple models of biological tissues.

Membrane-Induced Structural Rearrangement and Identification of a Novel Membrane Anchor in Talin F2F3

PubMed Central

Arcario, Mark J.; Tajkhorshid, Emad

2014-01-01

Experimental challenges associated with characterization of the membrane-bound form of talin have prevented us from understanding the molecular mechanism of its membrane-dependent integrin activation. Here, utilizing what we believe to be a novel membrane mimetic model, we present a reproducible model of membrane-bound talin observed across multiple independent simulations. We characterize both local and global membrane-induced structural transitions that successfully reconcile discrepancies between biochemical and structural studies and provide insight into how talin might modulate integrin function. Membrane binding of talin, captured in unbiased simulations, proceeds through three distinct steps: initial electrostatic recruitment of the F2 subdomain to anionic lipids via several basic residues; insertion of an initially buried, conserved hydrophobic anchor into the membrane; and association of the F3 subdomain with the membrane surface through a large, interdomain conformational change. These latter two steps, to our knowledge, have not been observed or described previously. Electrostatic analysis shows talin F2F3 to be highly polarized, with a highly positive underside, which we attribute to the initial electrostatic recruitment, and a negative top face, which can help orient the protein optimally with respect to the membrane, thereby reducing the number of unproductive membrane collision events. PMID:25418091

Spectral fingerprint of electrostatic forces between biological cells.

PubMed

Murovec, T; Brosseau, C

2015-10-01

The prediction of electrostatic forces (EFs) between biological cells still poses challenges of great scientific importance, e.g., cell recognition, electroporation (EP), and mechanosensing. Frequency-domain finite element simulations explore a variety of cell configurations in the range of parameters typical for eukaryotic cells. Here, by applying an electric field to a pair of layered concentric shells, a prototypical model of a biological cell, we provide numerical evidence that the instantaneous EF changes from repulsion to attraction as the drive frequency of the electric field is varied. We identify crossover frequencies and discuss their dependence as a function of field frequency, conductivity of the extracellular medium, and symmetry of the configuration of cells. We present findings which suggest that the spectrum of EFs depends sensitively on the configuration of cells. We discuss the signatures of the collective behavior of systems with many cells in the spectrum of the EF and highlight a few of the observational consequences that this behavior implies. By looking at different cell configurations, we are able to show that the repulsion-to-attraction transition phenomenon is largely associated with an asymmetric electrostatic screening at very small separation between cells. These findings pave the way for the experimental observation of the electromagnetic properties of efficient and simple models of biological tissues.

Numerical Study of Electrostatic Field Distortion on LPTPC End-Plates based on Bulk Micromegas Modules

NASA Astrophysics Data System (ADS)

Bhattacharya, Purba; Bhattacharya, Deb Sankar; Mukhopadhyay, Supratik; Majumdar, Nayana; Bhattacharya, Sudeb; Colas, Paul; Attié, David

2018-02-01

The R&D activities for the linear collider TPC (LC-TPC) are currently working on the adoption of the micro pattern devices for the gaseous amplification stage. Several beam tests have been carried out at DESY with a 5 GeV electron beam in a 1 T superconducting magnet. We worked on a large prototype TPC with an end-plate that was built, for the first time, using seven resistive bulk Micromegas modules. During experiments, reduced signal sensitivity was observed at the boundary of these modules. Electrostatic field distortion near the module boundaries was considered to be the possible major reason behind these observations. In the present work, we will explore this hypothesis through numerical simulation. Our aim has been to understand the origin of distortions observed close to the edges of the test beam modules and to explore the possibility of using the Garfield simulation framework for investigating a phenomenon as complex as distortion.

Rippled disc electrostatic generator/motor configurations utilizing magnetic insulation

DOEpatents

Post, Richard F

2017-04-04

Electrostatic generators/motors designs are provided that generally may include a first rippled stator centered about a longitudinal axis; a second rippled stator centered about the axis, a first rippled rotor centered about the axis and located between the first rippled stator and the second rippled stator. A magnetic field having field lines about parallel with the average plane of at least one of the first rippled stator or the second rippled stator is provided with either a Halbach array configuration or a conductor array configuration.

Turbulent particulate transportation during electrostatic precipitation

NASA Astrophysics Data System (ADS)

Choi, Bum Seog

The generation of secondary flows and turbulence by a corona discharge influences particle transport in an electrostatic precipitator (ESP), and is known to play an important role in the particle collection process. However, it is difficult to characterise theoretically and experimentally the ``turbulent'' fluctuations of the gas flow produced by negative tuft corona. Because of this difficulty, only limited studies have been undertaken previously to understand the structure of corona-induced turbulence and its influence on particle transport in ESPs. The present study is aimed at modelling electrohydrodynamic turbulent flows and particle transport, and at establishing an unproved understanding of them. For a multiply interactive coupling of electrostatics, fluid dynamics and particle dynamics, a strongly coupled system of the governing equations has been solved. The present computer model has considered the most important interaction mechanisms including an ionic wind, corona- induced turbulence and the particle space charge effect. Numerical simulations have been performed for the extensive validation of the numerical and physical models. To account for electrically excited turbulence associated with the inhomogeneous and unsteady characteristics of negative corona discharges, a new turbulence model (called the electrostatic turbulence model) has been developed. In this, an additional production or destruction term is included into the turbulent kinetic energy and dissipation rate equations. It employs a gradient type model of the current density and an electrostatic diffusivity concept. The results of the computation show that the electrostatic turbulence model gives much better agreement with the experimental data than the conventional RNG k-ɛ turbulence model when predicting turbulent gas flows and particle distributions in an ESP. Computations of turbulent particulate two-phase flows for both mono-dispersed and poly-dispersed particles have been performed. The effects of coriona-induced turbulence and the particle space charge on particle transport and the collection process have been investigated. The calculated results for the poly-dispersed particulate flow were compared with those of the mono-dispersed particulate flow, and significant differences were demonstrated. It is established that effective particle- particle interaction occurs, due to the influence of the particle space charge, even for dilute gas-particle flows that occur in ESPs.

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).

Effect of humic acid on the sorption of perfluorooctane sulfonate (PFOS) and perfluorobutane sulfonate (PFBS) on boehmite.

PubMed

Wang, Fei; Shih, Kaimin; Leckie, James O

2015-01-01

The sorption of PFOS and PFBS on boehmite was significantly retarded by the competitive sorption of humic acid (HA), implying that PFOS and PFBS are likely more mobile in water and groundwater systems enriched with HA. The sorption behavior of PFOS and PFBS on the HA-modified boehmite surface were also found to differ due to their different chain lengths. For a partially HA-modified boehmite surface, the isotherm study showed that PFOS had a much higher maximum sorption capacity than PFBS and that PFOS might possess additional surface interactions besides electrostatic interaction. For a HA-saturated boehmite, a linear sorption isotherm was found for PFOS while nearly no PFBS sorption was observed. This indicates that sorption behavior between PFOS and the sorbed HA on boehmite was dominated by hydrophobic interactions, instead of electrostatic interaction. In addition, a conceptual model combining hydrophobic and electrostatic interaction was established to explain the sorption behavior of PFOS and PFBS on HA-modified boehmite. Finally, the results revealed that the sorption of PFOS and PFBS on HA-modified boehmite is pH-dependent. The neutralization of negative sites on HA-modified boehmite reduced the electrostatic repulsion and enhanced the partitioning of PFBS on the sorbed HA. Copyright © 2014 Elsevier Ltd. All rights reserved.

Forces between Two Glass Surfaces with Adsorbed Hexadecyltrimethylammonium Salicylate.

PubMed

Imae, T; Kato, M; Rutland, M

2000-02-22

Forces have been measured for hexadecyltrimethylammonium salicylate (C(16)TASal) layers on glass beads. During the inward process, hydrophobic attraction occurred at lower adsorption of C(16)TASal and electrostatic repulsion interactions happened at higher adsorption. While the jump-in phenomenon was observed for solutions of concentrations below the critical micelle concentration (cmc = 0.15 mM), the step-in phenomenon was characteristic for solutions at the cmc and above the cmc, suggesting the push-out of adsorbed C(16)TASal layers and/or inserted micelles. The remarkable pull-off phenomenon on the outward process occurred for all solutions, indicating a strong interaction between C(16)TASal molecules. For aqueous 0.15 mM C(16)TASal solutions of various NaSal concentrations, on the inward process, the electrostatic repulsive interaction decreased with adding NaSal. This is due to the electrostatic shielding by salt excess. The height of the force wall on the inward process reached a maximum at 0.01 M NaSal, but the interlocking between molecules on two surfaces during the outward process was minimized at 0.1 M NaSal. These tendencies, which are different from that of the electrostatic repulsion interaction, imply the strong cohesion between adsorbed C(16)TASal layers.

Global Distributions of Ionospheric Electrostatic Potentials for Various Interplanetary Conditions

NASA Astrophysics Data System (ADS)

Kartalev, M.; Papitashvili, V.; Keremidarska, V.; Grigorov, K.; Romanov, D.

2001-12-01

We report on a study of the global ionospheric electrostatic potential distributions obtained from combining two algorithms used for the mapping of high-latitude and middle-latitude ionospheric electrodynamics; that is, the LiMIE (http://www.sprl.umich.edu/mist/) and IMEH (http://geospace.nat.bg) models, respectively. In this combination, the latter model utilizes the LiMIE high-latitude field-aligned current distributions for various IMF conditions and different seasons (summer, winter, equinox). The IMEH model is a mathematical tool, allowing us to study conjugacy (or non-conjugacy) of the ionospheric electric fields on a global scale, from the northern and southern polar regions to the middle- and low-latitudes. The proposed numerical scheme permits testing of different mechanisms of the interhemispheric coupling and mapping to the ionosphere through the appropriate current systems. The scheme is convenient for determining self-consistently the separatrices in both the northern and southern hemispheres. In this study we focus on the global ionospheric electrostatic field distributions neglecting other possible electric field sources. Considering some implications of the proposed technique for the space weather specification and forecasting, we developed a Web-based interface providing global distributions of the ionospheric electrostatic potentials in near-real time from the ACE upstream solar wind observations at L1.

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

NASA Astrophysics Data System (ADS)

Zahid, F.; Paulsson, M.; Polizzi, E.; Ghosh, A. W.; Siddiqui, L.; Datta, S.

2005-08-01

We present a transport model for molecular conduction involving an extended Hückel theoretical treatment of the molecular chemistry combined with a nonequilibrium Green's function treatment of quantum transport. The self-consistent potential is approximated by CNDO (complete neglect of differential overlap) method and the electrostatic effects of metallic leads (bias and image charges) are included through a three-dimensional finite element method. This allows us to capture spatial details of the electrostatic potential profile, including effects of charging, screening, and complicated electrode configurations employing only a single adjustable parameter to locate the Fermi energy. As this model is based on semiempirical methods it is computationally inexpensive and flexible compared to ab initio models, yet at the same time it is able to capture salient qualitative features as well as several relevant quantitative details of transport. We apply our model to investigate recent experimental data on alkane dithiol molecules obtained in a nanopore setup. We also present a comparison study of single molecule transistors and identify electronic properties that control their performance.

High to ultra-high power electrical energy storage.

PubMed

Sherrill, Stefanie A; Banerjee, Parag; Rubloff, Gary W; Lee, Sang Bok

2011-12-14

High power electrical energy storage systems are becoming critical devices for advanced energy storage technology. This is true in part due to their high rate capabilities and moderate energy densities which allow them to capture power efficiently from evanescent, renewable energy sources. High power systems include both electrochemical capacitors and electrostatic capacitors. These devices have fast charging and discharging rates, supplying energy within seconds or less. Recent research has focused on increasing power and energy density of the devices using advanced materials and novel architectural design. An increase in understanding of structure-property relationships in nanomaterials and interfaces and the ability to control nanostructures precisely has led to an immense improvement in the performance characteristics of these devices. In this review, we discuss the recent advances for both electrochemical and electrostatic capacitors as high power electrical energy storage systems, and propose directions and challenges for the future. We asses the opportunities in nanostructure-based high power electrical energy storage devices and include electrochemical and electrostatic capacitors for their potential to open the door to a new regime of power energy.

Deconvolution of Raman spectroscopic signals for electrostatic, H-bonding, and inner-sphere interactions between ions and dimethyl phosphate in solution

PubMed Central

Christian, Eric L; Anderson, Vernon E.; Harris, Michael E

2011-01-01

Quantitative analysis of metal ion-phosphodiester interactions is a significant experimental challenge due to the complexities introduced by inner-sphere, outer-sphere (H-bonding with coordinated water), and electrostatic interactions that are difficult to isolate in solution studies. Here, we provide evidence that inner-sphere, H-bonding and electrostatic interactions between ions and dimethyl phosphate can be deconvoluted through peak fitting in the region of the Raman spectrum for the symmetric stretch of non-bridging phosphate oxygens (νsPO 2-). An approximation of the change in vibrational spectra due to different interaction modes is achieved using ions capable of all or a subset of the three forms of metal ion interaction. Contribution of electrostatic interactions to ion-induced changes to the Raman νsPO2- signal could be modeled by monitoring attenuation of νsPO2- in the presence of tetramethylammonium, while contribution of H-bonding and inner-sphere coordination could be approximated from the intensities of altered νsPO2- vibrational modes created by an interaction with ammonia, monovalent or divalent ions. A model is proposed in which discrete spectroscopic signals for inner-sphere, H-bonding, and electrostatic interactions are sufficient to account for the total observed change in νsPO2- signal due to interaction with a specific ion capable of all three modes of interaction. Importantly, the quantitative results are consistent with relative levels of coordination predicted from absolute electronegativity and absolute hardness of alkali and alkaline earth metals. PMID:21334281

Effective solutions for monitoring the electrostatic separation of metal and plastic granular waste from electric and electronic equipment.

PubMed

Senouci, Khouira; Medles, Karim; Dascalescu, Lucian

2013-02-01

The variability of the quantity and purity of the recovered materials is a serious drawback for the application of electrostatic separation technologies to the recycling of granular wastes. In a series of previous articles we have pointed out how capability and classic control chart concepts could be employed for better mastering the outcome of such processes. In the present work, the multiple exponentially weighted moving average (MEWMA) control chart is introduced and shown to be more effective than the Hotelling T2 chart for monitoring slow varying changes in the electrostatic separation of granular mixtures originating from electric and electronic equipment waste. The operation of the industrial process was simulated by using a laboratory roll-type electrostatic separator and granular samples resulting from shredded electric cable wastes. The 25 tests carried out during the observation phase enabled the calculation of the upper and lower control limits for the two control charts considered in the present study. The 11 additional tests that simulated the monitoring phase pointed out that the MEWMA chart is more effective than Hotelling's T(2) chart in detecting slow varying changes in the outcome of a process. As the reverse is true in the case of abrupt alterations of monitored process performances, simultaneous usage of the two control charts is strongly recommended. While this study focused on a specific electrostatic separation process, using the MEWMA chart together with the well known Hotelling's T(2) chart should be applicable to the statistical control of other complex processes in the field of waste processing.

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

NASA Astrophysics Data System (ADS)

Minárik, Stanislav

2015-08-01

A constant potential is applied to the acceleration of the ion-beam in the tandem type electrostatic accelerator. However, not just one voltage is applied, but instead a number of applications can be made in succession by means of the tandem arrangement of high voltage tubes. This number of voltage applications, which is the number of so-called "stages" of a tandem accelerator, may be two, three, or four, depending on the chosen design. Electrostatic field with approximately constant intensity acts on ions in any stage. In general, non-relativistic dynamics is used for the description of the ion transport in tandem accelerator. Energies of accelerated ions are too low and relativistic effects cannot be commonly observed by standard experimental technique. Estimation of possible relativistic correction of ion trajectories is therefore only a matter of calculation. In this note, we briefly present such calculation. Our aim is to show how using the relativistic dynamics modifies the particles trajectory in tandem type accelerator and what parameters determine this modification.

Effects of non-Gaussian Brownian motion on direct force optical tweezers measurements of the electrostatic forces between pairs of colloidal particles.

PubMed

Raudsepp, Allan; A K Williams, Martin; B Hall, Simon

2016-07-01

Measurements of the electrostatic force with separation between a fixed and an optically trapped colloidal particle are examined with experiment, simulation and analytical calculation. Non-Gaussian Brownian motion is observed in the position of the optically trapped particle when particles are close and traps weak. As a consequence of this motion, a simple least squares parameterization of direct force measurements, in which force is inferred from the displacement of an optically trapped particle as separation is gradually decreased, contains forces generated by the rectification of thermal fluctuations in addition to those originating directly from the electrostatic interaction between the particles. Thus, when particles are close and traps weak, simply fitting the measured direct force measurement to DLVO theory extracts parameters with modified meanings when compared to the original formulation. In such cases, however, physically meaningful DLVO parameters can be recovered by comparing the measured non-Gaussian statistics to those predicted by solutions to Smoluchowski's equation for diffusion in a potential.

Charles Augustin Coulomb and the fundamental law of electrostatics

NASA Astrophysics Data System (ADS)

Falconer, Isobel

2004-10-01

In his famous experiment on the inverse square law of electrostatics, Coulomb neither defined electric charge nor gave reliable measurements of the force-distance relation. Yet the experiment has often been viewed as the basis of the fundamental law of electrostatics. This paper discusses Coulomb's life, showing the context within which he was working, how he arrived at the experiment, and the use he made of it. Physics in France in the late 18th century was undergoing a transformation from a science of holistic observation and explanations to one of universal laws and exact measurement. Coulomb was both a subject of, and an important contributor to, this change, and these two aspects are evident in his approach to the experiment and to the later uptake of his results. The reaction in the rest of Europe was initially less favourable, and the ultimate fame of Coulomb's experiment was dependent on the triumph of French mathematical physics in the 19th century.

Efficiency of Tungsten Dust Collection of Different Types of Dust Particles by Electrostatic Probe

NASA Astrophysics Data System (ADS)

Begrambekov, L. B.; Voityuk, A. N.; Zakharov, A. M.; Bidlevich, O. A.; Vechshev, E. A.; Shigin, P. A.; Vayakis, J.; Walsh, M.

2017-12-01

Formation of dust particles and clusters is observed in almost every modern thermonuclear facility. Accumulation of dust in the next generation thermonuclear installations can dramatically affect the plasma parameters and lead to the accumulation of unacceptably large amounts of tritium. Experiments on collection of dust particles by a model of electrostatic probe developed for collection of metallic dust at ITER are described in the article. Experiments on the generation of tungsten dust consisting of flakes formed during the destruction of tungsten layers formed on the walls of the plasma chamber sputtered from the surface of the tungsten target by plasma ions were conducted. The nature of dust degassing at elevated temperatures and the behavior of dust in an electric field were studied. The results obtained are compared with the results of the experiments with dust consisting of crystal particles of simple geometric shapes. The effectiveness of collection of both types of dust using the model of an electrostatic probe is determined.

