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Sample records for strong electrostatic interaction

  1. Strong coupling electrostatics for randomly charged surfaces: antifragility and effective interactions.

    Science.gov (United States)

    Ghodrat, Malihe; Naji, Ali; Komaie-Moghaddam, Haniyeh; Podgornik, Rudolf

    2015-05-07

    We study the effective interaction mediated by strongly coupled Coulomb fluids between dielectric surfaces carrying quenched, random monopolar charges with equal mean and variance, both when the Coulomb fluid consists only of mobile multivalent counterions and when it consists of an asymmetric ionic mixture containing multivalent and monovalent (salt) ions in equilibrium with an aqueous bulk reservoir. We analyze the consequences that follow from the interplay between surface charge disorder, dielectric and salt image effects, and the strong electrostatic coupling that results from multivalent counterions on the distribution of these ions and the effective interaction pressure they mediate between the surfaces. In a dielectrically homogeneous system, we show that the multivalent counterions are attracted towards the surfaces with a singular, disorder-induced potential that diverges logarithmically on approach to the surfaces, creating a singular but integrable counterion density profile that exhibits an algebraic divergence at the surfaces with an exponent that depends on the surface charge (disorder) variance. This effect drives the system towards a state of lower thermal 'disorder', one that can be described by a renormalized temperature, exhibiting thus a remarkable antifragility. In the presence of an interfacial dielectric discontinuity, the singular behavior of counterion density at the surfaces is removed but multivalent counterions are still accumulated much more strongly close to randomly charged surfaces as compared with uniformly charged ones. The interaction pressure acting on the surfaces displays in general a highly non-monotonic behavior as a function of the inter-surface separation with a prominent regime of attraction at small to intermediate separations. This attraction is caused directly by the combined effects from charge disorder and strong coupling electrostatics of multivalent counterions, which dominate the surface-surface repulsion due to

  2. A strong focussing cylindrical electrostatic quadrupole

    International Nuclear Information System (INIS)

    Sheng Yaochang

    1986-01-01

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

  3. Testing strong interaction theories

    International Nuclear Information System (INIS)

    Ellis, J.

    1979-01-01

    The author discusses possible tests of the current theories of the strong interaction, in particular, quantum chromodynamics. High energy e + e - interactions should provide an excellent means of studying the strong force. (W.D.L.)

  4. Strong interaction and QFD

    International Nuclear Information System (INIS)

    Ebata, T.

    1981-01-01

    With an assumed weak multiplet structure for bosonic hadrons, which is consistent with the ΔI = 1/2 rule, it is shown that the strong interaction effective hamiltonian is compatible with the weak SU(2) x U(1) gauge transformation. Especially the rho-meson transforms as a triplet under SU(2)sub(w), and this is the origin of the rho-photon analogy. It is also shown that the existence of the non-vanishing Cabibbo angle is a necessary condition for the absence of the exotic hadrons. (orig.)

  5. Electrostatic interactions in aqueous solutions of polyelectrolyte

    International Nuclear Information System (INIS)

    Belloni, Luc

    1982-01-01

    In this study, the structure, equilibrium and transport properties of poly-electrolytes solutions are reported. These dissymmetric systems are studied in the context of a primitive model (Charged hard spheres and rods in a solvent continuum). The first phenomenon studied is the strong electrostatic attractive interaction of counterions on the poly-ion surface. The model used considers the poly-ions on a matrix and the different concentrations are calculated using the P.B. equation. Auto-diffusion coefficients obtained give a good description of experimental slowing down of the counterions. The model allows a correlation between the theoretical limits represented by Bjerrum's and Manning's models and gives a physical significance to the concept of condensation. In the second part, the complete structure is calculated using only slightly restrictive H.N.C. approximation. This theory enables all the pair correlation functions to be calculated as well as thermodynamic data and structure factors. The last part of this study treats transport phenomena. Quasi-elastic light scattering gives information on the autocorrelation function of the scattered light intensity. Analysis using cumulants leads to an effective diffusion coefficient which is theoretically related to the structure factor and the hydrodynamic interactions. A crude approximation of the last contribution allows to fit the experimental data. (author) [fr

  6. Strong-interaction nonuniversality

    International Nuclear Information System (INIS)

    Volkas, R.R.; Foot, R.; He, X.; Joshi, G.C.

    1989-01-01

    The universal QCD color theory is extended to an SU(3) 1 direct product SU(3) 2 direct product SU(3) 3 gauge theory, where quarks of the ith generation transform as triplets under SU(3)/sub i/ and singlets under the other two factors. The usual color group is then identified with the diagonal subgroup, which remains exact after symmetry breaking. The gauge bosons associated with the 16 broken generators then form two massive octets under ordinary color. The interactions between quarks and these heavy gluonlike particles are explicitly nonuniversal and thus an exploration of their physical implications allows us to shed light on the fundamental issue of strong-interaction universality. Nonuniversality and weak flavor mixing are shown to generate heavy-gluon-induced flavor-changing neutral currents. The phenomenology of these processes is studied, as they provide the major experimental constraint on the extended theory. Three symmetry-breaking scenarios are presented. The first has color breaking occurring at the weak scale, while the second and third divorce the two scales. The third model has the interesting feature of radiatively induced off-diagonal Kobayashi-Maskawa matrix elements

  7. Strong interaction phenomenology

    International Nuclear Information System (INIS)

    Giffon, M.

    1989-01-01

    A brief review of high energy hadronic data (Part I)is followed by an introduction to the standard (Weinberg Salam Glashow) model of electroweak interactions and its extension to the hadrons (Part II). Rudiments of QCD and of the parton model area given in Part III together with a quick review of the spectroscopy of heavy flavours whereas Part IV is devoted to the introduction to deep inelastic scattering and to the so-called EMC effects. (author)

  8. Strong WW Interaction at LHC

    Energy Technology Data Exchange (ETDEWEB)

    Pelaez, Jose R

    1998-12-14

    We present a brief pedagogical introduction to the Effective Electroweak Chiral Lagrangians, which provide a model independent description of the WW interactions in the strong regime. When it is complemented with some unitarization or a dispersive approach, this formalism allows the study of the general strong scenario expected at the LHC, including resonances.

  9. Electrostatic interactions in gas-solid chromatography.

    Science.gov (United States)

    Benson, S. W.; King, J., Jr.

    1966-01-01

    Electrostatic theory of physical adsorption applied to gas-solid chromatography, discussing chromatographic inseparability of argon and oxygen at room temperature, prediction of elution order of many gases, etc

  10. Effect of electrostatic interactions on the formation of proton transfer ...

    Indian Academy of Sciences (India)

    WINTEC

    Electrostatic interactions are known to play a crucial role in protein structure and function as evident from a large number of studies, for example, in enzymatic catalysis,1,2 proton transfer,3,4 electron transfer,5,6 ion channels7,8 and ligand binding.9,10 Therefore, quantita- tive estimations of the electrostatic energies and.