Nanoscale observation of local bound charges of patterned protein arrays by scanning force microscopy

NASA Astrophysics Data System (ADS)

Oh, Y. J.; Jo, W.; Kim, S.; Park, S.; Kim, Y. S.

2008-09-01

A protein patterned surface using micro-contact printing methods has been investigated by scanning force microscopy. Electrostatic force microscopy (EFM) was utilized for imaging the topography and detecting the electrical properties such as the local bound charge distribution of the patterned proteins. It was found that the patterned IgG proteins are arranged down to 1 µm, and the 90° rotation of patterned anti-IgG proteins was successfully undertaken. Through the estimation of the effective areas, it was possible to determine the local bound charges of patterned proteins which have opposite electrostatic force behaviors. Moreover, we studied the binding probability between IgG and anti-IgG in a 1 µm2 MIMIC system by topographic and electrostatic signals for applicable label-free detections. We showed that the patterned proteins can be used for immunoassay of proteins on the functional substrate, and that they can also be used for bioelectronics device application, indicating distinct advantages with regard to accuracy and a label-free detection.

Electrostatic ion-cyclotron waves in a nonuniform magnetic field

NASA Technical Reports Server (NTRS)

Cartier, S. L.; Dangelo, N.; Merlino, R. L.

1985-01-01

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

Electrostatic atomization: Effect of electrode materials on electrostatic atomizer performance

NASA Astrophysics Data System (ADS)

Sankaran, Abhilash; Staszel, Christopher; Kashir, Babak; Perri, Anthony; Mashayek, Farzad; Yarin, Alexander

2016-11-01

Electrostatic atomization was studied experimentally with a pointed electrode in a converging nozzle. Experiments were carried out on poorly conductive canola oil where it was observed that electrode material may affect charge transfer. This points at the possible faradaic reactions that can occur at the surfaces of the electrodes. The supply voltage is applied to the sharp electrode and the grounded nozzle body constitutes the counter-electrode. The charge transfer is controlled by the electrochemical reactions on both the electrodes. The electrical performance study of the atomizer issuing a charged oil jet was conducted using three different nozzle body materials - brass, copper and stainless steel. Also, two sharp electrode materials - brass and stainless steel - were tested. The experimental results revealed that both the nozzle body material, as well as the sharp electrode material affected the spray and leak currents. Moreover, the effect of the sharp electrode material is quite significant. This research is supported by NSF Grant 1505276.

Colorado Upper-Division Electrostatics diagnostic: A conceptual assessment for the junior level

NASA Astrophysics Data System (ADS)

Chasteen, Stephanie V.; Pepper, Rachel E.; Caballero, Marcos D.; Pollock, Steven J.; Perkins, Katherine K.

2012-12-01

As part of an effort to systematically improve our junior-level E&M I course, we have developed a tool to assess student conceptual learning of electrostatics at the upper division. Together with a group of physics faculty, we established a list of learning goals for the course that, with results from student observations and interviews, served as a guide in creating the Colorado Upper-Division Electrostatics (CUE) assessment. The result is a 17-question open-ended post-test diagnostic (with an optional 7-question pretest) and an accompanying grading rubric. We present measures of the validation and reliability of the instrument and grading rubric, plus results from 535 students in both standard and interactive-engagement courses across seven institutions as a baseline for the instrument. Overall, we find that the CUE is a valid and reliable measure, and the data herein are intended to be of use to researchers and faculty interested in using the CUE to measure student learning.

Sorption of poly(hexamethylenebiguanide) on cellulose: mechanism of binding and molecular recognition.

PubMed

Blackburn, Richard S; Harvey, Anna; Kettle, Lorna L; Payne, John D; Russell, Stephen J

2006-06-20

Antimicrobial agents such as poly(hexamethylene biguanide) (PHMB) find application in medical, apparel, and household textile sectors; although it is understood that certain concentrations need to be applied to achieve suitable performance, there has been very little work published concerning the interactions of the polymer and its adsorption mechanism on cellulose. In this paper, such physical chemistry parameters are examined and related to computational chemistry studies. Adsorption isotherms were constructed: at low concentrations, these were typical Langmuir isotherms; at higher concentrations, they were more indicative of Freundlich isotherms, attributed to a combination of electrostatic and hydrogen-bonding forces, which endorsed computational chemistry proposals. At lower concentrations, electrostatic interactions between PHMB and carboxylic acid groups in the cellulose dominate with a contribution to binding through hydrogen bonding; as the concentration of PHMB increases, hydrogen bonding with cellulose becomes increasingly dominant. At high PHMB concentrations, observations of increasing PHMB adsorption are attributed to monolayer aggregation and multilayer stacking of PHMB through electrostatic interactions with counterions and hydrogen bonding of biguanide groups.

Magnetic radiation shielding - An idea whose time has returned?

NASA Technical Reports Server (NTRS)

Landis, Geoffrey A.

1991-01-01

One solution to the problem of shielding crew from particulate radiation in space is to use active electromagnetic shielding. Practical types of shield include the magnetic shield, in which a strong magnetic field diverts charged particles from the crew region, and the magnetic/electrostatic plasma shield, in which an electrostatic field shields the crew from positively charged particles, while a magnetic field confines electrons from the space plasma to provide charge neutrality. Advances in technology include high-strength composite materials, high-temperature superconductors, numerical computational solutions to particle transport in electromagnetic fields, and a technology base for construction and operation of large superconducting magnets. These advances make electromagnetic shielding a practical alternative for near-term future missions.

Numerical method and FORTRAN program for the solution of an axisymmetric electrostatic collector design problem

NASA Technical Reports Server (NTRS)

Reese, O. W.

1972-01-01

The numerical calculation is described of the steady-state flow of electrons in an axisymmetric, spherical, electrostatic collector for a range of boundary conditions. The trajectory equations of motion are solved alternately with Poisson's equation for the potential field until convergence is achieved. A direct (noniterative) numerical technique is used to obtain the solution to Poisson's equation. Space charge effects are included for initial current densities as large as 100 A/sq cm. Ways of dealing successfully with the difficulties associated with these high densities are discussed. A description of the mathematical model, a discussion of numerical techniques, results from two typical runs, and the FORTRAN computer program are included.

Ion mass spectrometer

NASA Technical Reports Server (NTRS)

Neugebauer, M. (Inventor); Clay, D. R.; Goldstein, B. E.; Goldstein, R.

1984-01-01

An ion mass spectrometer is described which detects and indicates the characteristics of ions received over a wide angle, and which indicates the mass to charge ratio, the energy, and the direction of each detected ion. The spectrometer includes a magnetic analyzer having a sector magnet that passes ions received over a wide angle, and an electrostatic analyzer positioned to receive ions passing through the magnetic analyzer. The electrostatic analyzer includes a two dimensional ion sensor at one wall of the analyzer chamber, that senses not only the lengthwise position of the detected ion to indicate its mass to charge ratio, but also detects the ion position along the width of the chamber to indicate the direction in which the ion was traveling.

Generation of low-emittance electron beams in electrostatic accelerators for FEL applications

NASA Astrophysics Data System (ADS)

Chen, Teng; Elias, Luis R.

1995-02-01

This paper reports results of transverse emittance studies and beam propagation in electrostatic accelerators for free electron laser applications. In particular, we discuss emittance growth analysis of a low current electron beam system consisting of a miniature thermoionic electron gun and a National Electrostatics Accelerator (NEC) tube. The emittance growth phenomenon is discussed in terms of thermal effects in the electron gun cathode and aberrations produced by field gradient changes occurring inside the electron gun and throughout the accelerator tube. A method of reducing aberrations using a magnetic solenoidal field is described. Analysis of electron beam emittance was done with the EGUN code. Beam propagation along the accelerator tube was studied using a cylindrically symmetric beam envelope equation that included beam self-fields and the external accelerator fields which were derived from POISSON simulations.

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

“Capacitive Sensor” to Measure Flow Electrification and Prevent Electrostatic Hazards

PubMed Central

Paillat, Thierry; Touchard, Gerard; Bertrand, Yves

2012-01-01

At a solid/liquid interface, physico-chemical phenomena occur that lead to the separation of electrical charges, establishing a zone called electrical double layer. The convection of one part of these charges by the liquid flow is the cause of the flow electrification phenomenon which is suspected of being responsible of incidents in the industry. The P' Institute of Poitiers University and CNRS has developed an original sensor called “capacitive sensor” that allows the characterization of the mechanisms involved in the generation, accumulation and transfer of charges. As an example, this sensor included in the design of high power transformers, could easily show the evolution of electrostatic charge generation developed during the operating time of the transformer and, therefore, point out the operations leading to electrostatic hazards and, then, monitor the transformer to prevent such risks. PMID:23202162

Determining Trajectory of Triboelectrically Charged Particles, Using Discrete Element Modeling

NASA Technical Reports Server (NTRS)

2008-01-01

The Kennedy Space Center (KSC) Electrostatics and Surface Physics Laboratory is participating in an Innovative Partnership Program (IPP) project with an industry partner to modify a commercial off-the-shelf simulation software product to treat the electrodynamics of particulate systems. Discrete element modeling (DEM) is a numerical technique that can track the dynamics of particle systems. This technique, which was introduced in 1979 for analysis of rock mechanics, was recently refined to include the contact force interaction of particles with arbitrary surfaces and moving machinery. In our work, we endeavor to incorporate electrostatic forces into the DEM calculations to enhance the fidelity of the software and its applicability to (1) particle processes, such as electrophotography, that are greatly affected by electrostatic forces, (2) grain and dust transport, and (3) the study of lunar and Martian regoliths.

Formation of a field reversed configuration for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl

2003-12-16

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

Formation of a field reversed configuration for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl; Qerushi, Artan; Tahsiri, Hooshang

2007-02-20

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

Formation of a field reversed configuration for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl; Qerushi, Artan; Tahsiri, Hooshang

2006-02-07

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

Test progress on the electrostatic membrane reflector

NASA Technical Reports Server (NTRS)

Mihora, D. J.

1981-01-01

An extemely lightweight type of precision reflector antenna, being developed for potential deployment from the space shuttle, uses electrostatic forces to tension a thin membrane and form it into a concave reflector surface. The typical shuttle-deployed antenna would have a diameter of 100 meters and an RMS surface smoothness of 10 to 1 mm for operation at 1 to 10 GHz. NASA Langley Research Center built and is currently testing a subscale (16 foot diameter) model of the membrane reflector portion of such an antenna. Preliminary test results and principal factors affecting surface quality are addressed. Factors included are the effect of the perimeter boundary, splicing of the membrane, the long-scale smoothness of commercial membranes, and the spatial controllability of the membrane using voltage adjustments to alter the electrostatic pressure. Only readily available commercial membranes are considered.

Particle simulation of electromagnetic emissions from electrostatic instability driven by an electron ring beam on the density gradient

NASA Astrophysics Data System (ADS)

Horký, Miroslav; Omura, Yoshiharu; Santolík, Ondřej

2018-04-01

This paper presents the wave mode conversion between electrostatic and electromagnetic waves on the plasma density gradient. We use 2-D electromagnetic code KEMPO2 implemented with the generation of density gradient to simulate such a conversion process. In the dense region, we use ring beam instability to generate electron Bernstein waves and we study the temporal evolution of wave spectra, velocity distributions, Poynting flux, and electric and magnetic energies to observe the wave mode conversion. Such a conversion process can be a source of electromagnetic emissions which are routinely measured by spacecraft on the plasmapause density gradient.

Neutralization by a Corona Discharge Ionizer in Nitrogen Atmosphere

NASA Astrophysics Data System (ADS)

Ikeuchi, Toru; Takahashi, Kazunori; Ohkubo, Takahiro; Fujiwara, Tamiya

An electrostatic neutralization of multilayer-loading silicon wafers is demonstrated using a corona discharge ionizer in nitrogen atmosphere, where ac and dc voltages are applied to two needle electrodes for generation of the negative- and positive-charged particles, respectively. We observe a surface potential of the silicon wafer decreases from ±1kV to ±20V within three seconds. Moreover, the density profiles of the charged particles generated by the electrodes are experimentally and theoretically investigated in nitrogen and air atmospheres. Our results show the possibility that the negative-charged particles contributing to the electrostatic neutralization are electrons and negative ions in nitrogen and air atmospheres, respectively.

Kinetics of protein unfolding at interfaces

NASA Astrophysics Data System (ADS)

Yano, Yohko F.

2012-12-01

The conformation of protein molecules is determined by a balance of various forces, including van der Waals attraction, electrostatic interaction, hydrogen bonding, and conformational entropy. When protein molecules encounter an interface, they are often adsorbed on the interface. The conformation of an adsorbed protein molecule strongly depends on the interaction between the protein and the interface. Recent time-resolved investigations have revealed that protein conformation changes during the adsorption process due to the protein-protein interaction increasing with increasing interface coverage. External conditions also affect the protein conformation. This review considers recent dynamic observations of protein adsorption at various interfaces and their implications for the kinetics of protein unfolding at interfaces.

Orientationally ordered colloidal co-dispersions of gold nanorods and cellulose nanocrystals.

PubMed

Liu, Qingkun; Campbell, Michael G; Evans, Julian S; Smalyukh, Ivan I

2014-11-12

Nematic-like and helicoidally orientational self-assemblies of gold nanorods co-dispersed with cellulose nanocrystals to form liquid crystalline phases are developed. Polarization-sensitive extinction spectra and two-photon luminescence imaging are used to characterize orientations and spatial distributions of gold nanorods. Cholesteric-isotropic phase coexistence and continuous domains of single-phase regions are observed and qualitatively discussed on the basis of entropic and electrostatic interactions in co-dispersions of rigid rods of different aspect ratios. Potential applications include biologically compatible plasmonic composite nanomaterials for solar biofuel production and polarization-sensitive plasmonic papers and fabrics. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Viscosity minima in binary mixtures of ionic liquids + molecular solvents.

PubMed

Tariq, M; Shimizu, K; Esperança, J M S S; Canongia Lopes, J N; Rebelo, L P N

2015-05-28

The viscosity (η) of four binary mixtures (ionic liquids plus molecular solvents, ILs+MSs) was measured in the 283.15 < T/K < 363.15 temperature range. Different IL/MS combinations were selected in such a way that the corresponding η(T) functions exhibit crossover temperatures at which both pure components present identical viscosity values. Consequently, most of the obtained mixture isotherms, η(x), exhibit clear viscosity minima in the studied T-x range. The results are interpreted using auxiliary molecular dynamics (MD) simulation data in order to correlate the observed η(T,x) trends with the interactions in each mixture, including the balance between electrostatic forces and hydrogen bonding.

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

PubMed

Bernardino, Kalil; de Moura, André F

2015-10-13

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

Controlled Electrostatic Self-Assembly of Ibuprofen-Cationic Dextran Nanoconjugates Prepared by low Energy Green Process - a Novel Delivery Tool for Poorly Soluble Drugs.

PubMed

Abioye, Amos Olusegun; Kola-Mustapha, Adeola

2015-06-01

The direct effect of electrostatic interaction between ibuprofen and cationic dextran on the system-specific physicochemical parameters and intrinsic dissolution characteristics of ibuprofen was evaluated in order to develop drug-polymer nanoconjugate as a delivery strategy for poorly soluble drugs. Amorphous ibuprofen-DEAE dextran (Ddex) nanoconjugate was prepared using a low energy, controlled amphiphile-polyelectrolyte electrostatic self-assembly technique optimized by ibuprofen critical solubility and Ddex charge screening. Physicochemical characteristics of the nanoconjugates were evaluated using FTIR, DSC, TGA, NMR and SEM relative to pure ibuprofen. The in vitro release profiles and mechanism of ibuprofen release were determined using mathematical models including zero and first order kinetics; Higuchi; Hixson-Crowell and Korsmeyer-Peppas. Electrostatic interaction between ibuprofen and Ddex was confirmed with FT-IR, (1)H NMR and (13)C NMR spectroscopy. The broad and diffused DSC peaks of the nanoconjugate as well as the disappearance of ibuprofen melting peak provided evidence for their highly amorphous state. Low concentrations of Ddex up to 1.0 × 10(-6) g/dm(3) enhanced dissolution of ibuprofen to a maximum of 81.32% beyond which retardation occurred steadily. Multiple release mechanisms including diffusion; discrete drug dissolution; anomalous transport and super case II transport were noted. Controlled assembly of ibuprofen and Ddex produced a novel formulation with potential extended drug release dictated by Ddex concentration.

A novel multi-actuation CMOS RF MEMS switch

NASA Astrophysics Data System (ADS)

Lee, Chiung-I.; Ko, Chih-Hsiang; Huang, Tsun-Che

2008-12-01

This paper demonstrates a capacitive shunt type RF MEMS switch, which is actuated by electro-thermal actuator and electrostatic actuator at the same time, and than latching the switching status by electrostatic force only. Since thermal actuators need relative low voltage compare to electrostatic actuators, and electrostatic force needs almost no power to maintain the switching status, the benefits of the mechanism are very low actuation voltage and low power consumption. Moreover, the RF MEMS switch has considered issues for integrated circuit compatible in design phase. So the switch is fabricated by a standard 0.35um 2P4M CMOS process and uses wet etching and dry etching technologies for postprocess. This compatible ability is important because the RF characteristics are not only related to the device itself. If a packaged RF switch and a packaged IC wired together, the parasitic capacitance will cause the problem for optimization. The structure of the switch consists of a set of CPW transmission lines and a suspended membrane. The CPW lines and the membrane are in metal layers of CMOS process. Besides, the electro-thermal actuators are designed by polysilicon layer of the CMOS process. So the RF switch is only CMOS process layers needed for both electro-thermal and electrostatic actuations in switch. The thermal actuator is composed of a three-dimensional membrane and two heaters. The membrane is a stacked step structure including two metal layers in CMOS process, and heat is generated by poly silicon resistors near the anchors of membrane. Measured results show that the actuation voltage of the switch is under 7V for electro-thermal added electrostatic actuation.

Observation of High-Frequency Electrostatic Waves in the Vicinity of the Reconnection Ion Diffusion Region by the Spacecraft of the Magnetospheric Multiscale (MMS) Mission

NASA Technical Reports Server (NTRS)

Zhou, M.; Ashour-Abdalla, M.; Berchem, J.; Walker, R. J.; Liang, H.; El-Alaoui, M.; Goldstein, M. L.; Lindqvist, P.-A.; Marklund, G.; Khotyaintsev, Y. V.;

Plasma treatment switches the regime of wetting and floating of pepper seeds.

PubMed

Shapira, Yekaterina; Multanen, Victor; Whyman, Gene; Bormashenko, Yelena; Chaniel, Gilad; Barkay, Zahava; Bormashenko, Edward

2017-09-01

Cold radiofrequency plasma treatment modified wetting and floating regimes of pepper seeds. The wetting regime of plasma-treated seeds was switched from the Wenzel-like partial wetting to the complete wetting. No hydrophobic recovery following the plasma treatment was registered. Environmental scanning electron microscopy of the fine structure of the (three-phase) triple line observed with virgin and plasma-treated seeds is reported. Plasma treatment promoted rapid sinking of pepper seeds placed on the water/air interface. Plasma treatment did not influence the surface topography of pepper seeds, while charged them electrically. Electrostatic repulsion of floating plasma-treated seeds was observed. The surface charge density was estimated from the data extracted from floating of charged seeds and independently with the electrostatic pendulum as σ≈1-2μC/m 2 . Copyright © 2017 Elsevier B.V. All rights reserved.

Charging and Screening in Nonpolar Solutions of Nonionizable Surfactants

NASA Astrophysics Data System (ADS)

Behrens, Sven

2010-03-01

Nonpolar liquids do not easily accommodate electric charges, but surfactant additives are often found to dramatically increase the solution conductivity and promote surface charging of suspended colloid particles. Such surfactant-mediated electrostatic effects have been associated with equilibrium charge fluctuations among reverse surfactant micelles and in some cases with the statistically rare ionization of individual surfactant molecules. Here we present experimental evidence that even surfactants without any ionizable group can mediate charging and charge screening in nonpolar oils, and that they can do so at surfactant concentrations well below the critical micelle concentration (cmc). Precision conductometry, light scattering, and Karl-Fischer titration of sorbitan oleate solutions in hexane, paired with electrophoretic mobility measurements on suspended polymer particles, reveal a distinctly electrostatic action of the surfactant. We interpret our observations in terms of a charge fluctuation model and argue that the observed charging processes are likely facilitated, but not limited, by the presence of ionizable impurities.

Kinetic Theory of quasi-electrostatic waves in non-gyrotropic plasmas

NASA Astrophysics Data System (ADS)

Arshad, K.; Poedts, S.; Lazar, M.

2017-12-01

The orbital angular momentum (OAM) is a trait of helically phased light or helical (twisted) electric field. Lasers carrying orbital angular momentum (OAM) revolutionized many scientific and technological paradigms like microscopy, imaging and ionospheric radar facility to analyze three dimensional plasma dynamics in ionosphere, ultra-intense twisted laser pulses, twisted gravitational waves and astrophysics. This trend has also been investigated in plasma physics. Laguerre-Gaussian type solutions are predicted for magnetic tornadoes and Alfvénic tornadoes which exhibit spiral, split and ring-like morphologies. The ring shape morphology is ideal to fit the observed solar corona, solar atmosphere and Earth's ionosphere. The orbital angular momentum indicates the mediation of electrostatic and electromagnetic waves in new phenomena like Raman and Brillouin scattering. A few years ago, some new effects have been included in studies of orbital angular momentum in plasma regimes such as wave-particle interaction in the presence of helical electric field. Therefore, kinetic studies are carried out to investigate the Landau damping of the waves and growth of the instabilities in the presence helical electric field carrying orbital angular momentum for the Maxwellian distributed plasmas. Recently, a well suited approach involving a kappa distribution function has been adopted to model the twisted space plasmas. This leads to the development of new theoretical grounds for the study of Lorentzian or kappa distributed twisted Langmuir, ion acoustic, dust ion acoustic and dust acoustic modes. The quasi-electrostatic twisted waves have been studied now for the non-gyrotropic dusty plasmas in the presence of the orbital angular momentum of the helical electric field using Generalized Lorentzian or kappa distribution function. The Laguerre-Gaussian (LG) mode function is employed to decompose the perturbed distribution function and electric field into planar (longitudinal) and non-planar (azimuthal) components. The modified Vlasov and Poisson equations are solved to obtain the dielectric function for quasi-electrostatic twisted modes the non-gyrotropic dusty plasmas. Some numerical and graphical analysis is also illustrated for the better understanding of the twisted non-gyrotropic plasmas.

Methylene blue binding to DNA with alternating AT base sequence: minor groove binding is favored over intercalation.

PubMed

Rohs, Remo; Sklenar, Heinz

2004-04-01

The results presented in this paper on methylene blue (MB) binding to DNA with AT alternating base sequence complement the data obtained in two former modeling studies of MB binding to GC alternating DNA. In the light of the large amount of experimental data for both systems, this theoretical study is focused on a detailed energetic analysis and comparison in order to understand their different behavior. Since experimental high-resolution structures of the complexes are not available, the analysis is based on energy minimized structural models of the complexes in different binding modes. For both sequences, four different intercalation structures and two models for MB binding in the minor and major groove have been proposed. Solvent electrostatic effects were included in the energetic analysis by using electrostatic continuum theory, and the dependence of MB binding on salt concentration was investigated by solving the non-linear Poisson-Boltzmann equation. We find that the relative stability of the different complexes is similar for the two sequences, in agreement with the interpretation of spectroscopic data. Subtle differences, however, are seen in energy decompositions and can be attributed to the change from symmetric 5'-YpR-3' intercalation to minor groove binding with increasing salt concentration, which is experimentally observed for the AT sequence at lower salt concentration than for the GC sequence. According to our results, this difference is due to the significantly lower non-electrostatic energy for the minor groove complex with AT alternating DNA, whereas the slightly lower binding energy to this sequence is caused by a higher deformation energy of DNA. The energetic data are in agreement with the conclusions derived from different spectroscopic studies and can also be structurally interpreted on the basis of the modeled complexes. The simple static modeling technique and the neglect of entropy terms and of non-electrostatic solute-solvent interactions, which are assumed to be nearly constant for the compared complexes of MB with DNA, seem to be justified by the results.

Electrostatic and Small-Signal Analysis of CMUTs With Circular and Square Anisotropic Plates.

PubMed

Funding la Cour, Mette; Christiansen, Thomas Lehrmann; Jensen, Jørgen Arendt; Thomsen, Erik Vilain

2015-08-01

Traditionally, capacitive micromachined ultrasonic transducers (CMUTs) are modeled using the isotropic plate equation, and this leads to deviations between analytical calculations and finite element modeling (FEM). In this paper, the deflection is calculated for both circular and square plates using the full anisotropic plate equation. It is shown that the anisotropic calculations match excellently with FEM, whereas an isotropic approach causes up to 10% deviations in deflection. For circular plates, an exact solution can be found. For square plates using the Galerkin method, and utilizing the symmetry of the silicon crystal, a compact and accurate expression for the deflection can be obtained. The deviation from FEM in center deflection is <0.1%. The theory of multilayer plates is also applied to the CMUT. The deflection of a square plate was measured on fabricated CMUTs using a white light interferometer. Fitting the plate parameter for the anisotropic calculated deflection to the measurement, a deviation of 0.07% is seen. Electrostatic and small-signal dynamic analysis are performed using energy considerations including anisotropy. The stable position, effective spring constant, pullin distance, and pull-in voltage are found for both circular and square anisotropic plates, and the pressure dependence is included by comparison with the corresponding analysis for a parallel plate. Measurements on fabricated devices with both circular and square plates subjected to increasing bias voltage are performed, and it is observed that the models including anisotropic effects are within the uncertainty interval of the measurements. Finally, a lumped element small-signal model for both circular and square anisotropic plates is derived to describe the dynamics of the CMUT.

First plasma wave observations at neptune.

PubMed

Gurnett, D A; Kurth, W S; Poynter, R L; Granroth, L J; Cairns, I H; Macek, W M; Moses, S L; Coroniti, F V; Kennel, C F; Barbosa, D D

1989-12-15

The Voyager 2 plasma wave instrument detected many familiar plasma waves during the encounter with Neptune, including electron plasma oscillations in the solar wind upstream of the bow shock, electrostatic turbulence at the bow shock, and chorus, hiss, electron cyclotron waves, and upper hybrid resonance waves in the inner magnetosphere. Low-frequency radio emissions, believed to be generated by mode conversion from the upper hybrid resonance emissions, were also observed propagating outward in a disklike beam along the magnetic equatorial plane. At the two ring plane crossings many small micrometer-sized dust particles were detected striking the spacecraft. The maximum impact rates were about 280 impacts per second at the inbound ring plane crossing, and about 110 impacts per second at the outbound ring plane crossing. Most of the particles are concentrated in a dense disk, about 1000 kilometers thick, centered on the equatorial plane. However, a broader, more tenuous distribution also extends many tens of thousands of kilometers from the equatorial plane, including over the northern polar region.

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

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

Medasani, Bharat; Ovanesyan, Zaven; Thomas, Dennis G.

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

Wave and Particle Interactions in the High and Low-Altitude Auroral Region During Rising Solar Activity

NASA Technical Reports Server (NTRS)

Gurnett, Donald A.; Menietti, J. D.

2003-01-01

The project has resulted in four separate investigations, which are each in various stages of publication in the refereed scientific journals. The first investigation was of the generation of electrostatic electron cyclotron waves observed by the Polar spacecraft throughout the auroral regions, dayside cusp, and polar magnetosphere. We have since discovered that these waves are also present within the magnetopause and magnetosheath, which is one of the topics of a second study, entitled: 'Polar observations of plasma waves in and near the dayside magnetopause/magnetosheath.' A third study of plasma waves focussed on kilometric continuum (KC) emission. This work is reported in a paper entitled 'Near-source and Remote Observations of Kilometric Continuum Radiation From Multi-spacecraft Observations'.The final investigation of this program concerns the possible transverse heating of auroral ions by impulsive wave structures. We summarize that substantial transverse ion heating has already occurred at lower altitudes. Abstracts of the above four studies are included in the Appendix to this final report.

Electrostatically Driven Guest Binding in a Self-Assembled Porous Network at the Liquid/Solid Interface.

PubMed

Iritani, Kohei; Ikeda, Motoki; Yang, Anna; Tahara, Kazukuni; Anzai, Masaru; Hirose, Keiji; De Feyter, Steven; Moore, Jeffrey S; Tobe, Yoshito

2018-05-29

We present here the construction of a self-assembled two-dimensional (2D) porous monolayer bearing a highly polar 2D space to study guest co-adsorption through electrostatic interactions at the liquid/solid interface. For this purpose, a dehydrobenzo[12]annulene (DBA) derivative, DBA-TeEG, having tetraethylene glycol (TeEG) groups at the end of the three alternating alkoxy chains connected by p-phenylene linkers was synthesized. As a reference host molecule, DBA-C10, having nonpolar C 10 alkyl chains at three alternating terminals, was employed. As guest molecules, hexagonal phenylene-ethynylene macrocycles (PEMs) attached by triethylene glycol (TEG) ester and hexyl ester groups, PEM-TEG and PEM-C6, respectively, at each vertex of the macrocyclic periphery were used. Scanning tunneling microscopy observations at the 1,2,4-trichlorobenzene/highly oriented pyrolytic graphite interface revealed that PEM-TEG was immobilized in the pores formed by DBA-TeEG at higher probability because of electrostatic interactions such as dipole-dipole and hydrogen bonding interactions between oligoether units of the host and guest, in comparison to PEM-C6 with nonpolar groups. These observations are discussed based on molecular mechanics simulations to investigate the role of the polar functional groups. When a nonpolar host matrix formed by DBA-C10 was used, however, only phase separation and preferential adsorption were observed; virtually no host-guest complexation was discernible. This is ascribed to the strong affinity between the guest molecules which form by themselves densely packed van der Waals networks on the surface.

A review of electrostatic monitoring technology: The state of the art and future research directions

NASA Astrophysics Data System (ADS)

Wen, Zhenhua; Hou, Junxing; Atkin, Jason

2017-10-01

Electrostatic monitoring technology is a useful tool for monitoring and detecting component faults and degradation, which is necessary for system health management. It encompasses three key research areas: sensor technology; signal detection, processing and feature extraction; and verification experimentation. It has received considerable recent attention for condition monitoring due to its ability to provide warning information and non-obstructive measurements on-line. A number of papers in recent years have covered specific aspects of the technology, including sensor design optimization, sensor characteristic analysis, signal de-noising and practical applications of the technology. This paper provides a review of the recent research and of the development of electrostatic monitoring technology, with a primary emphasis on its application for the aero-engine gas path. The paper also presents a summary of some of the current applications of electrostatic monitoring technology in other industries, before concluding with a brief discussion of the current research situation and possible future challenges and research gaps in this field. The aim of this paper is to promote further research into this promising technology by increasing awareness of both the potential benefits of the technology and the current research gaps.

Swelling of biological and semiflexible polyelectrolytes.

PubMed

Dobrynin, Andrey V; Carrillo, Jan-Michael Y

2009-10-21

We have developed a theoretical model of swelling of semiflexible (biological) polyelectrolytes in salt solutions. Our approach is based on separation of length scales which allowed us to split a chain's electrostatic energy into two parts that describe local and remote electrostatic interactions along the polymer backbone. The local part takes into account interactions between charged monomers that are separated by distances along the polymer backbone shorter than the chain's persistence length. These electrostatic interactions renormalize chain persistence length. The second part includes electrostatic interactions between remote charged pairs along the polymer backbone located at distances larger than the chain persistence length. These interactions are responsible for chain swelling. In the framework of this approach we calculated effective chain persistence length and chain size as a function of the Debye screening length, chain degree of ionization, bare persistence length and chain degree of polymerization. Our crossover expression for the effective chain's persistence length is in good quantitative agreement with the experimental data on DNA. We have been able to fit experimental datasets by using two adjustable parameters: DNA ionization degree (α = 0.15-0.17) and a bare persistence length (l(p) = 40-44 nm).

Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent

NASA Astrophysics Data System (ADS)

Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu

2011-10-01

A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of all-atom simulations of model compounds in solution. Instead of matching the overall effective forces produced by atomic models, the fundamental intermolecular forces such as electrostatic, repulsion-dispersion, and solvation are represented explicitly at a CG level. We demonstrate that the CG alanine dipeptide model is able to reproduce quantitatively the conformational energy of all-atom force fields in both gas and solution phases, including the electrostatic and solvation components. Replica exchange molecular dynamics and microsecond dynamic simulations of polyalanine of 5 and 12 residues reveal that the CG polyalanines fold into "alpha helix" and "beta sheet" structures. The 5-residue polyalanine displays a substantial increase in the "beta strand" fraction relative to the 12-residue polyalanine. The detailed conformational distribution is compared with those reported from recent all-atom simulations and experiments. The results suggest that the new coarse-graining approach presented in this study has the potential to offer both accuracy and efficiency for biomolecular modeling.

Progresses in Ab Initio QM/MM Free Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies

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

Kamerlin, Shina C. L.; Haranczyk, Maciej; Warshel, Arieh

2009-03-01

Hybrid quantum mechanical / molecular mechanical (QM/MM) approaches have been used to provide a general scheme for chemical reactions in proteins. However, such approaches still present a major challenge to computational chemists, not only because of the need for very large computer time in order to evaluate the QM energy but also because of the need for propercomputational sampling. This review focuses on the sampling issue in QM/MM evaluations of electrostatic energies in proteins. We chose this example since electrostatic energies play a major role in controlling the function of proteins and are key to the structure-function correlation of biologicalmore » molecules. Thus, the correct treatment of electrostatics is essential for the accurate simulation of biological systems. Although we will be presenting here different types of QM/MM calculations of electrostatic energies (and related properties), our focus will be on pKa calculations. This reflects the fact that pKa of ionizable groups in proteins provide one of the most direct benchmarks for the accuracy of electrostatic models of macromolecules. While pKa calculations by semimacroscopic models have given reasonable results in many cases, existing attempts to perform pKa calculations using QM/MM-FEP have led to large discrepancies between calculated and experimental values. In this work, we accelerate our QM/MM calculations using an updated mean charge distribution and a classical reference potential. We examine both a surface residue (Asp3) of the bovine pancreatic trypsin inhibitor, as well as a residue buried in a hydrophobic pocket (Lys102) of the T4-lysozyme mutant. We demonstrate that by using this approach, we are able to reproduce the relevant sidechain pKas with an accuracy of 3 kcal/mol. This is well within the 7 kcal/mol energy difference observed in studies of enzymatic catalysis, and is thus sufficient accuracy to determine the main contributions to the catalytic energies of enzymes. We also provide an overall perspective of the potential of QM/MM calculations in general evaluations of electrostatic free energies, pointing out that our approach should provide a very powerful and accurate tool to predict the electrostatics of not only solution but also enzymatic reactions, as well as the solvation free energies of even larger systems, such as nucleic acid bases incorporated into DNA.« less

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.

The effect of charge mutations on the stability and aggregation of a human single chain Fv fragment.

PubMed

Austerberry, James I; Dajani, Rana; Panova, Stanislava; Roberts, Dorota; Golovanov, Alexander P; Pluen, Alain; van der Walle, Christopher F; Uddin, Shahid; Warwicker, Jim; Derrick, Jeremy P; Curtis, Robin

2017-06-01

The aggregation propensities for a series of single-chain variable fragment (scFv) mutant proteins containing supercharged sequences, salt bridges and lysine/arginine-enriched motifs were characterised as a function of pH and ionic strength to isolate the electrostatic contributions. Recent improvements in aggregation predictors rely on using knowledge of native-state protein-protein interactions. Consistent with previous findings, electrostatic contributions to native protein-protein interactions correlate with aggregate growth pathway and rates. However, strong reversible self-association observed for selected mutants under native conditions did not correlate with aggregate growth, indicating 'sticky' surfaces that are exposed in the native monomeric state are inaccessible when aggregates grow. We find that even though similar native-state protein-protein interactions occur for the arginine and lysine-enriched mutants, aggregation propensity is increased for the former and decreased for the latter, providing evidence that lysine suppresses interactions between partially folded states under these conditions. The supercharged mutants follow the behaviour observed for basic proteins under acidic conditions; where excess net charge decreases conformational stability and increases nucleation rates, but conversely reduces aggregate growth rates due to increased intermolecular electrostatic repulsion. The results highlight the limitations of using conformational stability and native-state protein-protein interactions as predictors for aggregation propensity and provide guidance on how to engineer stabilizing charged mutations. Copyright © 2017. Published by Elsevier B.V.

Electrostatic waves driven by electron beam in lunar wake plasma

NASA Astrophysics Data System (ADS)

Sreeraj, T.; Singh, S. V.; Lakhina, G. S.