  11. Strong interaction at finite temperature

    Indian Academy of Sciences (India)

    Abstract. We review two methods discussed in the literature to determine the effective parameters of strongly interacting particles as they move through a heat bath. The first one is the general method of chiral perturbation theory, which may be readily applied to this problem. The other is the method of thermal QCD sum rules ...

  12. Yukawa multipole electrostatics and nontrivial coupling between electrostatic and dispersion interactions in electrolytes

    International Nuclear Information System (INIS)

    Kjellander, Roland; Ramirez, Rosa

    2008-01-01

    An exact treatment of screened electrostatics in electrolyte solutions is presented. In electrolytes the anisotropy of the exponentially decaying electrostatic potential from a molecule extends to the far field region. The full directional dependence of the electrostatic potential from a charged or uncharged molecule remains in the longest range tail (i.e. from all multipole moments). In particular, the range of the potential from an ion and that from an electroneutral polar particle is generally exactly the same. This is in contrast to the case in vacuum or pure polar liquids, where the potential from a single charge is longer ranged than that from a dipole, which is, itself, longer ranged than the one from a quadrupole etc. The orientational dependence of the exponentially screened electrostatic interaction between two molecules in electrolytes is therefore rather complex even at long distances. These facts are formalized in Yukawa multipole expansions of the electrostatic potential and the pair interaction free energy based on the Yukawa function family exp(-κr)/r m , where r is the distance, κ is a decay parameter and m is a positive integer. The expansion is formally exact for electrolytes with molecular solvent and in the primitive model, provided the non-Coulombic interactions between the particles are sufficiently short ranged. The results can also be applied in the Poisson-Boltzmann approximation. Differences and similarities to the ordinary multipole expansion of electrostatics are pointed out. On the other hand, when the non-Coulombic interactions between the constituent particles of the electrolyte solution contain a dispersion 1/r 6 potential, the electrostatic potential from a molecule decays like a power law for long distances rather than as a Yukawa function. This is due to nontrivial coupling between the electrostatic and dispersion interactions. There remains an exponentially decaying component in the electrostatic potential, but it becomes

  13. Strongly Interacting Light Dark Matter

    Directory of Open Access Journals (Sweden)

    Sebastian Bruggisser, Francesco Riva, Alfredo Urbano

    2017-09-01

    Full Text Available In the presence of approximate global symmetries that forbid relevant interactions, strongly coupled light Dark Matter (DM can appear weakly coupled at small energy and generate a sizable relic abundance. Fundamental principles like unitarity restrict these symmetries to a small class, where the leading interactions are captured by effective operators up to dimension-8. Chiral symmetry, spontaneously broken global symmetries and non-linearly realized supersymmetry are examples of this. Their DM candidates (composite fermions, pseudo Nambu-Goldstone Bosons and Goldstini are interesting targets for LHC missing-energy searches.

  14. Strongly interacting light dark matter

    International Nuclear Information System (INIS)

    Bruggisser, Sebastian; Riva, Francesco; Urbano, Alfredo

    2016-07-01

    In the presence of approximate global symmetries that forbid relevant interactions, strongly coupled light Dark Matter (DM) can appear weakly coupled at small-energy and generate a sizable relic abundance. Fundamental principles like unitarity restrict these symmetries to a small class, where the leading interactions are captured by effective operators up to dimension-8. Chiral symmetry, spontaneously broken global symmetries and non-linearly realized supersymmetry are examples of this. Their DM candidates (composite fermions, pseudo-Nambu-Goldstone Bosons and Goldstini) are interesting targets for LHC missing-energy searches.

  15. Scalar strong interaction hadron theory

    CERN Document Server

    Hoh, Fang Chao

    2015-01-01

    The scalar strong interaction hadron theory, SSI, is a first principles' and nonlocal theory at quantum mechanical level that provides an alternative to low energy QCD and Higgs related part of the standard model. The quark-quark interaction is scalar rather than color-vectorial. A set of equations of motion for mesons and another set for baryons have been constructed. This book provides an account of the present state of a theory supposedly still at its early stage of development. This work will facilitate researchers interested in entering into this field and serve as a basis for possible future development of this theory.

  16. Effects of electrostatic interactions on electron transfer reactions

    International Nuclear Information System (INIS)

    Hickel, B.

    1987-01-01

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

  17. On the role of electrostatics on protein-protein interactions

    Science.gov (United States)

    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

  18. On the role of electrostatics in protein-protein interactions

    Science.gov (United States)

    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.

  19. Strongly interacting photons and atoms

    International Nuclear Information System (INIS)

    Alge, W.

    1999-05-01

    This thesis contains the main results of the research topics I have pursued during the my PhD studies at the University of Innsbruck and partly in collaboration with the Institut d' Optique in Orsay, France. It is divided into three parts. The first and largest part discusses the possibility of using strong standing waves as a tool to cool and trap neutral atoms in optical cavities. This is very important in the field of nonlinear optics where several successful experiments with cold atoms in cavities have been performed recently. A discussion of the optical parametric oscillator in a regime where the nonlinearity dominates the evolution is the topic of the second part. We investigated mainly the statistical properties of the cavity output of the three interactive cavity modes. Very recently a system has been proposed which promises fantastic properties. It should exhibit a giant Kerr nonlinearity with negligible absorption thus leading to a photonic turnstile device based on cold atoms in cavity. We have shown that this model suffers from overly simplistic assumptions and developed several more comprehensive approaches to study the behavior of this system. Apart from the division into three parts of different contents the thesis is divided into publications, supplements and invisible stuff. The intention of the supplements is to reach researchers which work in related areas and provide them with more detailed information about the concepts and the numerical tools we used. It is written especially for diploma and PhD students to give them a chance to use the third part of our work which is actually the largest one. They consist of a large number of computer programs we wrote to investigate the behavior of the systems in parameter regions where no hope exists to solve the equations analytically. (author)

  20. Emphasizing the Significance of Electrostatic Interactions in Chemical Bonding

    Science.gov (United States)

    Venkataraman, Bhawani

    2017-01-01

    This paper describes a pedagogical approach to help students understand chemical bonding by emphasizing the importance of electrostatic interactions between atoms. The approach draws on prior studies that have indicated many misconceptions among students in understanding the nature of the chemical bond and energetics associated with bond formation…

  1. Electrostatic potential profile and nonlinear current in an interacting ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. We consider an interacting one-dimensional molecular wire attached to two metal electrodes on either side of it. The electrostatic potential profile across the wire-electrode interface has been deduced solving the Schrodinger and Poisson equations self-consistently. Since the Poisson distribution crucially depends ...

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

    Science.gov (United States)

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

    2017-05-09

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

  3. Molecular electrostatics for probing lone pair-π interactions.

    Science.gov (United States)

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

    2013-11-14

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

  4. Vesicle fusion with bilayer lipid membrane controlled by electrostatic interaction

    Directory of Open Access Journals (Sweden)

    Azusa Oshima

    2017-09-01

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

  5. Effect of electrostatic interactions on electron-transfer reactions

    International Nuclear Information System (INIS)

    Hickel, B.