2018-05-01

A linear analysis of electrostatic waves propagating parallel to the ambient field in a four component homogeneous, collisionless, magnetised plasma comprising fluid protons, fluid He++, electron beam, and suprathermal electrons following kappa distribution is presented. In the absence of electron beam streaming, numerical analysis of the dispersion relation shows six modes: two electron acoustic modes (modes 1 and 6), two fast ion acoustic modes (modes 2 and 5), and two slow ion acoustic modes (modes 3 and 4). The modes 1, 2 and 3 and modes 4, 5, and 6 have positive and negative phase speeds, respectively. With an increase in electron beam speed, the mode 6 gets affected the most and the phase speed turns positive from negative. The mode 6 thus starts to merge with modes 2 and 3 and generates the electron beam driven fast and slow ion acoustic waves unstable with a finite growth. The electron beam driven slow ion-acoustic waves occur at lower wavenumbers, whereas fast ion-acoustic waves occur at a large value of wavenumbers. The effect of various other parameters has also been studied. We have applied this analysis to the electrostatic waves observed in lunar wake during the first flyby of the ARTEMIS mission. The analysis shows that the low (high) frequency waves observed in the lunar wake could be the electron beam driven slow (fast) ion-acoustic modes.

Electrostatic dispersion lenses and ion beam dispersion methods

DOEpatents

Dahl, David A [Idaho Falls, ID; Appelhans, Anthony D [Idaho Falls, ID

2010-12-28

An EDL includes a case surface and at least one electrode surface. The EDL is configured to receive through the EDL a plurality of ion beams, to generate an electrostatic field between the one electrode surface and either the case surface or another electrode surface, and to increase the separation between the beams using the field. Other than an optional mid-plane intended to contain trajectories of the beams, the electrode surface or surfaces do not exhibit a plane of symmetry through which any beam received through the EDL must pass. In addition or in the alternative, the one electrode surface and either the case surface or the other electrode surface have geometries configured to shape the field to exhibit a less abrupt entrance and/or exit field transition in comparison to another electrostatic field shaped by two nested, one-quarter section, right cylindrical electrode surfaces with a constant gap width.

Electrostatically clean solar array

NASA Technical Reports Server (NTRS)

Stern, Theodore Garry (Inventor); Krumweide, Duane Eric (Inventor)

2004-01-01

Provided are methods of manufacturing an electrostatically clean solar array panel and the products resulting from the practice of these methods. The preferred method uses an array of solar cells, each with a coverglass where the method includes machining apertures into a flat, electrically conductive sheet so that each aperture is aligned with and undersized with respect to its matched coverglass sheet and thereby fashion a front side shield with apertures (FSA). The undersized portion about each aperture of the bottom side of the FSA shield is bonded to the topside portions nearest the edges of each aperture's matched coverglass. Edge clips are attached to the front side aperture shield edges with the edge clips electrically and mechanically connecting the tops of the coverglasses to the solar panel substrate. The FSA shield, edge clips and substrate edges are bonded so as to produce a conductively grounded electrostatically clean solar array panel.

Containerless Processing Studies in the MSFC Electrostatic Levitator

NASA Technical Reports Server (NTRS)

Rogers, J. R.; SanSoucie, M. P.

2012-01-01

Levitation or containerless processing represents an important tool in materials research. Levitated specimens are free from contact with a container, which permits studies of deeply undercooled melts, and high-temperature, highly reactive materials. Containerless processing provides data for studies of thermophysical properties, phase equilibria, metastable state formation, microstructure formation, undercooling, and nucleation. Levitation techniques include: acoustic, aero-acoustic, electromagnetic, and electrostatic. In microgravity, levitation can be achieved with greatly reduced positioning forces. Microgravity also reduces the effects of buoyancy and sedimentation in melts. The European Space Agency (ESA) and the German Aerospace Center (DLR) jointly developed an electromagnetic levitator facility (MSL-EML) for containerless materials processing in space. The MSL-EML will be accommodated in the European Columbus Facility on the International Space Station (ISS). The electrostatic levitator (ESL) facility at the Marshall Space Flight Center provides support for the development of containerless processing studies for the ISS. The capabilities of the facility and recent results will be discussed.

Submersion Quenching of Undercooled Liquid Metals in an Electrostatic Levitator

NASA Technical Reports Server (NTRS)

SanSoucie, Michael P.; Rogers, Jan R.

2016-01-01

The NASA Marshall Space Flight Center (MSFC) electrostatic levitation (ESL) laboratory has a long history of providing materials research and thermophysical property data. The laboratory has recently added a new capability, a rapid quench system. This system allows samples to be dropped into a quench vessel that can be filled with a low melting point material, such as a gallium or indium alloy. Thereby allowing rapid quenching of undercooled liquid metals and alloys. This is the first submersion quench system inside an electrostatic levitator. The system has been tested successfully with samples of zirconium, iron-cobalt alloys, titanium-zirconium-nickel alloys, and silicon-cobalt alloys. This rapid quench system will allow materials science studies of undercooled materials and new materials development, including studies of metastable phases and transient microstructures. In this presentation, the system is described and some initial results are presented.

On the correct implementation of Fermi-Dirac statistics and electron trapping in nonlinear electrostatic plane wave propagation in collisionless plasmas

NASA Astrophysics Data System (ADS)

Schamel, Hans; Eliasson, Bengt

2016-05-01

Quantum statistics and electron trapping have a decisive influence on the propagation characteristics of coherent stationary electrostatic waves. The description of these strictly nonlinear structures, which are of electron hole type and violate linear Vlasov theory due to the particle trapping at any excitation amplitude, is obtained by a correct reduction of the three-dimensional Fermi-Dirac distribution function to one dimension and by a proper incorporation of trapping. For small but finite amplitudes, the holes become of cnoidal wave type and the electron density is shown to be described by a ϕ ( x ) 1 / 2 rather than a ϕ ( x ) expansion, where ϕ ( x ) is the electrostatic potential. The general coefficients are presented for a degenerate plasma as well as the quantum statistical analogue to these steady state coherent structures, including the shape of ϕ ( x ) and the nonlinear dispersion relation, which describes their phase velocity.

Rational modification of protein stability by targeting surface sites leads to complicated results

PubMed Central

Xiao, Shifeng; Patsalo, Vadim; Shan, Bing; Bi, Yuan; Green, David F.; Raleigh, Daniel P.

2013-01-01

The rational modification of protein stability is an important goal of protein design. Protein surface electrostatic interactions are not evolutionarily optimized for stability and are an attractive target for the rational redesign of proteins. We show that surface charge mutants can exert stabilizing effects in distinct and unanticipated ways, including ones that are not predicted by existing methods, even when only solvent-exposed sites are targeted. Individual mutation of three solvent-exposed lysines in the villin headpiece subdomain significantly stabilizes the protein, but the mechanism of stabilization is very different in each case. One mutation destabilizes native-state electrostatic interactions but has a larger destabilizing effect on the denatured state, a second removes the desolvation penalty paid by the charged residue, whereas the third introduces unanticipated native-state interactions but does not alter electrostatics. Our results show that even seemingly intuitive mutations can exert their effects through unforeseen and complex interactions. PMID:23798426

Electrostatic interactions guide the active site face of a structure-specific ribonuclease to its RNA substrate.

PubMed

Plantinga, Matthew J; Korennykh, Alexei V; Piccirilli, Joseph A; Correll, Carl C

2008-08-26

Restrictocin, a member of the alpha-sarcin family of site-specific endoribonucleases, uses electrostatic interactions to bind to the ribosome and to RNA oligonucleotides, including the minimal specific substrate, the sarcin/ricin loop (SRL) of 23S-28S rRNA. Restrictocin binds to the SRL by forming a ground-state E:S complex that is stabilized predominantly by Coulomb interactions and depends on neither the sequence nor structure of the RNA, suggesting a nonspecific complex. The 22 cationic residues of restrictocin are dispersed throughout this protein surface, complicating a priori identification of a Coulomb interacting surface. Structural studies have identified an enzyme-substrate interface, which is expected to overlap with the electrostatic E:S interface. Here, we identified restrictocin residues that contribute to binding in the E:S complex by determining the salt dependence [partial differential log(k 2/ K 1/2)/ partial differential log[KCl

Design, Fabrication and Levitation Experiments of a Micromachined Electrostatically Suspended Six-Axis Accelerometer

PubMed Central

Cui, Feng; Liu, Wu; Chen, Wenyuan; Zhang, Weiping; Wu, Xiaosheng

2011-01-01

A micromachined electrostatically suspended six-axis accelerometer, with a square plate as proof mass housed by a top stator and bottom stator, is presented. The device structure and related techniques concerning its operating principles, such as calculation of capacitances and electrostatic forces/moments, detection and levitation control of the proof mass, acceleration measurement, and structural parameters design, are described. Hybrid MEMS manufacturing techniques, including surface micromachining fabrication of thin film electrodes and interconnections, integration fabrication of thick nickel structures about 500 μm using UV-LIGA by successful removal of SU-8 photoresist mold, DRIE of silicon proof mass in thickness of 450 μm, microassembly and solder bonding, were employed to fabricate this prototype microdevice. A levitation experiment system for the fabricated microaccelerometer chip is introduced, and levitation results show that fast initial levitation within 10 ms and stable full suspension of the proof mass have been successfully demonstrated. PMID:22247662

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.

Prediction of Protein-Protein Interaction Sites Using Electrostatic Desolvation Profiles

PubMed Central

Fiorucci, Sébastien; Zacharias, Martin

2010-01-01

Abstract Protein-protein complex formation involves removal of water from the interface region. Surface regions with a small free energy penalty for water removal or desolvation may correspond to preferred interaction sites. A method to calculate the electrostatic free energy of placing a neutral low-dielectric probe at various protein surface positions has been designed and applied to characterize putative interaction sites. Based on solutions of the finite-difference Poisson equation, this method also includes long-range electrostatic contributions and the protein solvent boundary shape in contrast to accessible-surface-area-based solvation energies. Calculations on a large set of proteins indicate that in many cases (>90%), the known binding site overlaps with one of the six regions of lowest electrostatic desolvation penalty (overlap with the lowest desolvation region for 48% of proteins). Since the onset of electrostatic desolvation occurs even before direct protein-protein contact formation, it may help guide proteins toward the binding region in the final stage of complex formation. It is interesting that the probe desolvation properties associated with residue types were found to depend to some degree on whether the residue was outside of or part of a binding site. The probe desolvation penalty was on average smaller if the residue was part of a binding site compared to other surface locations. Applications to several antigen-antibody complexes demonstrated that the approach might be useful not only to predict protein interaction sites in general but to map potential antigenic epitopes on protein surfaces. PMID:20441756

Imaging of turbulent structures and tomographic reconstruction of TORPEX plasma emissivity

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

Iraji, D.; Furno, I.; Fasoli, A.

In the TORPEX [A. Fasoli et al., Phys. Plasmas 13, 055902 (2006)], a simple magnetized plasma device, low frequency electrostatic fluctuations associated with interchange waves, are routinely measured by means of extensive sets of Langmuir probes. To complement the electrostatic probe measurements of plasma turbulence and study of plasma structures smaller than the spatial resolution of probes array, a nonperturbative direct imaging system has been developed on TORPEX, including a fast framing Photron-APX-RS camera and an image intensifier unit. From the line-integrated camera images, we compute the poloidal emissivity profile of the plasma by applying a tomographic reconstruction technique usingmore » a pixel method and solving an overdetermined set of equations by singular value decomposition. This allows comparing statistical, spectral, and spatial properties of visible light radiation with electrostatic fluctuations. The shape and position of the time-averaged reconstructed plasma emissivity are observed to be similar to those of the ion saturation current profile. In the core plasma, excluding the electron cyclotron and upper hybrid resonant layers, the mean value of the plasma emissivity is observed to vary with (T{sub e}){sup {alpha}}(n{sub e}){sup {beta}}, in which {alpha}=0.25-0.7 and {beta}=0.8-1.4, in agreement with collisional radiative model. The tomographic reconstruction is applied to the fast camera movie acquired with 50 kframes/s rate and 2 {mu}s of exposure time to obtain the temporal evolutions of the emissivity fluctuations. Conditional average sampling is also applied to visualize and measure sizes of structures associated with the interchange mode. The {omega}-time and the two-dimensional k-space Fourier analysis of the reconstructed emissivity fluctuations show the same interchange mode that is detected in the {omega} and k spectra of the ion saturation current fluctuations measured by probes. Small scale turbulent plasma structures can be detected and tracked in the reconstructed emissivity movies with the spatial resolution down to 2 cm, well beyond the spatial resolution of the probe array.« less

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

Spectroscopic investigation of the effect of salt on binding of tartrazine with two homologous serum albumins: quantification by use of the Debye-Hückel limiting law and observation of enthalpy-entropy compensation.

PubMed

Bolel, Priyanka; Datta, Shubhashis; Mahapatra, Niharendu; Halder, Mintu

2012-08-30

Formation of ion pair between charged molecule and protein can lead to interesting biochemical phenomena. We report the evolution of thermodynamics of the binding of tartrazine, a negatively charged azo colorant, and serum albumins with salt. The dye binds predominantly electrostatically in low buffer strengths; however, on increasing salt concentration, affinity decreases considerably. The calculated thermodynamic parameters in high salt indicate manifestation of nonelectrostatic interactions, namely, van der Waals force and hydrogen bonding. Site-marker competitive binding studies and docking simulations indicate that the dye binds with HSA in the warfarin site and with BSA at the interface of warfarin and ibuprofen binding sites. The docked poses indicate nearby amino acid positive side chains, which are possibly responsible for electrostatic interaction. Using the Debye-Hückel interionic attraction theory for binding equilibria, it is shown that, for electrostatic binding the calculated free energy change increases linearly with square root of ionic strength. Also UV-vis, fluorescence, CD data indicate a decrease of interaction with salt concentration. This study quantitatively relates how ionic strength modulates the strength of the protein-ligand electrostatic interaction. The binding enthalpy and entropy have been found to compensate one another. The enthalpy-entropy compensation (EEC), general property of weak intermolecular interactions, has been discussed.

Electrostatic interactions between ions near Thomas-Fermi substrates and the surface energy of ionic crystal at imperfect metals

PubMed Central

Kaiser, V.; Comtet, J.; Niguès, A.; Siria, A.; Coasne, B.; Bocquet, L.

2017-01-01

The electrostatic interaction between two charged particles is strongly modified in the vicinity of a metal. This situation is usually accounted for by the celebrated image charges approach, which was further extended to account for the electronic screening properties of the metal at the level of the Thomas-Fermi description. In this paper we build upon the approach by [Kornyshev et al. Zh. Eksp. Teor. Fiz., 78(3):1008–1019, 1980] and successive works to calculate the 1-body and 2-body electrostatic energy of ions near a metal in terms of the Thomas-Fermi screening length. We propose workable approximations suitable for molecular simulations of ionic systems close to metallic walls. Furthermore, we use this framework to calculate analytically the electrostatic contribution to the surface energy of a one dimensional crystal at a metallic wall and its dependence on the Thomas-Fermi screening length. These calculations provide a simple interpretation for the surface energy in terms of image charges, which allow for an estimate of interfacial properties in more complex situations of a disordered ionic liquid close to a metal surface. A counterintuitive outcome is that electronic screening, as characterized by a molecular Thomas-Fermi length ℓTF, profoundly affects the wetting of ionic systems close to a metal, in line with the recent experimental observation of capillary freezing of ionic liquids in metallic confinement. PMID:28436506

The sliding-helix voltage sensor

PubMed Central

Peyser, Alexander; Nonner, Wolfgang

2012-01-01

The voltage sensor (VS) domain of voltage-gated ion channels underlies electrical excitability of living cells. We simulate a mesoscale model of the VS domain to determine the functional consequences of some of its physical elements. Our mesoscale model is based on VS charges, linear dielectrics and whole-body motion, applied to an S4 ‘sliding helix’. The electrostatics under voltage-clamped boundary conditions are solved consistently using a boundary element method. Based on electrostatic configurational energy, statistical-mechanical expectations of the experimentally observable relation between displaced charge and membrane voltage are predicted. Consequences of the model are investigated for variations of: S4 configuration (α- and 310-helical), countercharge alignment with S4 charges, protein polarizability, geometry of the gating canal, screening of S4 charges by the baths, and fixed charges located at the bath interfaces. The sliding helix VS domain has an inherent electrostatic stability in the explored parameter space: countercharges present in the region of weak dielectric always retain an equivalent S4 charge in that region but allow sliding movements displacing 3 to 4 e0. That movement is sensitive to small energy variations (< 2kT) along the path dependent on a number of electrostatic parameters tested in our simulations. These simulations show how the slope of the relation between displaced charge and voltage could be tuned in a channel. PMID:22907204

Free energy landscapes of encounter complexes in protein-protein association.

PubMed

Camacho, C J; Weng, Z; Vajda, S; DeLisi, C

1999-03-01

We report the computer generation of a high-density map of the thermodynamic properties of the diffusion-accessible encounter conformations of four receptor-ligand protein pairs, and use it to study the electrostatic and desolvation components of the free energy of association. Encounter complex conformations are generated by sampling the translational/rotational space of the ligand around the receptor, both at 5-A and zero surface-to-surface separations. We find that partial desolvation is always an important effect, and it becomes dominant for complexes in which one of the reactants is neutral or weakly charged. The interaction provides a slowly varying attractive force over a small but significant region of the molecular surface. In complexes with no strong charge complementarity this region surrounds the binding site, and the orientation of the ligand in the encounter conformation with the lowest desolvation free energy is similar to the one observed in the fully formed complex. Complexes with strong opposite charges exhibit two types of behavior. In the first group, represented by barnase/barstar, electrostatics exerts strong orientational steering toward the binding site, and desolvation provides some added adhesion within the local region of low electrostatic energy. In the second group, represented by the complex of kallikrein and pancreatic trypsin inhibitor, the overall stability results from the rather nonspecific electrostatic attraction, whereas the affinity toward the binding region is determined by desolvation interactions.

Electrode geometry for electrostatic generators and motors

DOEpatents

Post, Richard F.

2016-02-23

An electrostatic (ES) device is described with electrodes that improve its performance metrics. Devices include ES generators and ES motors, which are comprised of one or more stators (stationary members) and one or more rotors (rotatable members). The stator and rotors are configured as a pair of concentric cylindrical structures and aligned about a common axis. The stator and rotor are comprised of an ensemble of discrete, longitudinal electrodes, which are axially oriented in an annular arrangement. The shape of the electrodes described herein enables the ES device to function at voltages significantly greater than that of the existing art, resulting in devices with greater power-handling capability and overall efficiency. Electrode shapes include, but are not limited to, rods, corrugated sheets and emulations thereof.

Stochastic three-wave interaction in flaring solar loops

NASA Technical Reports Server (NTRS)

Vlahos, L.; Sharma, R. R.; Papadopoulos, K.

1983-01-01

A model is proposed for the dynamic structure of high-frequency microwave bursts. The dynamic component is attributed to beams of precipitating electrons which generate electrostatic waves in the upper hybrid branch. Coherent upconversion of the electrostatic waves to electromagnetic waves produces an intrinsically stochastic emission component which is superposed on the gyrosynchrotron continuum generated by stably trapped electron fluxes. The role of the density and temperature of the ambient plasma in the wave growth and the transition of the three wave upconversion to stochastic, despite the stationarity of the energy source, are discussed in detail. The model appears to reproduce the observational features for reasonable parameters of the solar flare plasma.