    1987-01-01

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

  6. Inductive and electrostatic acceleration in relativistic jet-plasma interactions.

    Science.gov (United States)

    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.

  7. Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts

    Directory of Open Access Journals (Sweden)

    Christian Holm

    2013-10-01

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

  8. Effective electrostatic interactions in colloid-nanoparticle mixtures

    Science.gov (United States)

    Denton, Alan R.

    2017-12-01

    Interparticle interactions and bulk properties of colloidal suspensions can be substantially modified by the addition of nanoparticles. Extreme asymmetries in size and charge between colloidal particles and nanoparticles present severe computational challenges to molecular-scale modeling of such complex systems. We present a statistical mechanical theory of effective electrostatic interactions that can greatly ease large-scale modeling of charged colloid-nanoparticle mixtures. By applying a sequential coarse-graining procedure, we show that a multicomponent mixture of charged colloids, nanoparticles, counterions, and coions can be mapped first onto a binary mixture of colloids and nanoparticles and then onto a one-component model of colloids alone. In a linear-response approximation, the one-component model is governed by a single effective pair potential and a one-body volume energy, whose parameters depend nontrivially on nanoparticle size, charge, and concentration. To test the theory, we perform molecular dynamics simulations of the two-component and one-component models and compute structural properties. For moderate electrostatic couplings, colloid-colloid radial distribution functions and static structure factors agree closely between the two models, validating the sequential coarse-graining approach. Nanoparticles of sufficient charge and concentration enhance screening of electrostatic interactions, weakening correlations between charged colloids and destabilizing suspensions, consistent with experiments.

  9. Remnants of strong tidal interactions

    International Nuclear Information System (INIS)

    Mcglynn, T.A.

    1990-01-01

    This paper examines the properties of stellar systems that have recently undergone a strong tidal shock, i.e., a shock which removes a significant fraction of the particles in the system, and where the shocked system has a much smaller mass than the producer of the tidal field. N-body calculations of King models shocked in a variety of ways are performed, and the consequences of the shocks are investigated. The results confirm the prediction of Jaffe for shocked systems. Several models are also run where the tidal forces on the system are constant, simulating a circular orbit around a primary, and the development of tidal radii under these static conditions appears to be a mild process which does not dramatically affect material that is not stripped. The tidal radii are about twice as large as classical formulas would predict. Remnant density profiles are compared with a sample of elliptical galaxies, and the implications of the results for the development of stellar populations and galaxies are considered. 38 refs

  10. Effects of electrostatic interactions on ligand dissociation kinetics

    Science.gov (United States)

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

    2018-02-01

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

  11. Electrostatic double-layer interaction between stacked charged bilayers

    Science.gov (United States)

    Hishida, Mafumi; Nomura, Yoko; Akiyama, Ryo; Yamamura, Yasuhisa; Saito, Kazuya

    2017-10-01

    The inapplicability of the DLVO theory to multilayered anionic bilayers is found in terms of the co-ion-valence dependence of the lamellar repeat distance. Most of the added salt is expelled from the interlamellar space to the bulk due to the Gibbs-Donnan effect on multiple bilayers with the bulk. The electrostatic double-layer interaction is well expressed by the formula recently proposed by Trefalt. The osmotic pressure due to the expelled ions, rather than the van der Waals interaction, is the main origin of the attractive force between the bilayers.

  12. Dispersion of Co/CNTs via strong electrostatic adsorption method: Thermal treatment effect

    Energy Technology Data Exchange (ETDEWEB)

    Akbarzadeh, Omid, E-mail: omid.akbarzadeh63@gmail.com; Abdullah, Bawadi, E-mail: bawadi-abdullah@petronas.com.my; Subbarao, Duvvuri, E-mail: duvvuri-subbarao@petronas.com.my [Department of Chemical Engineering, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak (Malaysia); Zabidi, Noor Asmawati Mohd, E-mail: noorasmawati-mzabidi@petronas.com.my [Department of Fundamental and Applied Sciences, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak (Malaysia)

    2015-07-22

    The effect of different thermal treatment temperature on the structure of multi-walled carbon nanotubes (MWCNTs) and Co particle dispersion on CNTs support is studied using Strong electrostatic adsorption (SEA) method. The samples tested by N{sub 2}-adsorption, field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). N{sub 2}-adsorption results showed BET surface area increased using thermal treatment and TEM images showed that increasing the thermal treatment temperature lead to flaky CNTs and defects introduced on the outer surface and Co particle dispersion increased.

  13. Algebra of strong and electroweak interactions

    International Nuclear Information System (INIS)

    Bolokhov, S.V.; Vladimirov, Yu.S.

    2004-01-01

    The algebraic approach to describing the electroweak and strong interactions is considered within the frames of the binary geometrophysics, based on the principles of the Fokker-Feynman direct interparticle interaction theories of the Kaluza-Klein multidimensional geometrical models and the physical structures theory. It is shown that in this approach the electroweak and strong elementary particles interaction through the intermediate vector bosons, are characterized by the subtypes of the algebraic classification of the complex 3 x 3-matrices [ru

  14. Transferability of polarizable models for ion-water electrostatic interaction

    International Nuclear Information System (INIS)

    Masia, Marco

    2009-01-01

    Studies of ion-water systems at condensed phase and at interfaces have pointed out that molecular and ionic polarization plays an important role for many phenomena ranging from hydrogen bond dynamics to water interfaces' structure. Classical and ab initio Molecular Dynamics simulations reveal that induced dipole moments at interfaces (e.g. air-water and water-protein) are usually high, hinting that polarizable models to be implemented in classical force fields should be very accurate in reproducing the electrostatic properties of the system. In this paper the electrostatic properties of three classical polarizable models for ion-water interaction are compared with ab initio results both at gas and condensed phase. For Li + - water and Cl - -water dimers the reproducibility of total dipole moments obtained with high level quantum chemical calculations is studied; for the same ions in liquid water, Car-Parrinello Molecular Dynamics simulations are used to compute the time evolution of ionic and molecular dipole moments, which are compared with the classical models. The PD2-H2O model developed by the author and coworkers [Masia et al. J. Chem. Phys. 2004, 121, 7362] together with the gaussian intermolecular damping for ion-water interaction [Masia et al. J. Chem. Phys. 2005, 123, 164505] showed to be the fittest in reproducing the ab initio results from gas to condensed phase, allowing for force field transferability.