Electrostatic stability of electron-positron plasmas in dipole geometry

NASA Astrophysics Data System (ADS)

Mishchenko, Alexey; Plunk, Gabriel G.; Helander, Per

2018-04-01

The electrostatic stability of electron-positron plasmas is investigated in the point-dipole and Z-pinch limits of dipole geometry. The kinetic dispersion relation for sub-bounce-frequency instabilities is derived and solved. For the zero-Debye-length case, the stability diagram is found to exhibit singular behaviour. However, when the Debye length is non-zero, a fluid mode appears, which resolves the observed singularity, and also demonstrates that both the temperature and density gradients can drive instability. It is concluded that a finite Debye length is necessary to determine the stability boundaries in parameter space. Landau damping is investigated at scales sufficiently smaller than the Debye length, where instability is absent.

On the origin of enhanced sensitivity in nanoscale FET-based biosensors

PubMed Central

Shoorideh, Kaveh; Chui, Chi On

2014-01-01

Electrostatic counter ion screening is a phenomenon that is detrimental to the sensitivity of charge detection in electrolytic environments, such as in field-effect transistor-based biosensors. Using simple analytical arguments, we show that electrostatic screening is weaker in the vicinity of concave curved surfaces, and stronger in the vicinity of convex surfaces. We use this insight to show, using numerical simulations, that the enhanced sensitivity observed in nanoscale biosensors is due to binding of biomolecules in concave corners where screening is reduced. We show that the traditional argument, that increased surface area-to-volume ratio for nanoscale sensors is responsible for their increased sensitivity, is incorrect. PMID:24706861

Two dimensional electrostatic shock waves in relativistic electron positron ion plasmas

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

Masood, W.; Rizvi, H.

2010-05-15

Ion-acoustic shock waves (IASWs) are studied in an unmagnetized plasma consisting of electrons, positrons and hot ions. In this regard, Kadomtsev-Petviashvili-Burgers (KPB) equation is derived using the small amplitude perturbation expansion method. The dependence of the IASWs on various plasma parameters is numerically investigated. It is observed that ratio of ion to electron temperature, kinematic viscosity, positron concentration, and the relativistic ion streaming velocity affect the structure of the IASW. Limiting case of the KPB equation is also discussed. Stability of KPB equation is also presented. The present investigation may have relevance in the study of electrostatic shock waves inmore » relativistic electron-positron-ion plasmas.« less

Electric-field-driven phase transition in vanadium dioxide

NASA Astrophysics Data System (ADS)

Wu, B.; Zimmers, A.; Aubin, H.; Ghosh, R.; Liu, Y.; Lopez, R.

2011-12-01

We report on local probe measurements of current-voltage and electrostatic force-voltage characteristics of electric-field-induced insulator to metal transition in VO2 thin film. In conducting AFM mode, switching from the insulating to metallic state occurs for electric-field threshold E˜6.5×107Vm-1 at 300K. Upon lifting the tip above the sample surface, we find that the transition can also be observed through a change in electrostatic force and in tunneling current. In this noncontact regime, the transition is characterized by random telegraphic noise. These results show that electric field alone is sufficient to induce the transition; however, the electronic current provides a positive feedback effect that amplifies the phenomena.

Possible Mechanism for Damping of Electrostatic Instability Related to Inhomogeneous Distribution of Energy Density in the Auroral Ionosphere

NASA Astrophysics Data System (ADS)

Golovchanskaya, I. V.; Kozelov, B. V.; Chernyshov, A. A.; Ilyasov, A. A.; Mogilevsky, M. M.

2018-03-01

Satellite observations show that the electrostatic instability, which is expected to occur in most cases due to an inhomogeneous energy density caused by a strongly inhomogeneous transverse electric field (shear of plasma convection velocity), occasionally does not develop inside nonlinear plasma structures in the auroral ionosphere, even though the velocity shear is sufficient for its excitation. In this paper, it is shown that the instability damping can be caused by out-of-phase variations of the electric field and field-aligned current acting in these structures. Therefore, the mismatch of sources of free energy required for the wave generation nearly nullifies their common effect.

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

NASA Technical Reports Server (NTRS)

Trigwell, S.; Boucher, D.; Calle, C. I.

2007-01-01

this study, PE, PTFE, PS and PMMA were exposed to a He+O2, APGD and pre and post treatment surface chemistries were analyzed by X-ray photoelectron spectroscopy and contact angle measurements. Semi-empirical and ab-initio calculations were performed to correlate the experimental results with sonic plausible molecular and electronic structure features of the oxidation process. For the PE and PS, significant surface oxidation showing C-O, C=O, and O-C=O bonding, and a decrease in the surface contact angles was observed. For the PTFE and PM MA, little change in the surface composition was observed. The molecular modeling calculations were performed on single and multiple oligomers and showed regardless of oxidation mechanism, e.g. -OH, =O or a combination thereof, experimentally observed levels of surface oxidation were unlikely to lead to a significant change in the electronic structure of PE and PS, and that the increased hydrophilic properties are the primary reason for the observed changes in its electrostatic behavior. Calculations for PTFE and PMMA argue strongly against significant oxidation of those materials, as confirmed by the XPS results.

AMOEBA 2.0: A physics-first approach to biomolecular simulations

NASA Astrophysics Data System (ADS)

Rackers, Joshua; Ponder, Jay

The goal of the AMOEBA force field project is to use classical physics to understand and predict the nature of interactions between biological molecules. While making significant advances over the past decade, the ultimate goal of predicting binding energies with ``chemical accuracy'' remains elusive. The primary source of this inaccuracy comes from the physics of how molecules interact at short range. For example, despite AMOEBA's advanced treatment of electrostatics, the force field dramatically overpredicts the electrostatic energy of DNA stacking interactions. AMOEBA 2.0 works to correct these errors by including simple, first principles physics-based terms to account for the quantum mechanical nature of these short-range molecular interactions. We have added a charge penetration term that considerably improves the description of electrostatic interactions at short range. We are reformulating the polarization term of AMOEBA in terms of basic physics assertions. And we are reevaluating the van der Waals term to match ab initio energy decompositions. These additions and changes promise to make AMOEBA more predictive. By including more physical detail of the important short-range interactions of biological molecules, we hope to move closer to the ultimate goal of true predictive power.

Selective passive adsorption of nitrate with surfactant treated porous electrode and electrostatic regeneration

NASA Astrophysics Data System (ADS)

Oyarzun, Diego I.; Hemmatifar, Ali; Palko, James W.; Stadermann, Michael; Santiago, Juan G.; Stanford microfluidics lab Team; Lawrence Livermore National Lab Team

2017-11-01

Nitrate is an important pollutant in drinking water worldwide, and a number of methods exist for the removal of nitrate from water including ion exchange and reverse osmosis. However, these approaches suffer from a variety of disadvantages including the need for a regenerating brine supply and disposal of used brine for ion exchange and low water recovery ratio for reverse osmosis. We are researching and developing a form of capacitive deionization (CDI) for energy efficient desalination and selective removal of ionic toxins from water. In CDI an electrode is used to electrostatically trap ions in a pair of porous electrodes. Here, we demonstrate the use of high surface area activated carbon electrodes functionalized with ion exchange moieties for adsorption of nitrate from aqueous solution. Unlike a traditional ion exchanger, the functionalized surfaces can be repeatedly regenerated by the application of an electrostatic potential which displaces the bound NO3- while leaving an excess of electronic charge on the electrode. Trimethylammonium has an intrinsic selectivity, we are using this moiety to selectively remove nitrate over chloride. We performed adsorption/desorption cycles under several desorption voltages and ratios of concentrations.

Surface plasmon resonance measurement of pH-induced responses of immobilized biomolecules: conformational change or electrostatic interaction effects?

PubMed

Paynter, Sally; Russell, David A

2002-10-01

Recently, the observation of pH-induced conformational changes of biomolecules supported on carboxymethyldextran (CMD)-coated surfaces measured using surface plasmon resonance (SPR) has been reported. However, it is apparent that the evidence reported in the literature is ambiguous. The research presented in this paper describes investigations to study the changing SPR signal of immobilized biomolecules as a function of varying pH, to provide a detailed understanding of the origin of the pH-induced changes in the SPR profile. SPR measurements were performed with cytochrome c, concanavalin A, and poly-L-lysine, biomolecules that exhibit diverse conformational responses to changing pH, covalently immobilized onto CMD-coated supports. These SPR measurements were supported by circular dichroism (CD) solution studies. The SPR profiles recorded were not consistent with the conformational transitions of the biomolecules as observed using CD. An alternative explanation for the observed shifts in SPR is proposed, which explains the SPR profiles in terms of electrostatic interaction effects between the immobilized biomolecules and the carboxymethyldextran matrix.

Nonlinear Electron Acoustic Waves in the Inner Magnetosphere

NASA Astrophysics Data System (ADS)

Dillard, C. S.; Vasko, I.; Mozer, F.; Agapitov, O. V.

2017-12-01

The Van Allen Probes observe intense broad-band electrostatic wave activity in the inner magnetosphere. The high-resolution electric field measurements show that these broad-band wave activity is made of large-amplitude electrostatic solitary waves propagating generally along the background magnetic field with velocities of a few thousands km/s. There are generally two types of the observed solitary waves. The solitary waves with the bipolar parallel electric field are interpreted as electron phase space holes, while the nature of solitary waves with asymmetric parallel electric field has remained puzzling. In the present work we show that asymmetric solitary waves propagate with velocities (1000-5000 km/s) and have spatial scales (100 m-1 km) similar to those for electron-acoustic waves existing due to two temperature electron population. Through the numerical fluid simulation we show that the spikes are produced from the initially harmonic electron-acoustic perturbation due to the nonlinear steepening. Through the analysis of the modified KdV equation we show that the steepening is arrested at some moment by the collisionless Landau dissipation and results in formation of the observed asymmetric spikes (shocklets).

S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.

PubMed

Chaudret, Robin; Gresh, Nohad; Narth, Christophe; Lagardère, Louis; Darden, Thomas A; Cisneros, G Andrés; Piquemal, Jean-Philip

2014-09-04

We demonstrate as a proof of principle the capabilities of a novel hybrid MM'/MM polarizable force field to integrate short-range quantum effects in molecular mechanics (MM) through the use of Gaussian electrostatics. This lead to a further gain in accuracy in the representation of the first coordination shell of metal ions. It uses advanced electrostatics and couples two point dipole polarizable force fields, namely, the Gaussian electrostatic model (GEM), a model based on density fitting, which uses fitted electronic densities to evaluate nonbonded interactions, and SIBFA (sum of interactions between fragments ab initio computed), which resorts to distributed multipoles. To understand the benefits of the use of Gaussian electrostatics, we evaluate first the accuracy of GEM, which is a pure density-based Gaussian electrostatics model on a test Ca(II)-H2O complex. GEM is shown to further improve the agreement of MM polarization with ab initio reference results. Indeed, GEM introduces nonclassical effects by modeling the short-range quantum behavior of electric fields and therefore enables a straightforward (and selective) inclusion of the sole overlap-dependent exchange-polarization repulsive contribution by means of a Gaussian damping function acting on the GEM fields. The S/G-1 scheme is then introduced. Upon limiting the use of Gaussian electrostatics to metal centers only, it is shown to be able to capture the dominant quantum effects at play on the metal coordination sphere. S/G-1 is able to accurately reproduce ab initio total interaction energies within closed-shell metal complexes regarding each individual contribution including the separate contributions of induction, polarization, and charge-transfer. Applications of the method are provided for various systems including the HIV-1 NCp7-Zn(II) metalloprotein. S/G-1 is then extended to heavy metal complexes. Tested on Hg(II) water complexes, S/G-1 is shown to accurately model polarization up to quadrupolar response level. This opens up the possibility of embodying explicit scalar relativistic effects in molecular mechanics thanks to the direct transferability of ab initio pseudopotentials. Therefore, incorporating GEM-like electron density for a metal cation enable the introduction of nonambiguous short-range quantum effects within any point-dipole based polarizable force field without the need of an extensive parametrization.

Damping control of micromachined lowpass mechanical vibration isolation filters using electrostatic actuation with electronic signal processing

NASA Astrophysics Data System (ADS)

Dean, Robert; Flowers, George; Sanders, Nicole; MacAllister, Ken; Horvath, Roland; Hodel, A. S.; Johnson, Wayne; Kranz, Michael; Whitley, Michael

2005-05-01

Some harsh environments, such as those encountered by aerospace vehicles and various types of industrial machinery, contain high frequency/amplitude mechanical vibrations. Unfortunately, some very useful components are sensitive to these high frequency mechanical vibrations. Examples include MEMS gyroscopes and resonators, oscillators and some micro optics. Exposure of these components to high frequency mechanical vibrations present in the operating environment can result in problems ranging from an increased noise floor to component failure. Passive micromachined silicon lowpass filter structures (spring-mass-damper) have been demonstrated in recent years. However, the performance of these filter structures is typically limited by low damping (especially if operated in near-vacuum environments) and a lack of tunability after fabrication. Active filter topologies, such as piezoelectric, electrostrictive-polymer-film and SMA have also been investigated in recent years. Electrostatic actuators, however, are utilized in many micromachined silicon devices to generate mechanical motion. They offer a number of advantages, including low power, fast response time, compatibility with silicon micromachining, capacitive position measurement and relative simplicity of fabrication. This paper presents an approach for realizing active micromachined mechanical lowpass vibration isolation filters by integrating an electrostatic actuator with the micromachined passive filter structure to realize an active mechanical lowpass filter. Although the electrostatic actuator can be used to adjust the filter resonant frequency, the primary application is for increasing the damping to an acceptable level. The physical size of these active filters is suitable for use in or as packaging for sensitive electronic and MEMS devices, such as MEMS vibratory gyroscope chips.

Electrostatic screening in classical Coulomb fluids: exponential or power-law decay or both? An investigation into the effect of dispersion interactions

NASA Astrophysics Data System (ADS)

Kjellander, Roland

2006-04-01

It is shown that the nature of the non-electrostatic part of the pair interaction potential in classical Coulomb fluids can have a profound influence on the screening behaviour. Two cases are compared: (i) when the non-electrostatic part equals an arbitrary finite-ranged interaction and (ii) when a dispersion r-6 interaction potential is included. A formal analysis is done in exact statistical mechanics, including an investigation of the bridge function. It is found that the Coulombic r-1 and the dispersion r-6 potentials are coupled in a very intricate manner as regards the screening behaviour. The classical one-component plasma (OCP) is a particularly clear example due to its simplicity and is investigated in detail. When the dispersion r-6 potential is turned on, the screened electrostatic potential from a particle goes from a monotonic exponential decay, exp(-κr)/r, to a power-law decay, r-8, for large r. The pair distribution function acquire, at the same time, an r-10 decay for large r instead of the exponential one. There still remains exponentially decaying contributions to both functions, but these contributions turn oscillatory when the r-6 interaction is switched on. When the Coulomb interaction is turned off but the dispersion r-6 pair potential is kept, the decay of the pair distribution function for large r goes over from the r-10 to an r-6 behaviour, which is the normal one for fluids of electroneutral particles with dispersion interactions. Differences and similarities compared to binary electrolytes are pointed out.

Electrostatic Properties of Aqueous Salt Solution Interfaces: A Comparison of Polarizable and Non-Polarizable Ion Models

PubMed Central

Warren, G. Lee; Patel, Sandeep

2014-01-01

The effects of ion force field polarizability on the interfacial electrostatic properties of ~1 M aqueous solutions of NaCl, CsCl and NaI are investigated using molecular dynamics simulations employing both non-polarizable and Drude-polarizable ion sets. Differences in computed depth-dependent orientational distributions, “permanent” and induced dipole and quadrupole moment profiles, and interfacial potentials are obtained for both ion sets to further elucidate how ion polarizability affects interfacial electrostatic properties among the various salts relative to pure water. We observe that the orientations and induced dipoles of water molecules are more strongly perturbed in the presence of polarizable ions via a stronger ionic double layer effect arising from greater charge separation. Both anions and cations exhibit enhanced induced dipole moments and strong z alignment in the vicinity of the Gibbs dividing surface (GDS) with the magnitude of the anion induced dipoles being nearly an order of magnitude larger than those of the cations and directed into the vapor phase. Depth-dependent profiles for the trace and zz components of the water molecular quadrupole moment tensors reveal 40% larger quadrupole moments in the bulk phase relative to the vapor mimicking a similar observed 40% increase in the average water dipole moment. Across the GDS, the water molecular quadrupole moments increase non-monotonically (in contrast to the water dipoles) and exhibit a locally reduced contribution just below the surface due to both orientational and polarization effects. Computed interfacial potentials for the non-polarizable salts yield values 20 to 60 mV more positive than pure water and increase by an additional 30 to 100 mV when ion polarizability is included. A rigorous decomposition of the total interfacial potential into ion monopole, water and ion dipole, and water quadrupole components reveals that a very strong, positive ion monopole contribution is offset by negative contributions from all other potential sources. Water quadrupole components modulated by the water density contribute significantly to the observed interfacial potential increments and almost entirely explain observed differences in the interfacial potentials for the two chloride salts. By lumping all remaining non-quadrupole interfacial potential contributions into a single “effective” dipole potential, we observe that the ratio of quadrupole to “effective” dipole contributions range from 2:1 in CsCl to 1:1.5 in NaI suggesting that both contributions are comparably important in determining the interfacial potential increments. We also find that oscillations in the quadrupole potential in the double layer region are opposite in sign and partially cancel those of the “effective” dipole potential. PMID:18712908

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.

A model for chorus associated electrostatic bursts

NASA Technical Reports Server (NTRS)

Grabbe, C. L.

1984-01-01

The linear theory of the generation of electrostatic bursts of noise by electrons trapped in chorus wave packets is developed for a finite temperature electron beam and a Maxwellian elecron and ion background. The growth rates determined qualitatively in good agreement with those obtained by previous authors from a more idealized model. Two connected instability mechanisms seem to be occurring: a beam plasma (electron-ion two-stream) instability commonly associated with intensification of the chorus power levels, and a transitional or borderline resistive medium instability commonly associated with chorus hooks. The physical reasons for the two mechanisms is discussed. In the second case electron beams are difficult to identify in the particle data. An expression is obtained for the maximum growth rate in terms of the ratios of the beam and electron thermal velocities to the beam velocity, and of the beam density to plasma density. It is anticipated that this may allow the observed peak in the electrostatic noise spectrum to be used as a diagnostic for the beam characteristics. Previously announced in STAR as N84-12832

Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures

NASA Astrophysics Data System (ADS)

Tonmunphean, Somsak; Kokpol, Sirirat; Parasuk, Vudhichai; Wolschann, Peter; Winger, Rudolf H.; Liedl, Klaus R.; Rode, Bernd M.