  15. Cluster Crystals Stabilized by Hydrophobic and Electrostatic Interactions.

    Science.gov (United States)

    Baumketner, A; Stelmakh, A; Cai, W

    2018-03-08

    Cluster crystals are crystalline materials in which each site is occupied by multiple identical particles, atoms, colloids, or polymers. There are two classes of systems that make cluster crystals. One is composed of particles that interact via potentials that are bound at the origin and thus are able to penetrate each other. The other consists of non-interpenetrating particles whose interaction potential diverges at the origin. The goal of this work is to find which systems of the second class can make cluster crystals that are stable at room temperature. First, the general properties of the required potentials are established using an analytical model and Monte Carlo simulations. Next, we ask how such potentials can be constructed by combining hydrophobic attraction and electrostatic repulsion. A colloid model with a hard-sphere core and a repulsive wall is introduced to mimic the hydrophobic interaction. Charge is added to create long-range repulsion. A search in the parameter space of the colloid size, counterion type, and charge configuration uncovers several models for which effective colloid-colloid interaction, determined in explicit solvent as a potential of mean force, has the necessary shape. For the effective potential, cluster crystals are confirmed as low free-energy configurations in replica-exchange molecular dynamics simulations, which also generate the respective transition temperature. The model that exhibits a transition above room temperature is further studied in explicit solvent. Simulations on a 10 ns time scale show that crystalline conformations are stable below the target temperature but disintegrate rapidly above it, supporting the idea that hydrophobic and electrostatic interactions are sufficient to induce an assembly of cluster crystals. Finally, we discuss which physical systems are good candidates for experimental observations of cluster crystals.

  16. The Charm and Beauty of Strong Interactions

    Science.gov (United States)

    El-Bennich, Bruno

    2018-01-01

    We briefly review common features and overlapping issues in hadron and flavor physics focussing on continuum QCD approaches to heavy bound states, their mass spectrum and weak decay constants in different strong interaction models.

  17. Including virtual photons in strong interactions

    International Nuclear Information System (INIS)

    Rusetsky, A.

    2003-01-01

    In the perturbative field-theoretical models we investigate the inclusion of the electromagnetic interactions into the purely strong theory that describes hadronic processes. In particular, we study the convention for splitting electromagnetic and strong interactions and the ambiguity of such a splitting. The issue of the interpretation of the parameters of the low-energy effective field theory in the presence of electromagnetic interactions is addressed, as well as the scale and gauge dependence of the effective theory couplings. We hope, that the results of these studies are relevant for the electromagnetic sector of ChPT. (orig.)

  18. Phenomena of electrostatic perturbations before strong earthquakes (2005–2010 observed on DEMETER

    Directory of Open Access Journals (Sweden)

    X. Zhang

    2012-01-01

    Full Text Available During the DEMETER operating period in 2004–2010, many strong earthquakes took place in the world. 69 strong earthquakes with a magnitude above 7.0 during January 2005 to February 2010 were collected and analysed. The orbits, recorded in local nighttime by satellite, were chosen by a distance of 2000 km to the epicentres during the 9 days around these earthquakes, with 7 days before and 1 day after. The anomaly is defined when the disturbances in the electric field PSD increased to at least 1 order of magnitude relative to the normal median level about 10−2μV2/m2/Hz at 19.5–250 Hz frequency band, and the starting point of perturbations not exceeding 10° relsupative to the epicentral latitude. Among the 69 earthquakes, it is shown that electrostatic perturbations were detected at ULF-ultra low frequency and ELF-extremely low frequency band before the 32 earthquakes, nearly 46%. Furthermore, we extended the searching scale of these perturbations to the globe, and it can be found that before some earthquakes, the electrostatic anomalies were distributed in a much larger area a few days before, and then they concentrated to the closest orbit when the earthquake would happen one day or a few hours later, which reflects the spatial developing feature during the seismic preparation process. The results in this paper contribute to a better description of the electromagnetic (EM disturbances at an altitude of 660–710 km in the ionosphere that can help towards a further understanding of the lithosphere-atmosphere-ionosphere (LAI coupling mechanism.

  19. Interaction between two point-like charges in nonlinear electrostatics

    Science.gov (United States)

    Breev, A. I.; Shabad, A. E.

    2018-01-01

    We consider two point-like charges in electrostatic interaction within the framework of a nonlinear model, associated with QED, that provides finiteness of their field energy. We find the common field of the two charges in a dipole-like approximation, where the separation between them R is much smaller than the observation distance r : with the linear accuracy with respect to the ratio R / r, and in the opposite approximation, where R≫ r, up to the term quadratic in the ratio r / R. The consideration proposes the law a+b R^{1/3} for the energy, when the charges are close to one another, R→ 0. This leads to the singularity of the force between them to be R^{-2/3}, which is weaker than the Coulomb law, R^{-2}.

  20. A theory of the strong interactions

    International Nuclear Information System (INIS)

    Gross, D.J.

    1979-01-01

    The most promising candidate for a fundamental microscopic theory of the strong interactions is a gauge theory of colored quarks-Quantum Chromodynamics (QCD). There are many excellent reasons for believing in this theory. It embodies the broken symmetries, SU(3) and chiral SU(3)xSU(3), of the strong interactions and reflects the success of (albeit crude) quark models in explaining the spectrum of the observed hadrons. The hidden quantum number of color, necessary to account for the quantum numbers of the low lying hadrons, plays a fundamental role in this theory as the SU(3) color gauge vector 'gluons' are the mediators of the strong interactions. The absence of physical quark states can be 'explained' by the hypothesis of color confinement i.e. that hadrons are permanently bound in color singlet bound states. Finally this theory is unique in being asymptotically free, thus accounting for the almost free field theory behvior of quarks observed at short distances. (Auth.)

  1. Electroweak and Strong Interactions Phenomenology, Concepts, Models

    CERN Document Server

    Scheck, Florian

    2012-01-01

    Electroweak and Strong Interaction: Phenomenology, Concepts, Models, begins with relativistic quantum mechanics and some quantum field theory which lay the foundation for the rest of the text. The phenomenology and the physics of the fundamental interactions are emphasized through a detailed discussion of the empirical fundamentals of unified theories of strong, electromagnetic, and weak interactions. The principles of local gauge theories are described both in a heuristic and a geometric framework. The minimal standard model of the fundamental interactions is developed in detail and characteristic applications are worked out. Possible signals of physics beyond that model, notably in the physics of neutrinos are also discussed. Among the applications scattering on nucleons and on nuclei provide salient examples. Numerous exercises with solutions make the text suitable for advanced courses or individual study. This completely updated revised new edition contains an enlarged chapter on quantum chromodynamics an...

  2. Loop electrostatics modulates the intersubunit interactions in ferritin.

    Science.gov (United States)

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

    2014-11-21

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

  3. Vector mesons in strongly interacting matter

    Indian Academy of Sciences (India)

    probes like photons, pions or protons or the heated and compressed hadronic matter generated in a heavy-ion collision. Leaving any nuclear medium without strong final-state interactions, dileptons are the optimum decay channel as they avoid any final-state distortion of the 4- momenta of the decay products entering eq.

  4. Vector mesons in strongly interacting matter

    Indian Academy of Sciences (India)

    Properties of hadrons in strongly interacting matter provide a link between quantum chromodynamics in the ... Top: Spectral function of the ρ-meson at normal nuclear matter density as a function of mass and ... directly but folded with the branching ratio ΓV →p1+p2 /Γtot into the specific final channel one is investigating.

  5. Intermolecular Interactions and Electrostatic Properties of the [beta]-Hydroquinone Apohost: Implications for Supramolecular Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Clausen, Henrik F.; Chen, Yu-Sheng; Jayatilaka, Dylan; Overgaard, Jacob; Koutsantonis, George A.; Spackman, Mark A.; Iversen, Bo B. (Aarhus); (UWA); (UC)

    2012-02-07

    The crystal structure of the {beta}-polymorph of hydroquinone ({beta}-HQ), the apohost of a large family of clathrates, is reported with a specific focus on intermolecular interactions and the electrostatic nature of its cavity. Hirshfeld surface analysis reveals subtle close contacts between two interconnecting HQ networks, and the local packing and related close contacts were examined by breakdown of the fingerprint plot. An experimental multipole model containing anisotropic thermal parameters for hydrogen atoms has been successfully refined against 15(2) K single microcrystal synchrotron X-ray diffraction data. The experimental electron density model has been compared with a theoretical electron density calculated with the molecule embedded in its own crystal field. Hirshfeld charges, interaction energies and the electrostatic potential calculated for both models are qualitatively in good agreement, but small differences in the electrostatic potential persist due to charge transfer from all hydrogen atoms to the oxygen atoms in the theoretical model. The electrostatic potential in the center of the cavity is positive, very shallow and highly symmetric, suggesting that the inclusion of polar molecules in the void will involve a balance between opposing effects. The electric field is by symmetry zero in the center of the cavity, increasing to a value of 0.0185 e/{angstrom}{sup 2} (0.27 V/{angstrom}) 1 {angstrom} along the 3-fold axis and 0.0105 e/{angstrom}{sup 2} (0.15 V/{angstrom}) 1 {angstrom} along the perpendicular direction. While these values are substantial in a macroscopic context, they are quite small for a molecular cavity and are not expected to strongly polarize a guest molecule.

  6. Strong interaction studies with kaonic atoms

    Directory of Open Access Journals (Sweden)

    Marton J.

    2016-01-01

    Full Text Available The strong interaction of antikaons (K− with nucleons and nuclei in the low-energy regime represents an active research field connected intrinsically with few-body physics. There are important open questions like the question of antikaon nuclear bound states - the prototype system being K−pp. A unique and rather direct experimental access to the antikaon-nucleon scattering lengths is provided by precision X-ray spectroscopy of transitions in low-lying states of light kaonic atoms like kaonic hydrogen isotopes. In the SIDDHARTA experiment at the electron-positron collider DAΦNE of LNF-INFN we measured the most precise values of the strong interaction observables, i.e. the strong interaction on the 1s ground state of the electromagnetically bound K−p atom leading to a hadronic shift ϵ1s and a hadronic broadening Γ1s of the 1s state. The SIDDHARTA result triggered new theoretical work which achieved major progress in the understanding of the low-energy strong interaction with strangeness. Antikaon-nucleon scattering lengths have been calculated constrained by the SIDDHARTA data on kaonic hydrogen. For the extraction of the isospin-dependent scattering lengths a measurement of the hadronic shift and width of kaonic deuterium is necessary. Therefore, new X-ray studies with the focus on kaonic deuterium are in preparation (SIDDHARTA2. Many improvements in the experimental setup will allow to measure kaonic deuterium which is challenging due to the anticipated low X-ray yield. Especially important are the data on the X-ray yields of kaonic deuterium extracted from a exploratory experiment within SIDDHARTA.

  7. Electrostatic interactions drive native-like aggregation of human alanine:glyoxylate aminostransferase.

    Science.gov (United States)

    Dindo, Mirco; Conter, Carolina; Cellini, Barbara

    2017-11-01

    Protein aggregate formation is the basis of several misfolding diseases, including those displaying loss-of-function pathogenesis. Although aggregation is often attributed to the population of intermediates exposing hydrophobic surfaces, the contribution of electrostatic forces has recently gained attention. Here, we combined computational and in vitro studies to investigate the aggregation process of human peroxisomal alanine:glyoxylate aminotransferase (AGT), a pyridoxal 5'-phosphate (PLP)-dependent enzyme involved in glyoxylate detoxification. We demonstrated that AGT is susceptible to electrostatic aggregation due to its peculiar surface charge anisotropy and that PLP binding counteracts the self-association process. The two polymorphic mutations P11L and I340M exert opposite effects. The P11L substitution enhances the aggregation tendency, probably by increasing surface charge anisotropy, while I340M plays a stabilizing role. In light of these results, we examined the effects of the most common missense mutations leading to primary hyperoxaluria type I (PH1), a rare genetic disorder associated with abnormal calcium oxalate precipitation in the urinary tract. All of them endow AGT with a strong electrostatic aggregation propensity. Moreover, we predicted that pathogenic mutations of surface residues could alter charge distribution, thus inducing aggregation under physiological conditions. A global model describing the AGT aggregation process is provided. Overall, the results indicate that the contribution of electrostatic interactions in determining the fate of proteins and the effect of amino acid substitutions should not be underestimated and provide the basis for the development of new therapeutic strategies for PH1 aimed at increasing AGT stability. © 2017 Federation of European Biochemical Societies.

  8. Fundamental Structure of Matter and Strong Interaction

    Energy Technology Data Exchange (ETDEWEB)

    Jian-Ping Chen

    2011-11-01

    More than 99% of the visible matter in the universe are the protons and neutrons. Their internal structure is mostly governed by the strong interaction. Understanding their internal structure in terms of fundamental degrees-of-freedom is one of the most important subjects in modern physics. Worldwide efforts in the last few decades have lead to numerous surprises and discoveries, but major challenges still remain. An overview of the progress will be presented with a focus on the recent studies of the proton and neutron's electromagnetic and spin structure. Future perspectives will be discussed.

  9. Strong Interaction Studies with PANDA at FAIR

    International Nuclear Information System (INIS)

    Schönning, Karin

    2016-01-01

    The Facility for Antiproton and Ion Research (FAIR) in Darmstadt, Germany, provides unique possibilities for a new generation of nuclear-, hadron- and atomic physics experiments. The future PANDA experiment at FAIR will offer a broad physics programme with emphasis on different aspects of hadron physics. Understanding the strong interaction in the perturbative regime remains one of the greatest challenges in contemporary physics and hadrons provide several important keys. In these proceedings, PANDA will be presented along with some high-lights of the planned physics programme

  10. Strong Interactions Physics at BaBar

    Energy Technology Data Exchange (ETDEWEB)

    Pioppi, M.

    2005-03-14

    Recent results obtained by BABAR experiment and related to strong interactions physics are presented, with particular attention to the extraction of the first four hadronic-mass moments and the first three lepton-energy moments in semileptonic decays. From a simultaneous fit to the moments, the CKM element |V{sub cb}|, the inclusive B {yields} X{sub c}lv and other heavy quark parameters are derived. The second topic is the ambiguity-free measurement of cos(2{beta}) in B {yields} J/{Psi}K* decays. With approximately 88 million of B{bar B} pairs, negative solutions for cos(2{beta}) are excluded at 89%.