1998-07-01

Based on the belief that structural optimization methods, producing structures more closely to the experimental ones, should give better, i.e. more relevant, steric fields and hence more predictive CoMFA models, comparative molecular field analyses of artemisinin derivatives were performed based on semiempirical AM1 and HF/3-21G optimized geometries. Using these optimized geometries, the CoMFA results derived from the HF/3-21G method are found to be usually but not drastically better than those from AM1. Additional calculations were performed to investigate the electrostatic field difference using the Gasteiger and Marsili charges, the electrostatic potential fit charges at the AM1 level, and the natural population analysis charges at the HF/3-21G level of theory. For the HF/3-21G optimized structures no difference in predictability was observed, whereas for AM1 optimized structures such differences were found. Interestingly, if ionic compounds are omitted, differences between the various HF/3-21G optimized structure models using these electrostatic fields were found.

Energy conversion in polyelectrolyte hydrogels

NASA Astrophysics Data System (ADS)

Olvera de La Cruz, Monica; Erbas, Aykut; Olvera de la Cruz Team

Energy conversion and storage have been an active field of research in nanotechnology parallel to recent interests towards renewable energy. Polyelectrolyte (PE) hydrogels have attracted considerable attention in this field due to their mechanical flexibility and stimuli-responsive properties. Ideally, when a hydrogel is deformed, applied mechanical work can be converted into electrostatic, elastic and steric-interaction energies. In this talk, we discuss the results of our extensive molecular dynamics simulations of PE hydrogels. We demonstrate that, on deformation, hydrogels adjust their deformed state predominantly by altering electrostatic interactions between their charged groups rather than excluded-volume and bond energies. This is due to the hydrogel's inherent tendency to preserve electro-neutrality in its interior, in combination with correlations imposed by backbone charges. Our findings are valid for a wide range of compression ratios and ionic strengths. The electrostatic-energy alterations that we observe in our MD simulations may induce pH or redox-potential changes inside the hydrogels. The resulting energetic difference can be harvested, for instance, analogously to a Carnot engine, or facilitated for sensor applications. Center for Bio-inspired Energy Science (CBES).

Coupling of electrostatic ion cyclotron and ion acoustic waves in the solar wind

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

Sreeraj, T., E-mail: sreerajt13@iigs.iigm.res.in; Singh, S. V., E-mail: satyavir@iigs.iigm.res.in; Lakhina, G. S., E-mail: gslakhina@gmail.com

2016-08-15

The coupling of electrostatic ion cyclotron and ion acoustic waves is examined in three component magnetized plasma consisting of electrons, protons, and alpha particles. In the theoretical model relevant to solar wind plasma, electrons are assumed to be superthermal with kappa distribution and protons as well as alpha particles follow the fluid dynamical equations. A general linear dispersion relation is derived for such a plasma system which is analyzed both analytically and numerically. For parallel propagation, electrostatic ion cyclotron (proton and helium cyclotron) and ion acoustic (slow and fast) modes are decoupled. For oblique propagation, coupling between the cyclotron andmore » acoustic modes occurs. Furthermore, when the angle of propagation is increased, the separation between acoustic and cyclotron modes increases which is an indication of weaker coupling at large angle of propagation. For perpendicular propagation, only cyclotron modes are observed. The effect of various parameters such as number density and temperature of alpha particles and superthermality on dispersion characteristics is examined in details. The coupling between various modes occurs for small values of wavenumber.« less

CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides

PubMed Central

Jana, Madhurima; MacKerell, Alexander D.

2015-01-01

An empirical all-atom CHARMM polarizable force filed for aldopentofuranoses and methyl-aldopentofuranosides based on the classical Drude oscillator is presented. A single electrostatic model is developed for eight different diastereoisomers of aldopentofuranoses by optimizing the existing electrostatic and bonded parameters as transferred from ethers, alcohols and hexopyranoses to reproduce quantum mechanical (QM) dipole moments, furanose-water interaction energies and conformational energies. Optimization of selected electrostatic and dihedral parameters was performed to generate a model for methyl-aldopentofuranosides. Accuracy of the model was tested by reproducing experimental data for crystal intramolecular geometries and lattice unit cell parameters, aqueous phase densities, and ring pucker and exocyclic rotamer populations as obtained from NMR experiments. In most cases the model is found to reproduce both QM data and experimental observables in an excellent manner, while for the remainder the level of agreement is in the satisfactory regimen. In aqueous phase simulations the monosaccharides have significantly enhanced dipoles as compared to the gas phase. The final model from this study is transferrable for future studies on carbohydrates and can be used with the existing CHARMM Drude polarizable force field for biomolecules. PMID:26018564

Counterion effects in protein nanoparticle electrostatic binding: a theoretical study.

PubMed

Ghosh, Goutam

2015-04-01

Effects of counterions on the folding conformation of proteins, bound electrostatically on the surface of charge-ligand functionalized nanoparticles, have been investigated based on the protein folding energy calculation. The folding energy of a protein has been taken as a sum of the short range interaction energies, like, the van der Waals attraction and the hydrogen bond energies, and the long range coulomb interaction energy. On electrostatic binding, counterions associated with surface ligands of nanoparticles diffuse into bound proteins through the medium of dispersion. As a result, bound proteins partially unfold, as observed in circular dichroism experiments, which has been realized using the "charge-dipole" and the "charge-induced dipole" interactions of counterions with polar and non-polar residues, respectively. The effect of counterions solvation in the dispersing medium, e.g., water, which causes water molecules to polarize around the counterions, has also been considered. The folding energy of bound proteins has been seen to decrease proportionally with the increasing number of diffusion of counterions and their polarizability. Copyright © 2015 Elsevier B.V. All rights reserved.

Charge effects on the hindered transport of macromolecules across the endothelial surface glycocalyx layer.

PubMed

Sugihara-Seki, Masako; Akinaga, Takeshi; O-Tani, Hideyuki

2012-01-01

A fluid mechanical and electrostatic model for the transport of solute molecules across the vascular endothelial surface glycocalyx layer (EGL) was developed to study the charge effect on the diffusive and convective transport of the solutes. The solute was assumed to be a spherical particle with a constant surface charge density, and the EGL was represented as an array of periodically arranged circular cylinders of like charge, with a constant surface charge density. By combining the fluid mechanical analyses for the flow around a solute suspended in an electrolyte solution and the electrostatic analyses for the free energy of the interaction between the solute and cylinders based on a mean field theory, we estimated the transport coefficients of the solute across the EGL. Both of diffusive and convective transports are reduced compared to those for an uncharged system, due to the stronger exclusion of the solute that results from the repulsive electrostatic interaction. The model prediction for the reflection coefficient for serum albumin agreed well with experimental observations if the charge density in the EGL is ranged from approximately -10 to -30 mEq/l.

[The development of methylcholanthrene-tumors in mice under the environmental influence of various electrobioclimatological conditions (author's transl)].

PubMed

Möse, J R; Fischer, G

1977-08-01

Comparative analyses of the development rate of a slow Tumor (Methylcholanthrene) in mice were undertaken under conditions of a) an electrostatic field (Field strength 200 V/m, Residual sinus component 0.1%), b) a Faraday cage (Shielding effectivity on atmospheric electrical disturbances: 99%) and c) a laboratory, climatized with conventional methods. The tumor was initiated in each case following a 6-week acclimatisation period to the unaccustomed surroundings. Following this, we observed the appearance rates over a period of 8 months at 14-day intervals. Under customary laboratory conditions these were perceptibly higher than in the electrostatic field or in the Faraday cage. No difference was apparent between the two latter conditions. Any variations in the electrobioclimatological environment can lead to stress reactions resulting in familiar consequences to various defense mechanisms. This allows us to find an explanation for the results otherwise difficult to interpret; for both in the electrostatic field and under shielding from external electrical influences the neoplastic activity was obviously reduced in comparison to normally climatized laboratory conditions. We are continuing the experiments.

Turbulent resistivity, diffusion and heating

NASA Technical Reports Server (NTRS)

Fried, B. D.; Kennel, C. F.; Mackenzie, K.; Coroniti, F. V.; Kindel, J. M.; Stenzel, R.; Taylor, R. J.; White, R.; Wong, A. Y.; Bernstein, W.

1971-01-01

Experimental and theoretical studies are reported on ion acoustic and ion cyclotron turbulence and their roles in anomalous resistivity, viscosity, diffusion and heating and in the structure of collisionless electrostatic shocks. Resistance due to ion acoustic turbulence has been observed in experiments with a streaming cesium plasma in which electron current, potential rise due to turbulent resistivity, spectrum of unstable ion acoustic waves, and associated electron heating were all measured directly. Kinetic theory calculations for an expanding, unstable plasma, give results in agreement with the experiment. In a strong magnetic field, with T sub e/T sub i approximately 1 and current densities typical for present Tokomaks, the plasma is stable to ion acoustic but unstable to current driven electrostatic ion cyclotron waves. Relevant characteristics of these waves are calculated and it is shown that for ion, beta greater than m sub e/m sub i, the electromagnetic ion cyclotron wave has a lower instability threshold than the electrostatic one. However, when ion acoustic turbulence is present experiments with double plasma devices show rapid anomalous heating of an ion beam streaming through a plasma.

Basic surface properties of mononuclear cells from Didelphis marsupialis.

PubMed

Nacife, V P; de Meirelles, M de N; Silva Filho, F C

1998-01-01

The electrostatic surface charge and surface tension of mononuclear cells/monocytes obtained from young and adult marsupials (Didelphis marsupialis) were investigated by using cationized ferritin and colloidal iron hydroxyde, whole cell electrophoresis, and measurements of contact angles. Anionic sites were found distributed throughout the entire investigated cell surfaces. The results revealed that the anionic character of the cells is given by electrostatic charges corresponding to -18.8 mV (cells from young animals) and -29.3 mV (cells from adult animals). The surface electrostatic charge decreased from 10 to 65.2% after treatment of the cells with each one of trypsin, neuraminidase and phospholipase C. The hydrophobic nature of the mononuclear cell surfaces studied by using the contact angle method revealed that both young and adult cells possess cell surfaces of high hidrofilicity since the angles formed with drops of saline water were 42.5 degrees and 40.8 degrees, respectively. Treatment of the cells with trypsin or neuraminidase rendered their surfaces more hydrophobic, suggesting that sialic acid-containing glycoproteins are responsible for most of the hydrophilicity observed in the mononuclear cell surfaces from D. marsupialis.

Particle-In-Cell Simulations of the Solar Wind Interaction with Lunar Crustal Magnetic Anomalies: Magnetic Cusp Regions

NASA Technical Reports Server (NTRS)

Poppe, A. R.; Halekas, J. S.; Delory, G. T.; Farrell, W. M.

2012-01-01

As the solar wind is incident upon the lunar surface, it will occasionally encounter lunar crustal remanent magnetic fields. These magnetic fields are small-scale, highly non-dipolar, have strengths up to hundreds of nanotesla, and typically interact with the solar wind in a kinetic fashion. Simulations, theoretical analyses, and spacecraft observations have shown that crustal fields can reflect solar wind protons via a combination of magnetic and electrostatic reflection; however, analyses of surface properties have suggested that protons may still access the lunar surface in the cusp regions of crustal magnetic fields. In this first report from a planned series of studies, we use a 1 1/2-dimensional, electrostatic particle-in-cell code to model the self-consistent interaction between the solar wind, the cusp regions of lunar crustal remanent magnetic fields, and the lunar surface. We describe the self-consistent electrostatic environment within crustal cusp regions and discuss the implications of this work for the role that crustal fields may play regulating space weathering of the lunar surface via proton bombardment.

Pharmacological and structure-activity relationship evaluation of 4-aryl-1-diphenylacetyl(thio)semicarbazides.

PubMed

Wujec, Monika; Kędzierska, Ewa; Kuśmierz, Edyta; Plech, Tomasz; Wróbel, Andrzej; Paneth, Agata; Orzelska, Jolanta; Fidecka, Sylwia; Paneth, Piotr

2014-04-16

This article describes the synthesis of six 4-aryl-(thio)semicarbazides (series a and b) linked with diphenylacetyl moiety along with their pharmacological evaluation on the central nervous system in mice and computational studies, including conformational analysis and electrostatic properties. All thiosemicarbazides (series b) were found to exhibit strong antinociceptive activity in the behavioural model. Among them, compound 1-diphenylacetyl-4-(4-methylphenyl)thiosemicarbazide 1b was found to be the most potent analgesic agent, whose activity is connected with the opioid system. For compounds from series a significant anti-serotonergic effect, especially for compound 1-diphenylacetyl-4-(4-methoxyphenyl)semicarbazide 2b was observed. The computational studies strongly support the obtained results.

On the Chaotic Vibrations of Electrostatically Actuated Arch Micro/Nano Resonators: A Parametric Study

NASA Astrophysics Data System (ADS)

Tajaddodianfar, Farid; Hairi Yazdi, Mohammad Reza; Pishkenari, Hossein Nejat

Motivated by specific applications, electrostatically actuated bistable arch shaped micro-nano resonators have attracted growing attention in the research community in recent years. Nevertheless, some issues relating to their nonlinear dynamics, including the possibility of chaos, are still not well known. In this paper, we investigate the chaotic vibrations of a bistable resonator comprised of a double clamped initially curved microbeam under combined harmonic AC and static DC distributed electrostatic actuation. A reduced order equation obtained by the application of the Galerkin method to the nonlinear partial differential equation of motion, given in the framework of Euler-Bernoulli beam theory, is used for the investigation in this paper. We numerically integrate the obtained equation to study the chaotic vibrations of the proposed system. Moreover, we investigate the effects of various parameters including the arch curvature, the actuation parameters and the quality factor of the resonator, which are effective in the formation of both static and dynamic behaviors of the system. Using appropriate numerical tools, including Poincaré maps, bifurcation diagrams, Fourier spectrum and Lyapunov exponents we scrutinize the effects of various parameters on the formation of chaotic regions in the parametric space of the resonator. Results of this work provide better insight into the problem of nonlinear dynamics of the investigated family of bistable micro/nano resonators, and facilitate the design of arch resonators for applications such as filters.

The impact of base stacking on the conformations and electrostatics of single-stranded DNA.

PubMed

Plumridge, Alex; Meisburger, Steve P; Andresen, Kurt; Pollack, Lois

2017-04-20

Single-stranded DNA (ssDNA) is notable for its interactions with ssDNA binding proteins (SSBs) during fundamentally important biological processes including DNA repair and replication. Previous work has begun to characterize the conformational and electrostatic properties of ssDNA in association with SSBs. However, the conformational distributions of free ssDNA have been difficult to determine. To capture the vast array of ssDNA conformations in solution, we pair small angle X-ray scattering with novel ensemble fitting methods, obtaining key parameters such as the size, shape and stacking character of strands with different sequences. Complementary ion counting measurements using inductively coupled plasma atomic emission spectroscopy are employed to determine the composition of the ion atmosphere at physiological ionic strength. Applying this combined approach to poly dA and poly dT, we find that the global properties of these sequences are very similar, despite having vastly different propensities for single-stranded helical stacking. These results suggest that a relatively simple mechanism for the binding of ssDNA to non-specific SSBs may be at play, which explains the disparity in binding affinities observed for these systems. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Flexibility of the Cu,Zn superoxide dismutase structure investigated at 0.57 GPa.

PubMed

Ascone, Isabella; Savino, Carmelinda; Kahn, Richard; Fourme, Roger

2010-06-01

The 2 A resolution crystal structure of bovine erythrocyte Cu,Zn superoxide dismutase (CuZnSOD) has been determined by X-ray diffraction at high pressure (0.57 GPa) and room temperature. At 0.57 GPa the secondary, tertiary and quaternary structures are similar to other previously determined bovine erythrocyte CuZnSOD structures. Nevertheless, pressure has a localized impact on the atomic coordinates of C(alpha) atoms and on side chains. The compression of the crystal and of the protein backbone is anisotropic. This anisotropy is discussed, taking into account intermolecular contacts and protein conformation. Pressure perturbation highlights the more flexible zones in the protein such as the electrostatic loop. At 0.57 GPa, a global shift of the dimetallic sites in both subunits and changes in the oxidation state of Cu were observed. The flexibility of the electrostatic loop may be useful for the interaction of different metal carriers in the copper-uptake process, whereas the flexibility of the metal sites involved in the activity of the protein could contribute to explaining the ubiquitous character of CuZnSODs, which are found in organisms living in very different conditions, including the deep-sea environment. This work illustrates the potential of combining X-ray crystallography with high pressure to promote and stabilize higher energy conformational substates.

Aggrecan nanoscale solid-fluid interactions are a primary determinant of cartilage dynamic mechanical properties.

PubMed

Nia, Hadi Tavakoli; Han, Lin; Bozchalooi, Iman Soltani; Roughley, Peter; Youcef-Toumi, Kamal; Grodzinsky, Alan J; Ortiz, Christine

2015-03-24

Poroelastic interactions between interstitial fluid and the extracellular matrix of connective tissues are critical to biological and pathophysiological functions involving solute transport, energy dissipation, self-stiffening and lubrication. However, the molecular origins of poroelasticity at the nanoscale are largely unknown. Here, the broad-spectrum dynamic nanomechanical behavior of cartilage aggrecan monolayer is revealed for the first time, including the equilibrium and instantaneous moduli and the peak in the phase angle of the complex modulus. By performing a length scale study and comparing the experimental results to theoretical predictions, we confirm that the mechanism underlying the observed dynamic nanomechanics is due to solid-fluid interactions (poroelasticity) at the molecular scale. Utilizing finite element modeling, the molecular-scale hydraulic permeability of the aggrecan assembly was quantified (kaggrecan = (4.8 ± 2.8) × 10(-15) m(4)/N·s) and found to be similar to the nanoscale hydraulic permeability of intact normal cartilage tissue but much lower than that of early diseased tissue. The mechanisms underlying aggrecan poroelasticity were further investigated by altering electrostatic interactions between the molecule's constituent glycosaminoglycan chains: electrostatic interactions dominated steric interactions in governing molecular behavior. While the hydraulic permeability of aggrecan layers does not change across species and age, aggrecan from adult human cartilage is stiffer than the aggrecan from newborn human tissue.

Plasma drag on a dust grain due to Coulomb collisions

NASA Technical Reports Server (NTRS)

Northrop, T. G.; Birmingham, T. J.

1990-01-01

Expressions are given for the drag due to Coulomb collisions on a charged dust grain moving through a plasma. The commonly used Chandrasekhar (1943) result does not include large scattering angles or plasma collective effects. An equation given by Morfill et al. (1980) which does include large scattering angles, is limited to one-dimensional plasma particle motion and can give at least an order of magnitude too much drag. This paper also makes use of an analogy between the drag problem and problems in electrostatics. This analogy permits generalization to any isotropic plasma of an observation made by Chandrasekhar for a Maxwellian, namely, that the drag is independent of the presence or absence of plasma particles moving faster than the grain. Finally, the contribution of plasma collective effects to the drag is studied with the inclusion of large scattering angles.