  11. Strong Interaction Studies with PANDA at FAIR

    Science.gov (United States)

    Schönning, Karin

    2016-10-01

    The Facility for Antiproton and Ion Research (FAIR) in Darmstadt, Germany, provides unique possibilities for a new generation of nuclear-, hadron- and atomic physics experiments. The future PANDA experiment at FAIR will offer a broad physics programme with emphasis on different aspects of hadron physics. Understanding the strong interaction in the perturbative regime remains one of the greatest challenges in contemporary physics and hadrons provide several important keys. In these proceedings, PANDA will be presented along with some high-lights of the planned physics programme.

  12. Electrostatic interactions in catalytic centers of F1-ATPase

    Science.gov (United States)

    Pogrebnaya, Alexandra F.; Romanovsky, Yury M.; Tikhonov, Alexander N.

    2003-10-01

    F1-ATPase is one of the most important enzymes of membrane bioenergetics. F1-ATPase is the constituent complex that provides the ATP formation from ADP and inorganic phosphate (Pi) at the expense of energy of electrochemical gradient of hydrogen ions generated across the energy transducing mitochondrial, chloroplast or bacterial membrane. F1-ATPase is a reversible molecular machine that can work as a proton pump due to energy released in the course of ATP hydrolysis (ATPase reaction). The unusual feature of this enzyme is that it operates as a rotary molecular motor. Recently, using the fluorescence microscopy method for the real time visualization of molecular mobility of individual molecules, it was demonstrated directly that the ATP hydrolysis by F1-ATPase is accompanied by unidirectional rotations of mobile subunits (rotor) of F1F0-ATP synthase. In this work, we calculated the contribution of electrostatic interactions between charged groups of a substrate (MgATP), products molecules (MgADP and Pi), and charged amino acid residuals of ATPase molecule to the energy changes associated with the substrate binding and their chemical transformations in the catalytic centers located at the interface of α and β subunits of the enzyme (oligomer complex α3β3γ of bovine mitochondria ATPase). A catalytic cycle of ATP hydrolysis considered in our work includes conformational changes of α and β subunits caused by unidirectional rotations of an eccentric γ subunit. The knowledge of energy characteristics and force field in catalytic center of an enzyme in different conformational states may be important for further simulation dynamic properties of ATP synthase complex.

  13. Roles of electrostatics and conformation in protein-crystal interactions.

    Directory of Open Access Journals (Sweden)

    Paul V Azzopardi

    2010-02-01

    Full Text Available In vitro studies have shown that the phosphoprotein osteopontin (OPN inhibits the nucleation and growth of hydroxyapatite (HA and other biominerals. In vivo, OPN is believed to prevent the calcification of soft tissues. However, the nature of the interaction between OPN and HA is not understood. In the computational part of the present study, we used molecular dynamics simulations to predict the adsorption of 19 peptides, each 16 amino acids long and collectively covering the entire sequence of OPN, to the {100} face of HA. This analysis showed that there is an inverse relationship between predicted strength of adsorption and peptide isoelectric point (P<0.0001. Analysis of the OPN sequence by PONDR (Predictor of Naturally Disordered Regions indicated that OPN sequences predicted to adsorb well to HA are highly disordered. In the experimental part of the study, we synthesized phosphorylated and non-phosphorylated peptides corresponding to OPN sequences 65-80 (pSHDHMDDDDDDDDDGD and 220-235 (pSHEpSTEQSDAIDpSAEK. In agreement with the PONDR analysis, these were shown by circular dichroism spectroscopy to be largely disordered. A constant-composition/seeded growth assay was used to assess the HA-inhibiting potencies of the synthetic peptides. The phosphorylated versions of OPN65-80 (IC(50 = 1.93 microg/ml and OPN220-235 (IC(50 = 1.48 microg/ml are potent inhibitors of HA growth, as is the nonphosphorylated version of OPN65-80 (IC(50 = 2.97 microg/ml; the nonphosphorylated version of OPN220-235 has no measurable inhibitory activity. These findings suggest that the adsorption of acidic proteins to Ca2+-rich crystal faces of biominerals is governed by electrostatics and is facilitated by conformational flexibility of the polypeptide chain.

  14. Strong Interactive Massive Particles from a Strong Coupled Theory

    DEFF Research Database (Denmark)

    Yu. Khlopov, Maxim; Kouvaris, Christoforos

    2008-01-01

    (-2). These excessive techniparticles are all captured by $^4He$, creating \\emph{techni-O-helium} $tOHe$ ``atoms'', as soon as $^4He$ is formed in Big Bang Nucleosynthesis. The interaction of techni-O-helium with nuclei opens new paths to the creation of heavy nuclei in Big Bang Nucleosynthesis. Due...

  15. Finite temperature system of strongly interacting baryons

    Energy Technology Data Exchange (ETDEWEB)

    Bowers, R.L.; Gleeson, A.M.; Pedigo, R.D.; Wheeler, J.W.

    1976-07-01

    A fully relativistic finite temperature many body theory is constructed and used to examine the bulk properties of a system of strongly interacting baryons. The strong interactions are described by a two parameter phenomenological model fit to a simple description of nuclear matter at T = 0. The zero temperature equation of state for such a system which has already been discussed in the literature was developed to give a realistic description of nuclear matter. The model presented here is the exact finite temperature extension of that model. The effect of the inclusion of baryon pairs for T greater than or equal to 2mc/sup 2//k is discussed in detail. The phase transition identified with nuclear matter vanishes for system temperatures in excess of T/sub C/ = 1.034 x 10/sup 11/ /sup 0/K. All values of epsilon (P,T) correspond to systems that are causal in the sense that the locally determined speed of sound never exceeds the speed of light.

  16. Finite temperature system of strongly interacting baryons

    International Nuclear Information System (INIS)

    Bowers, R.L.; Gleeson, A.M.; Pedigo, R.D.; Wheeler, J.W.

    1976-07-01

    A fully relativistic finite temperature many body theory is constructed and used to examine the bulk properties of a system of strongly interacting baryons. The strong interactions are described by a two parameter phenomenological model fit to a simple description of nuclear matter at T = 0. The zero temperature equation of state for such a system which has already been discussed in the literature was developed to give a realistic description of nuclear matter. The model presented here is the exact finite temperature extension of that model. The effect of the inclusion of baryon pairs for T greater than or equal to 2mc 2 /k is discussed in detail. The phase transition identified with nuclear matter vanishes for system temperatures in excess of T/sub C/ = 1.034 x 10 11 0 K. All values of epsilon (P,T) correspond to systems that are causal in the sense that the locally determined speed of sound never exceeds the speed of light

  17. Convex Modeling of Interactions with Strong Heredity.

    Science.gov (United States)

    Haris, Asad; Witten, Daniela; Simon, Noah

    2016-01-01

    We consider the task of fitting a regression model involving interactions among a potentially large set of covariates, in which we wish to enforce strong heredity. We propose FAMILY, a very general framework for this task. Our proposal is a generalization of several existing methods, such as VANISH [Radchenko and James, 2010], hierNet [Bien et al., 2013], the all-pairs lasso, and the lasso using only main effects. It can be formulated as the solution to a convex optimization problem, which we solve using an efficient alternating directions method of multipliers (ADMM) algorithm. This algorithm has guaranteed convergence to the global optimum, can be easily specialized to any convex penalty function of interest, and allows for a straightforward extension to the setting of generalized linear models. We derive an unbiased estimator of the degrees of freedom of FAMILY, and explore its performance in a simulation study and on an HIV sequence data set.

  18. Strongly Interacting Matter at High Energy Density

    International Nuclear Information System (INIS)

    McLerran, L.

    2008-01-01

    This lecture concerns the properties of strongly interacting matter (which is described by Quantum Chromodynamics) at very high energy density. I review the properties of matter at high temperature, discussing the deconfinement phase transition. At high baryon density and low temperature, large N c arguments are developed which suggest that high baryonic density matter is a third form of matter, Quarkyonic Matter, that is distinct from confined hadronic matter and deconfined matter. I finally discuss the Color Glass Condensate which controls the high energy limit of QCD, and forms the low x part of a hadron wavefunction. The Glasma is introduced as matter formed by the Color Glass Condensate which eventually thermalizes into a Quark Gluon Plasma

  19. On the importance of aqueous diffusion and electrostatic interactions in advection-dominated transport in saturated porous media

    DEFF Research Database (Denmark)

    Rolle, Massimo

    2015-01-01

    to multicomponent ionic dispersion: the dispersive fluxes of the different ions are cross-coupled due to the effects of Coulombic interactions. Such effects are illustrated in flow-through experiments in saturated porous media. Simple strong electrolytes were selected as tracers and their transport was studied...... advection-dominated flow through conditions. When the solutes are charged species, besides the magnitude of their aqueous diffusion coefficients also their electrostatic interactions play a significant role in the displacement of the different species. Under flow-through conditions this leads......-coupling of dispersive fluxes due to the Coulombic interactions between the charged species....

  20. Toward a Strongly Interacting Scalar Higgs Particle

    International Nuclear Information System (INIS)

    Shalaby, Abouzeid M.; El-Houssieny, M.

    2008-01-01

    We calculate the vacuum energy of the non-Hermitian and PT symmetric (-gφ 4 ) 2+1 scalar field theory. Rather than the corresponding Hermitian theory and due to the asymptotic freedom property of the theory, the vacuum energy does not blow up for large energy scales which is a good sign to solve the hierarchy problem when using this model to break the U(1)xSU(2) symmetry in the standard model. The theory is strongly interacting and in fact, all the dimensionful parameters in the theory like mass and energy are finite even for very high energy scales. Moreover, relative to the vacuum energy for the Hermitian φ 4 theory, the vacuum energy of the non-Hermitian and PT symmetric (-gφ 4 ) 2+1 theory is tiny, which is a good sign toward the solution of the cosmological constant problem. Remarkably, these features of the non-Hermitian and PT symmetric (-gφ 4 ) 2+1 scalar field theory make it very plausible to be employed as a Higgs mechanism in the standard model instead of the problematic Hermitian Higgs mechanism

  1. Peptide-microgel interactions in the strong coupling regime.

    Science.gov (United States)

    Hansson, Per; Bysell, Helena; Månsson, Ronja; Malmsten, Martin

    2012-09-06

    The interaction between lightly cross-linked poly(acrylic acid) microgels and oppositely charged peptides was investigated as a function of peptide length, charge density, pH, and salt concentration, with emphasis on the strong coupling regime at high charge contrast. By micromanipulator-assisted light microscopy, the equilibrium volume response of single microgel particles upon oligolysine and oligo(lysine/alanine) absorption could be monitored in a controlled fashion. Results show that microgel deswelling, caused by peptide binding and network neutralization, increases with peptide length (3 attraction between the network chains is described using an exponential force law, and the network elasticity by the inverse Langevin theory. The model was used to calculate the composition of microgels in contact with reservoir solutions of peptides and simple electrolytes. At high electrostatic coupling, the calculated swelling curves were found to display first-order phase transition behavior. The model was demonstrated to capture pH- and electrolyte-dependent microgel swelling, as well as effects of peptide length and charge density on microgel deswelling. The analysis demonstrated that the peptide charge (length), rather than the peptide charge density, determines microgel deswelling. Furthermore, a transition between continuous and discrete network collapse was identified, consistent with experimental results in the present investigations, as well as with results from the literature on microgel deswelling caused by multivalent cations.

  2. Pitch-angle diffusion coefficients from resonant interactions with electrostatic electron cyclotron harmonic waves in planetary magnetospheres

    Directory of Open Access Journals (Sweden)

    A. K. Tripathi

    2011-02-01

    Full Text Available Pitch-angle diffusion coefficients have been calculated for resonant interaction with electrostatic electron cyclotron harmonic (ECH waves in the magnetospheres of Earth, Jupiter, Saturn, Uranus and Neptune. Calculations have been performed at two radial distances of each planet. It is found that observed wave electric field amplitudes in the magnetospheres of Earth and Jupiter are sufficient to put electrons on strong diffusion in the energy range of less than 100 eV. However, for Saturn, Uranus and Neptune, the observed ECH wave amplitude are insufficient to put electrons on strong diffusion at any radial distance.

  3. De Sitter vacua of strongly interacting QFT

    Energy Technology Data Exchange (ETDEWEB)

    Buchel, Alex [Department of Applied Mathematics, University of Western Ontario,London, Ontario N6A 5B7 (Canada); Department of Physics and Astronomy, University of Western Ontario,London, Ontario N6A 5B7 (Canada); Perimeter Institute for Theoretical Physics,Waterloo, Ontario N2J 2W9 (Canada); Karapetyan, Aleksandr [Department of Applied Mathematics, University of Western Ontario,London, Ontario N6A 5B7 (Canada)

    2017-03-22

    We use holographic correspondence to argue that Euclidean (Bunch-Davies) vacuum is a late-time attractor of the dynamical evolution of quantum gauge theories at strong coupling. The Bunch-Davies vacuum is not an adiabatic state, if the gauge theory is non-conformal — the comoving entropy production rate is nonzero. Using the N=2{sup ∗} gauge theory holography, we explore prospects of explaining current accelerated expansion of the Universe as due to the vacuum energy of a strongly coupled QFT.

  4. Relativistic rapprochement of electromagnetic and strong interactions

    International Nuclear Information System (INIS)

    Strel'tsov, V.N.