Fully relativistic form factor for Thomson scattering.

PubMed

Palastro, J P; Ross, J S; Pollock, B; Divol, L; Froula, D H; Glenzer, S H

2010-03-01

We derive a fully relativistic form factor for Thomson scattering in unmagnetized plasmas valid to all orders in the normalized electron velocity, beta[over ]=v[over ]/c. The form factor is compared to a previously derived expression where the lowest order electron velocity, beta[over], corrections are included [J. Sheffield, (Academic Press, New York, 1975)]. The beta[over ] expansion approach is sufficient for electrostatic waves with small phase velocities such as ion-acoustic waves, but for electron-plasma waves the phase velocities can be near luminal. At high phase velocities, the electron motion acquires relativistic corrections including effective electron mass, relative motion of the electrons and electromagnetic wave, and polarization rotation. These relativistic corrections alter the scattered emission of thermal plasma waves, which manifest as changes in both the peak power and width of the observed Thomson-scattered spectra.

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

Repins, Ingrid; Mansfield, Lorelle; Kanevce, Ana

Band-edge effects - including grading, electrostatic fluctuations, bandgap fluctuations, and band tails - affect chalcogenide device efficiency. These effects now require more careful consideration as efficiencies increase beyond 20%. Several aspects of the relationships between band-edge phenomena and device performance for NREL absorbers are examined. For Cu(In, Ga)Se2 devices, recent increases in diffusion length imply changes to the optimum bandgap profile. The origin, impact, and modification of electrostatic and bandgap fluctuations are also discussed. The application of the same principles to devices based on CdTe, kesterites, and emerging absorbers (Cu2SnS3, CuSbS2), considering differences in materials properties, is examined.

Electrical torques on the electrostatic gyro in the gyro relativity experiment

NASA Technical Reports Server (NTRS)

Eby, P.; Darbo, W.

1980-01-01

A comprehensive discussion and calculation of electrical torques on an electrostatic gyro as they relate to the gyroscope experiment to test general relativity is presented. Drift rates were computed for some typical state of the art rotors, including higher harmonics in the rotor shape. The effect of orbital averaging of gravity gradient forces, roll averaging of torques, and the effect of spin averaging on the effective shape of the rotor were considered. The electrical torques are reduced sufficiently in a low g environment to permit a measurement of the relativistic drifts predicted by general relativity.

I. Hole-transporting dendrimers and their use in organic light-emitting devices (OLEDs) and II. Novel layered catalysts containing bipyridinium and zero-valent metal species

NASA Astrophysics Data System (ADS)

Koene, Shannon Carol

A series of polyaromatic ether/ester dendrimers containing a hole transporting naphthylphenylbenzyl amine at the periphery and a variety of fluorescent dyes at the core has been studied in an effort to observe energy transfer in these species. The dyes incorporated in these dendrimers include 1,4-dihydroxyanthraquinone (quinizarin), Coumarin 343, and a benzopentathiophene. These dendrimers have been incorporated into both single layer and heterostructure organic light emitting devices (OLEDs). In the case of first generation dendrimer OLEDs, excimer/exciplex formation was predominant. In third generation dendrimers, complete energy transfer from the periphery to the dye at the core was observed both in photoluminescence spectra and electroluminescence in OLEDs. Dendrimers containing different dye cores can be combined to achieve color mixing/tuning. In addition, layered catalysts were prepared via both covalent and electrostatic means to achieve the catalytic production of hydrogen peroxide from hydrogen and oxygen. Covalent catalysts were prepared by first growing layers of zirconium and a bipyridinium containing bisphosphonate onto silica particles. Palladium and/or platinum was ion-exchanged into the structure and reduced to the zero valent metal by hydrogen gas. A second set of catalysts was prepared by electrostatically depositing polycations/polyanions onto carboxylate or amine functionalized polystyrene microspheres. Anionic colloidal particles were adsorbed to the polycationic surface. An octacationic viologen oligomer was used in an attempt to increase the affinity of adsorption of the Pd particles to the surface of the microspheres. Catalytic studies of both types of catalysts are herein reported.

Nonequilibrium 2-Hydroxyoctadecanoic Acid Monolayers: Effect of Electrolytes

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

Lendrum, Conrad D.; Ingham, Bridget; Lin, Binhua

2012-02-06

2-Hydroxyacids display complex monolayer phase behavior due to the additional hydrogen bonding afforded by the presence of the second hydroxy group. The placement of this group at the position {alpha} to the carboxylic acid functionality also introduces the possibility of chelation, a utility important in crystallization including biomineralization. Biomineralization, like many biological processes, is inherently a nonequilibrium process. The nonequilibrium monolayer phase behavior of 2-hydroxyoctadecanoic acid was investigated on each of pure water, calcium chloride, sodium bicarbonate and calcium carbonate crystallizing subphases as a precursor study to a model calcium carbonate biomineralizing system, each at a pH of {approx}6. Themore » role of the bicarbonate co-ion in manipulating the monolayer structure was determined by comparison with monolayer phase behavior on a sodium chloride subphase. Monolayer phase behavior was probed using surface pressure/area isotherms, surface potential, Brewster angle microscopy, and synchrotron-based grazing incidence X-ray diffraction and X-ray reflectivity. Complex phase behavior was observed for all but the sodium chloride subphase with hydrogen bonding, electrostatic and steric effects defining the symmetry of the monolayer. On a pure water subphase hydrogen bonding dominates with three phases coexisting at low pressures. Introduction of calcium ions into the aqueous subphase ensures strong cation binding to the surfactant head groups through chelation. The monolayer becomes very unstable in the presence of bicarbonate ions within the subphase due to short-range hydrogen bonding interactions between the monolayer and bicarbonate ions facilitated by the sodium cation enhancing surfactant solubility. The combined effects of electrostatics and hydrogen bonding are observed on the calcium carbonate crystallizing subphase.« less

PREFACE: Electrostatics 2015

NASA Astrophysics Data System (ADS)

Matthews, James

2015-10-01

Electrostatics 2015, supported by the Institute of Physics, was held in the Sir James Matthews building at Southampton Solent University, UK between 12th and 16th April 2015. Southampton is a historic city on the South Coast of England with a strong military and maritime history. Southampton is home to two Universities: Solent University, which hosted the conference, and the University of Southampton, where much work is undertaken related to electrostatics. 37 oral and 44 poster presentations were accepted for the conference, and 60 papers were submitted and accepted for the proceedings. The Bill Bright Memorial Lecture was delivered this year by Professor Mark Horenstein from Boston University who was, until recently, Editor-in-Chief of the Journal of Electrostatics. He spoke on The contribution of surface potential to diverse problems in electrostatics and his thorough knowledge of the subject of electrostatics was evident in the presentation. The first session was chaired by the Conference Chair, Dr Keith Davies, whose experience in the field showed through his frequent contributions to the discussions throughout the conference. Hazards and Electrostatic Discharge have formed a strong core to Electrostatics conferences for many years, and this conference contained sessions on both Hazards and on ESD, including an invited talk from Dr Jeremy Smallwood on ESD in Industry - Present and Future. Another strong theme to emerge from this year's programme was Non-Thermal Plasmas, which was covered in two sessions. There were two invited talks on this subject: Professor Masaaki Okubo gave a talk on Development of super-clean diesel engine and combustor using nonthermal plasma hybrid after treatment and Dr David Go presented a talk on Atmospheric-pressure ionization processes: New approaches and applications for plasmas in contact with liquids. A new innovation to the conference this year was the opportunity for conference sponsors to present to the delegates a technical presentation related to their work. Chilworth Technology and Infolytica both took advantage of this opportunity. David Firth from Chilworth Technology delivered some case studies related to process safety and Chris Emson from Infolytica compared the different types of modelling software used in industry and academia. For two days of the conference, an exhibition was held for delegates to meet and discuss their work with interested companies. Sessions on Modelling and Simulation and on Measurement and Instrumentation were included. Recent successful IOP meetings on Electrospinning and Electrospray prove that this is an important topic, and were the subject of a session in the conference, including an invited talk by Dr Horst von Recum on Electrospun materials for affinity based drug delivery. The conference finished with a session on Environmental and Space Applications. The Southampton Yacht Club provided a fitting venue for the conference dinner on the Wednesday evening. Meal times, and conference dinners in particular, are always a great opportunity to meet with other workers in related fields, and there were many conversations started in question and answer sessions that continued over a plate of food. Within the conference dinner, prizes were awarded for the best student work. Ladislav Konopka's talk in the modelling and simulation session discussed how different particle sizes can be shown to transfer charge in a modelled system. Matthias Perez's poster presented early work on the use of a small-scale wind turbine to generate wind power. The discussions both within the lecture theatre and the ongoing discussions that occur over coffee and tea in between sessions are often a place where new ideas are shared. In fact, the presentation submitted by Dr Atsushi Ohsawa, Charge neutralisation from the side surface of an insulating plate, acknowledged an inspiration from a question raised at a previous Electrostatics conference in Budapest in 2013. In these proceedings the conference committee took the decision to transcribe the questions and answers to leave a lasting record of the conversations that took place after each oral presentation and they are included in the printed proceedings. I am very grateful to Keith Davies and the conference committee, and Joanne Hemstock and other IOP staff, who provided advice and assistance throughout the whole process. A peer reviewed proceedings is not possible without willing expert reviewers who are able to provide reviews on abstracts and submitted papers. I am grateful to all who undertook reviews throughout the process. I hope to see many of this year's delegates in four years time for Electrostatics 2019.

a Study of Ion Acceleration at Rocket Altitudes and Development and Calibration of Pitch Angle Imaging Charged Particle Detectors.

NASA Astrophysics Data System (ADS)

Garbe, Gregory Paul

1990-01-01

Data obtained from the January 1988 flight of the Topaz 2 sounding rocket will be presented. It has been found that four types of ion populations were observed during this flight. During the early portions of the upleg and late portions of the downleg numerical fits of the plasma will be compared with in-situ data to show the Maxwellian behavior and derived plasma parameters. Throughout the middle portion of the flight superthermal tails (ion conics) were observed and are modeled using a bi-Maxwellian distribution function from which T_{rm perp } and T_{rm par} can be derived. Two other ion populations were observed in the most intense auroral arcs. Transverse accelerated ions (TAI) were observed continuously in these arcs. The individual TAI events were found to have spatial/temporal scales on the order of the analyzer resolution ( ~1 sec). The characteristic perpendicular energy of the TAI reached as high as 7 eV compared to 1 eV during non-TAI times. High-energy tails have also been observed during TAI events and have perpendicular temperatures in the hundreds of eV. The second ion population found in the arcs of high energy electron precipitation is a cold downflowing population. The typical streaming velocity for this population is 2 km/s. A correlation between the high energy auroral electron precipitation, observed electrostatic oxygen cyclotron waves, cold down flowing ions and the TAI will be presented. Preparation and calibration of the instruments for NASA flight 35.020 will also be presented. As part of NASA flight 35.020, an upgrade of the calibration facility was performed. The calibration facility project included the designing and implementation of a photoelectric electron gun and an electron impact ion gun. The characteristics of these two particle sources will be discussed. A procedure for the coating of electrostatic charged particle analyzers with metal blacks were devised and will be presented. Finally, the results of the calibration tests of the instruments flown on flight 35.020 will be shown.

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.

Prediction of protein-protein interaction sites using electrostatic desolvation profiles.

PubMed

Fiorucci, Sébastien; Zacharias, Martin

2010-05-19

Protein-protein complex formation involves removal of water from the interface region. Surface regions with a small free energy penalty for water removal or desolvation may correspond to preferred interaction sites. A method to calculate the electrostatic free energy of placing a neutral low-dielectric probe at various protein surface positions has been designed and applied to characterize putative interaction sites. Based on solutions of the finite-difference Poisson equation, this method also includes long-range electrostatic contributions and the protein solvent boundary shape in contrast to accessible-surface-area-based solvation energies. Calculations on a large set of proteins indicate that in many cases (>90%), the known binding site overlaps with one of the six regions of lowest electrostatic desolvation penalty (overlap with the lowest desolvation region for 48% of proteins). Since the onset of electrostatic desolvation occurs even before direct protein-protein contact formation, it may help guide proteins toward the binding region in the final stage of complex formation. It is interesting that the probe desolvation properties associated with residue types were found to depend to some degree on whether the residue was outside of or part of a binding site. The probe desolvation penalty was on average smaller if the residue was part of a binding site compared to other surface locations. Applications to several antigen-antibody complexes demonstrated that the approach might be useful not only to predict protein interaction sites in general but to map potential antigenic epitopes on protein surfaces. Copyright (c) 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Ultrafast and low barrier motions in the photoreactions of the green fluorescent protein.

PubMed

van Thor, Jasper J; Georgiev, Georgi Y; Towrie, Michael; Sage, J Timothy

2005-09-30

Green fluorescent protein (GFP) fluoresces efficiently under blue excitation despite major electrostatic rearrangements resulting from photoionization of the chromophore and neutralization of Glu-222. A competing phototransformation process, which ionizes the chromophore and decarboxylates Glu-222, mimics the electrostatic and structural changes in the fluorescence photocycle. Structural and spectroscopic analysis of the cryogenically stabilized photoproduct at 100 K and a structurally annealed intermediate of the phototransformed protein at 170 K reveals distinct structural relaxations involving protein, chromophore, solvent, and photogenerated CO2. Strong structural changes of the 100 K photoproduct after decarboxylation appear exclusively within 15 angstroms of the chromophore and include the electrostatically driven perturbations of Gln-69, Cys-70, and water molecules in an H-bonding network connecting the chromophore. X-ray crystallography to 1.85 angstroms resolution and static and picosecond time-resolved IR spectroscopy identify structural mechanisms common to phototransformation and to the fluorescence photocycle. In particular, the appearance of a 1697 cm(-1) (+) difference band in both photocycle and phototransformation intermediates is a spectroscopic signature for the structural perturbation of Gln-69. This is taken as evidence for an electrostatically driven dynamic response that is common to both photoreaction pathways. The interactions between the chromophore and the perturbed residues and solvent are decreased or removed in the T203H single and T203H/Q69L double mutants, resulting in a strong reduction of the fluorescence quantum yield. This suggests that the electrostatic response to the transient formation of a buried charge in the wild type is important for the bright fluorescence.

Science Notes.

ERIC Educational Resources Information Center

School Science Review, 1990

1990-01-01

Presented are 29 science activities for secondary school science instruction. Topic areas include botany, genetics, biochemistry, anatomy, entomology, molecular structure, spreadsheets, chemistry, mechanics, astronomy, relativity, aeronautics, instrumentation, electrostatics, quantum mechanics, and laboratory interfacing. (CW)

RNA folding: structure prediction, folding kinetics and ion electrostatics.

PubMed

Tan, Zhijie; Zhang, Wenbing; Shi, Yazhou; Wang, Fenghua

2015-01-01

Beyond the "traditional" functions such as gene storage, transport and protein synthesis, recent discoveries reveal that RNAs have important "new" biological functions including the RNA silence and gene regulation of riboswitch. Such functions of noncoding RNAs are strongly coupled to the RNA structures and proper structure change, which naturally leads to the RNA folding problem including structure prediction and folding kinetics. Due to the polyanionic nature of RNAs, RNA folding structure, stability and kinetics are strongly coupled to the ion condition of solution. The main focus of this chapter is to review the recent progress in the three major aspects in RNA folding problem: structure prediction, folding kinetics and ion electrostatics. This chapter will introduce both the recent experimental and theoretical progress, while emphasize the theoretical modelling on the three aspects in RNA folding.

Mechanically latchable tiltable platform for forming micromirrors and micromirror arrays

DOEpatents

Garcia, Ernest J [Albuquerque, NM; Polosky, Marc A [Tijeras, NM; Sleefe, Gerard E [Cedar Crest, NM

2006-12-12

A microelectromechanical (MEM) apparatus is disclosed which includes a platform that can be electrostatically tilted from being parallel to a substrate on which the platform to being tilted at an angle of 1 20 degrees with respect to the substrate. Once the platform has been tilted to a maximum angle of tilt, the platform can be locked in position using an electrostatically-operable latching mechanism which engages a tab protruding below the platform. The platform has a light-reflective upper surface which can be optionally coated to provide an enhanced reflectivity and form a micromirror. An array of such micromirrors can be formed on a common substrate for applications including optical switching (e.g. for fiber optic communications), optical information processing, image projection displays or non-volatile optical memories.

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.

Exploring the Feasibility of Electrostatic Shielding for Spacecrafts

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, J. W.; Youngquist, R. C.

2005-01-01

NASA is moving forward towards the agency's new vision for space exploration in the 21st Century encompassing a broad range of human and robotic missions including missions to Moon, Mars and beyond. Exposure from the hazards of severe space radiation in deep space long duration missions is the show stopper. Langley has developed state-of-the-art radiation protection and shielding technology for space missions. The payload penalty demands a very stringent requirement on the design of the spacecrafts for human deep space missions. The exploration beyond low Earth orbit (LEO) to enable routine access to more interesting regions of space will require protection from the hazards of the accumulated exposures of space radiation, Galactic Cosmic Rays (GCR) and Solar Particle Events (SPE), and minimizing the production of secondary radiation is a great advantage. There is a need to look to new horizons for newer technologies. The present investigation explores the feasibility of using electrostatic shielding in concert with innovative materials shielding and protection technologies. The asymmetries of the radiation shielding problem would be exploited in the electrostatics shielding process. The goal is to repel enough positive charge ions so that they miss the spacecraft without attracting thermal electrons. Conclusions are drawn about the advantages the electrostatic shielding, should it be successful, would bring to the radiation protection design process.

Force Field for Water Based on Neural Network.

PubMed

Wang, Hao; Yang, Weitao

2018-05-18

We developed a novel neural network based force field for water based on training with high level ab initio theory. The force field was built based on electrostatically embedded many-body expansion method truncated at binary interactions. Many-body expansion method is a common strategy to partition the total Hamiltonian of large systems into a hierarchy of few-body terms. Neural networks were trained to represent electrostatically embedded one-body and two-body interactions, which require as input only one and two water molecule calculations at the level of ab initio electronic structure method CCSD/aug-cc-pVDZ embedded in the molecular mechanics water environment, making it efficient as a general force field construction approach. Structural and dynamic properties of liquid water calculated with our force field show good agreement with experimental results. We constructed two sets of neural network based force fields: non-polarizable and polarizable force fields. Simulation results show that the non-polarizable force field using fixed TIP3P charges has already behaved well, since polarization effects and many-body effects are implicitly included due to the electrostatic embedding scheme. Our results demonstrate that the electrostatically embedded many-body expansion combined with neural network provides a promising and systematic way to build the next generation force fields at high accuracy and low computational costs, especially for large systems.

Molecular Dynamics Simulations on Gas-Phase Proteins with Mobile Protons: Inclusion of All-Atom Charge Solvation.

PubMed

Konermann, Lars

2017-08-31

Molecular dynamics (MD) simulations have become a key tool for examining the properties of electrosprayed protein ions. Traditional force fields employ static charges on titratable sites, whereas in reality, protons are highly mobile in gas-phase proteins. Earlier studies tackled this problem by adjusting charge patterns during MD runs. Within those algorithms, proton redistribution was subject to energy minimization, taking into account electrostatic and proton affinity contributions. However, those earlier approaches described (de)protonated moieties as point charges, neglecting charge solvation, which is highly prevalent in the gas phase. Here, we describe a mobile proton algorithm that considers the electrostatic contributions from all atoms, such that charge solvation is explicitly included. MD runs were broken down into 50 ps fixed-charge segments. After each segment, the electrostatics was reanalyzed and protons were redistributed. Challenges associated with computational cost were overcome by devising a streamlined method for electrostatic calculations. Avidin (a 504-residue protein complex) maintained a nativelike fold over 200 ns. Proton transfer and side chain rearrangements produced extensive salt bridge networks at the protein surface. The mobile proton technique introduced here should pave the way toward future studies on protein folding, unfolding, collapse, and subunit dissociation in the gas phase.

An Overview of the Materials Science Research at the Marshall Space Flight Center Electrostatic Levitator Facility and Recent CDDF Efforts

NASA Technical Reports Server (NTRS)

2003-01-01

Containerless processing is an important tool for materials research. The freedom from a crucible allows processing of liquid materials in a metastable undercooled state, as well as allowing processing of high temperature and highly reactive melts. Electrostatic levitation (ESL) is a containerless method which provides a number of unique advantages, including the ability to process non-conducting materials, the ability to operate in ultra-high vacuum or at moderate gas pressure (approx. = 5 atm), and the decoupling of positioning force from sample heating. ESL also has the potential to reduce internal flow velocities below those possible with electromagnetic, acoustic, or aero-acoustic techniques. In electrostatic levitation, the acceleration of gravity (or residual acceleration in reduced gravity) is opposed by the action of an applied electric field on a charged sample. Microgravity allows electrostatic levitation to work even more effectively. The ESL facility at NASA s Marshall Space Flight Center is in use for materials research and thermophysical property measurement by a number of different internal and external investigators. Results from the recent CDDF studies on the high energy X-ray beamline at the Advanced Photon Source of Argonne National Laboratory will be presented. The Microgravity Research Program supports the facility.

Anisotropic solvent model of the lipid bilayer. 1. Parameterization of long-range electrostatics and first solvation shell effects.

PubMed

Lomize, Andrei L; Pogozheva, Irina D; Mosberg, Henry I

2011-04-25

A new implicit solvation model was developed for calculating free energies of transfer of molecules from water to any solvent with defined bulk properties. The transfer energy was calculated as a sum of the first solvation shell energy and the long-range electrostatic contribution. The first term was proportional to solvent accessible surface area and solvation parameters (σ(i)) for different atom types. The electrostatic term was computed as a product of group dipole moments and dipolar solvation parameter (η) for neutral molecules or using a modified Born equation for ions. The regression coefficients in linear dependencies of solvation parameters σ(i) and η on dielectric constant, solvatochromic polarizability parameter π*, and hydrogen-bonding donor and acceptor capacities of solvents were optimized using 1269 experimental transfer energies from 19 organic solvents to water. The root-mean-square errors for neutral compounds and ions were 0.82 and 1.61 kcal/mol, respectively. Quantification of energy components demonstrates the dominant roles of hydrophobic effect for nonpolar atoms and of hydrogen-bonding for polar atoms. The estimated first solvation shell energy outweighs the long-range electrostatics for most compounds including ions. The simplicity and computational efficiency of the model allows its application for modeling of macromolecules in anisotropic environments, such as biological membranes.

Cytoplasmic dynein binding, run length, and velocity are guided by long-range electrostatic interactions

PubMed Central

Li, Lin; Alper, Joshua; Alexov, Emil

2016-01-01

Dyneins are important molecular motors involved in many essential biological processes, including cargo transport along microtubules, mitosis, and in cilia. Dynein motility involves the coupling of microtubule binding and unbinding to a change in the configuration of the linker domain induced by ATP hydrolysis, which occur some 25 nm apart. This leaves the accuracy of dynein stepping relatively inaccurate and susceptible to thermal noise. Using multi-scale modeling with a computational focusing technique, we demonstrate that the microtubule forms an electrostatic funnel that guides the dynein’s microtubule binding domain (MTBD) as it finally docks to the precise, keyed binding location on the microtubule. Furthermore, we demonstrate that electrostatic component of the MTBD’s binding free energy is linearly correlated with the velocity and run length of dynein, and we use this linearity to predict the effect of mutating each glutamic and aspartic acid located in MTBD domain to alanine. Lastly, we show that the binding of dynein to the microtubule is associated with conformational changes involving several helices, and we localize flexible hinge points within the stalk helices. Taken all together, we demonstrate that long range electrostatic interactions bring a level of precision to an otherwise noisy dynein stepping process. PMID:27531742

Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent

PubMed Central

Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu

2011-01-01

A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of all-atom simulations of model compounds in solution. Instead of matching the overall effective forces produced by atomic models, the fundamental intermolecular forces such as electrostatic, repulsion-dispersion, and solvation are represented explicitly at a CG level. We demonstrate that the CG alanine dipeptide model is able to reproduce quantitatively the conformational energy of all-atom force fields in both gas and solution phases, including the electrostatic and solvation components. Replica exchange molecular dynamics and microsecond dynamic simulations of polyalanine of 5 and 12 residues reveal that the CG polyalanines fold into “alpha helix” and “beta sheet” structures. The 5-residue polyalanine displays a substantial increase in the “beta strand” fraction relative to the 12-residue polyalanine. The detailed conformational distribution is compared with those reported from recent all-atom simulations and experiments. The results suggest that the new coarse-graining approach presented in this study has the potential to offer both accuracy and efficiency for biomolecular modeling. PMID:22029338

Uncertainty quantification analysis of the dynamics of an electrostatically actuated microelectromechanical switch model

NASA Astrophysics Data System (ADS)

Snow, Michael G.; Bajaj, Anil K.

2015-08-01

This work presents an uncertainty quantification (UQ) analysis of a comprehensive model for an electrostatically actuated microelectromechanical system (MEMS) switch. The goal is to elucidate the effects of parameter variations on certain key performance characteristics of the switch. A sufficiently detailed model of the electrostatically actuated switch in the basic configuration of a clamped-clamped beam is developed. This multi-physics model accounts for various physical effects, including the electrostatic fringing field, finite length of electrodes, squeeze film damping, and contact between the beam and the dielectric layer. The performance characteristics of immediate interest are the static and dynamic pull-in voltages for the switch. Numerical approaches for evaluating these characteristics are developed and described. Using Latin Hypercube Sampling and other sampling methods, the model is evaluated to find these performance characteristics when variability in the model's geometric and physical parameters is specified. Response surfaces of these results are constructed via a Multivariate Adaptive Regression Splines (MARS) technique. Using a Direct Simulation Monte Carlo (DSMC) technique on these response surfaces gives smooth probability density functions (PDFs) of the outputs characteristics when input probability characteristics are specified. The relative variation in the two pull-in voltages due to each of the input parameters is used to determine the critical parameters.

Amplified effect of Brownian motion in bacterial near-surface swimming

PubMed Central

Li, Guanglai; Tam, Lick-Kong; Tang, Jay X.

2008-01-01

Brownian motion influences bacterial swimming by randomizing displacement and direction. Here, we report that the influence of Brownian motion is amplified when it is coupled to hydrodynamic interaction. We examine swimming trajectories of the singly flagellated bacterium Caulobacter crescentus near a glass surface with total internal reflection fluorescence microscopy and observe large fluctuations over time in the distance of the cell from the solid surface caused by Brownian motion. The observation is compared with computer simulation based on analysis of relevant physical factors, including electrostatics, van der Waals force, hydrodynamics, and Brownian motion. The simulation reproduces the experimental findings and reveals contribution from fluctuations of the cell orientation beyond the resolution of present observation. Coupled with hydrodynamic interaction between the bacterium and the boundary surface, the fluctuations in distance and orientation subsequently lead to variation of the swimming speed and local radius of curvature of swimming trajectory. These results shed light on the fundamental roles of Brownian motion in microbial motility, nutrient uptake, and adhesion. PMID:19015518

New trend in electron holography

NASA Astrophysics Data System (ADS)

Tanigaki, Toshiaki; Harada, Ken; Murakami, Yasukazu; Niitsu, Kodai; Akashi, Tetsuya; Takahashi, Yoshio; Sugawara, Akira; Shindo, Daisuke

2016-06-01

Electron holography using a coherent electron wave is a promising technique for high-resolution visualization of electromagnetic fields in and around objects. The capability of electron holography has been enhanced by the development of new technologies and has thus become an even more powerful tool for exploring scientific frontiers. This review introduces these technologies including split-illumination electron holography and vector-field electron tomography. Split-illumination electron holography, which uses separated coherent waves, overcomes the limits imposed by the lateral coherence requirement for electron waves in electron holography. Areas that are difficult to observe using conventional electron holography are now observable. Exemplified applications include observing a singular magnetic domain wall in electrical steel sheets, local magnetizations at anti-phase boundaries, and electrostatic potentials in metal-oxide-semiconductor field-effect transistors. Vector-field electron tomography can be used to visualize magnetic vectors in three dimensions. Two components of the vectors are reconstructed using dual-axis tomography, and the remaining one is calculated using div B   =  0. A high-voltage electron microscope can be used to achieve precise magnetic reconstruction. For example, magnetic vortices have been visualized using a 1 MV holography electron microscope.

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.

Two-dimensional time-resolved X-ray diffraction study of liquid/solid fraction and solid particle size in Fe-C binary system with an electrostatic levitator furnace

NASA Astrophysics Data System (ADS)

Yonemura, M.; Okada, J.; Watanabe, Y.; Ishikawa, T.; Nanao, S.; Shobu, T.; Toyokawa, H.

2013-03-01

Liquid state provides functions such as matter transport or a reaction field and plays an important role in manufacturing processes such as refining, forging or welding. However, experimental procedures are significantly difficult for an observation of solidification process of iron and iron-based alloys in order to identify rapid transformations subjected to fast temperature evolution. Therefore, in order to study the solidification in iron and iron-based alloys, we considered a combination of high energy X-ray diffraction measurements and an electrostatic levitation method (ESL). In order to analyze the liquid/solid fraction, the solidification of melted spherical specimens was measured at a time resolution of 0.1 seconds during rapid cooling using the two-dimensional time-resolved X-ray diffraction. Furthermore, the observation of particle sizes and phase identification was performed on a trial basis using X-ray small angle scattering with X-ray diffraction.

A theory of Jovian decameter radiation

NASA Technical Reports Server (NTRS)

Goldstein, M. L.; Sharma, R. R.; Papadopoulos, K.; Ben-Ari, M.; Eviatar, A.

1983-01-01

A theory of the Jovian decameter radiation is presented based on the assumed existence of beams of energetic electrons in the inner Jovian magnetosphere. Beam-like electron distributions are shown to be unstable to the growth of both upper hybrid and lower hybrid electrostatic waves. The upconversion of these waves to fast extraordinary mode electromagnetic radiation is calculated by using a fluid model. Two possibilities are considered. First, a random phase approximation is made which leads to a very conservative estimate of intensity that can be expected in decameter radiation. The alternative possibility is also considered, viz, that the upconversion process is coherent. A comparison of both processes suggests that an incoherent interaction may be adequate to account for the observed intensity of decametric radiation, except perhaps near the peak of the spectrum (8 MHz). The coherent process is intrinsically more efficient and can easily produce the observed intensity near 8 MHz if only 0.01% of the energy in the beam is converted to electrostatic energy.

Physics 3204. Course Description.

ERIC Educational Resources Information Center

Newfoundland and Labrador Dept. of Education.

A description of the physics 3204 course in Newfoundland and Labrador is provided. The description includes: (1) statement of purpose, including general objectives of science education; (2) a list of six course objectives; (3) course content for units on sound, light, optical instruments, electrostatics, current electricity, Michael Faraday and…

Charging/discharge events in coated spacecraft polymers during electron beam irradiation in a scanning electron microscope

NASA Astrophysics Data System (ADS)

Czeremuszkin, G.; Latrèche, M.; Wertheimer, M. R.

2001-12-01

Spacecraft, such as those operating in geosynchronous orbit (GEO), can be subjected to intense irradiation by charged particles, for example high-energy (e.g. 20 keV) electrons. The surfaces of dielectric materials (for example, polymers used as "thermal blankets") can therefore become potential sites for damaging electrostatic discharge (ESD) pulse events. We simulate these conditions by examining small specimens of three relevant polymers (polyimide, polyester and fluoropolymer), both bare and coated, in a scanning electron microscope (SEM). The coatings examined include commercial indium-tin oxide (ITO), and thin films of SiO 2 and a-Si:H deposited by plasma-enhanced chemical vapor deposition (PECVD). All coatings are found to greatly modify the observed ESD behavior, compared with that of the bare polymer counterparts. These observations are explained in terms of the model for ESD pulses proposed by Frederickson.

Microfluidic quadrupole and floating concentration gradient.

PubMed

Qasaimeh, Mohammad A; Gervais, Thomas; Juncker, David

2011-09-06

The concept of fluidic multipoles, in analogy to electrostatics, has long been known as a particular class of solutions of the Navier-Stokes equation in potential flows; however, experimental observations of fluidic multipoles and of their characteristics have not been reported yet. Here we present a two-dimensional microfluidic quadrupole and a theoretical analysis consistent with the experimental observations. The microfluidic quadrupole was formed by simultaneously injecting and aspirating fluids from two pairs of opposing apertures in a narrow gap formed between a microfluidic probe and a substrate. A stagnation point was formed at the centre of the microfluidic quadrupole, and its position could be rapidly adjusted hydrodynamically. Following the injection of a solute through one of the poles, a stationary, tunable, and movable-that is, 'floating'-concentration gradient was formed at the stagnation point. Our results lay the foundation for future combined experimental and theoretical exploration of microfluidic planar multipoles including convective-diffusive phenomena.

Particle emission rates during electrostatic spray deposition of TiO2 nanoparticle-based photoactive coating.

PubMed

Koivisto, Antti J; Jensen, Alexander C Ø; Kling, Kirsten I; Kling, Jens; Budtz, Hans Christian; Koponen, Ismo K; Tuinman, Ilse; Hussein, Tareq; Jensen, Keld A; Nørgaard, Asger; Levin, Marcus

2018-01-05

Here, we studied the particle release rate during Electrostatic spray deposition of anatase-(TiO 2 )-based photoactive coating onto tiles and wallpaper using a commercially available electrostatic spray device. Spraying was performed in a 20.3m 3 test chamber while measuring concentrations of 5.6nm to 31μm-size particles and volatile organic compounds (VOC), as well as particle deposition onto room surfaces and on the spray gun user hand. The particle emission and deposition rates were quantified using aerosol mass balance modelling. The geometric mean particle number emission rate was 1.9×10 10 s -1 and the mean mass emission rate was 381μgs -1 . The respirable mass emission-rate was 65% lower than observed for the entire measured size-range. The mass emission rates were linearly scalable (±ca. 20%) to the process duration. The particle deposition rates were up to 15h -1 for <1μm-size and the deposited particles consisted of mainly TiO 2 , TiO 2 mixed with Cl and/or Ag, TiO 2 particles coated with carbon, and Ag particles with size ranging from 60nm to ca. 5μm. As expected, no significant VOC emissions were observed as a result of spraying. Finally, we provide recommendations for exposure model parameterization. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

pH-dependence of single-protein adsorption and diffusion at a liquid chromatographic interface.

PubMed

Kisley, Lydia; Poongavanam, Mohan-Vivekanandan; Kourentzi, Katerina; Willson, Richard C; Landes, Christy F

2016-02-01

pH is a common mobile phase variable used to control protein separations due to the tunable nature of amino acid and adsorbent charge. Like other column variables such as column density and ligand loading density, pH is usually optimized empirically. Single-molecule spectroscopy extracts molecular-scale data to provide a framework for mechanistic optimization of pH. The adsorption and diffusion of a model globular protein, α-lactalbumin, was studied by single-molecule microscopy at a silica-aqueous interface analogous to aqueous normal phase and hydrophilic interaction chromatography and capillary electrophoresis interfaces at varied pH. Electrostatic repulsion resulting in free diffusion was observed at pH above the isoelectric point of the protein. In contrast, at low pH strong adsorption and surface diffusion with either no (D ∼ 0.01 μm(2) /s) or translational (D ∼ 0.3 μm(2) /s) motion was observed where the protein likely interacted with the surface through electrostatic, hydrophobic, and hydrogen bonding forces. The fraction of proteins immobilized could be increased by lowering the pH. These results show that retention of proteins at the silica interface cannot be viewed solely as an adsorption/desorption process and that the type of surface diffusion, which ultimately leads to ensemble chromatographic separations, can be controlled by tuning long-range electrostatic and short-range hydrophobic and hydrogen bonding forces with pH. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Anomalous columnar order of charged colloidal platelets

NASA Astrophysics Data System (ADS)

Morales-Anda, L.; Wensink, H. H.; Galindo, A.; Gil-Villegas, A.

2012-01-01

Monte Carlo computer simulations are carried out for a model system of like-charged colloidal platelets in the isothermal-isobaric ensemble (NpT). The aim is to elucidate the role of electrostatic interactions on the structure of synthetic clay systems at high particle densities. Short-range repulsions between particles are described by a suitable hard-core model representing a discotic particle. This potential is supplemented with an electrostatic potential based on a Yukawa model for the screened Coulombic potential between infinitely thin disklike macro-ions. The particle aspect-ratio and electrostatic parameters were chosen to mimic an aqueous dispersion of thin, like-charged, rigid colloidal platelets at finite salt concentration. An examination of the fluid phase diagram reveals a marked shift in the isotropic-nematic transition compared to the hard cut-sphere reference system. Several statistical functions, such as the pair correlation function for the center-of-mass coordinates and structure factor, are obtained to characterize the structural organization of the platelets phases. At low salinity and high osmotic pressure we observe anomalous hexagonal columnar structures characterized by interpenetrating columns with a typical intercolumnar distance corresponding to about half of that of a regular columnar phase. Increasing the ionic strength leads to the formation of glassy, disordered structures consisting of compact clusters of platelets stacked into finite-sized columns. These so-called "nematic columnar" structures have been recently observed in systems of charge-stabilized gibbsite platelets. Our findings are corroborated by an analysis of the static structure factor from a simple density functional theory.

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...