    1995-01-01

    On the basis of the Lienard-Wiechert potential and the relativistic Yukawa potential it is shown that the corresponding interactions with velocity growth increase differently (the electromagnetic one increases faster). According to preliminary estimations they are equivalent, at distances of the 'action radius' of nuclear forces, at γ≅ 960, where γ is the Lorentz factor. 2 refs

  5. "Strong interaction" for particle physics laboratories

    CERN Multimedia

    2003-01-01

    A new Web site pooling the communications resources of particle physics centres all over the world has just been launched. The official launching of the new particle physics website Interactions.org during the Lepton-Proton 2003 Conference at the American laboratory Fermilab was accompanied by music and a flurry of balloons. On the initiative of Fermilab, the site was created by a collaboration of communication teams from over fifteen of the world's particle physics laboratories, including KEK, SLAC, INFN, JINR and, of course, CERN, who pooled their efforts to develop the new tool. The spectacular launching of the new particle physics website Interactions.org at Fermilab on 12 August 2003. A real gateway to particle physics, the site not only contains all the latest news from the laboratories but also offers images, graphics and a video/animation link. In addition, it provides information about scientific policies, links to the universities, a very useful detailed glossary of particle physics and astrophysic...

  6. On condensation driven by electrostatic interactions in macroionic solutions

    International Nuclear Information System (INIS)

    Badirkhan, Z.; Tosi, M.P.

    1989-04-01

    Liquid-vapour phase separation, as it normally follows from attractive interactions, is demonstrated under pure Coulomb interactions for the primitive model of macroionic solutions in the mean spherical approximation and related to observations on dilute solutions of highly charged latex particles. It is stressed that the corresponding effective pair potential between macro-ions is of the DLVO repulsive type. (author). 14 refs, 2 figs

  7. Electrostatic interactions in protein adsorption probed by comparing lysozyme and succinylated lysozyme

    NARCIS (Netherlands)

    Veen, van der M.; Norde, W.; Cohen Stuart, M.A.

    2004-01-01

    The influence of electrostatic interactions on protein adsorption was studied by comparing the adsorption of lysozyme and succinylated lysozyme at silica surfaces. The succinylation affects the charge of the protein, but also the stability. Although changes in stability can have an influence on

  8. Supersymmetry and weak, electromagnetic and strong interactions

    International Nuclear Information System (INIS)

    Fayet, P.

    1977-01-01

    A supersymmetric theory of particle interactions is discussed. It is based on the earlier model which involves gauge (or vector) superfields, and matter (or chiral) superfields; each of them describes a vector and a Majorana spinor in the first case, or a two-component Dirac spinor and a complex scalar in the second case. The new theory suggests the possible existence of spin - 1/2 gluons and heavy spin-0 quarks, besides spin - 1 gluons and spin - 1/2 quarks. To prevent scalar particles to be exchanged in processes such as μ or β decays a new class of leptons with its own quantum number is introduced; it includes charged leptons and a ''photonic neutrino''

  9. QCD : the theory of strong interactions Conference MT17

    CERN Multimedia

    2001-01-01

    The theory of strong interactions,Quantum Chromodynamics (QCD), predicts that the strong interaction is transmitted by the exchange of particles called gluons. Unlike the messengers of electromagnetism photons, which are electrically neutral - gluons carry a strong charge associated with the interaction they mediate. QCD predicts that the strength of the interaction between quarks and gluons becomes weaker at higher energies. LEP has measured the evolution of the strong coupling constant up to energies of 200 GeV and has confirmed this prediction.

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

    Science.gov (United States)

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

    2017-07-01

    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 a previous approach [M. A. Vorotyntsev and A. A. Kornyshev, Zh. Eksp. Teor. Fiz., 1980, 78(3), 1008-1019] 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 allows for an estimation of the interfacial properties in more complex situations of a disordered ionic liquid close to a metal surface. The counter-intuitive outcome is that electronic screening, as characterized by a molecular Thomas-Fermi length l TF , 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.

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

    Science.gov (United States)

    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

  12. Influence of the Electrostatic Interaction between a Molecular Catalyst and Semiconductor on Photocatalytic Hydrogen Evolution Activity in Cobaloxime/CdS Hybrid Systems.

    Science.gov (United States)

    Xu, Yuxing; Chen, Ruotian; Li, Zhen; Li, Ailong; Han, Hongxian; Li, Can

    2017-07-12

    The influence of the electrostatic interaction on photocatalytic H 2 evolution activity in cobaloxime/cadmium sulfide (CdS) hybrid systems was studied by measuring the charges of the cobaloximes and the zeta potentials of CdS under different pH conditions (pHs 4-7). Cobaloxime/CdS hybrid systems may have potential as a valid model for the investigation of the electrostatic interaction between a molecular catalyst and semiconductor because the kinetics of methanol oxidation and the driving force of electron transfer from photoirradiated CdS to cobaloxime have little effect on the pH-dependent photocatalytic H 2 evolution activity. Our experimental results suggest that electrostatic repulsion between cobaloxime and CdS disfavors the electron transfer from CdS to cobaloxime and hence lowers the photocatalytic H 2 evolution activity. Whereas, electrostatic attraction favors the electron transfer process and enhances the photocatalytic H 2 evolution activity. However, an electrostatic attraction interaction that is too strong may accelerate both forward and backward electron transfer processes, which would reduce charge separation efficiency and lower photocatalytic H 2 evolution activity.

  13. Distinguishing magnetic and electrostatic interactions by a Kelvin probe force microscopy-magnetic force microscopy combination.

    Science.gov (United States)

    Jaafar, Miriam; Iglesias-Freire, Oscar; Serrano-Ramón, Luis; Ibarra, Manuel Ricardo; de Teresa, Jose Maria; Asenjo, Agustina

    2011-01-01

    The most outstanding feature of scanning force microscopy (SFM) is its capability to detect various different short and long range interactions. In particular, magnetic force microscopy (MFM) is used to characterize the domain configuration in ferromagnetic materials such as thin films grown by physical techniques or ferromagnetic nanostructures. It is a usual procedure to separate the topography and the magnetic signal by scanning at a lift distance of 25-50 nm such that the long range tip-sample interactions dominate. Nowadays, MFM is becoming a valuable technique to detect weak magnetic fields arising from low dimensional complex systems such as organic nanomagnets, superparamagnetic nanoparticles, carbon-based materials, etc. In all these cases, the magnetic nanocomponents and the substrate supporting them present quite different electronic behavior, i.e., they exhibit large surface potential differences causing heterogeneous electrostatic interaction between the tip and the sample that could be interpreted as a magnetic interaction. To distinguish clearly the origin of the tip-sample forces we propose to use a combination of Kelvin probe force microscopy (KPFM) and MFM. The KPFM technique allows us to compensate in real time the electrostatic forces between the tip and the sample by minimizing the electrostatic contribution to the frequency shift signal. This is a great challenge in samples with low magnetic moment. In this work we studied an array of Co nanostructures that exhibit high electrostatic interaction with the MFM tip. Thanks to the use of the KPFM/MFM system we were able to separate the electric and magnetic interactions between the tip and the sample.

  14. Distinguishing magnetic and electrostatic interactions by a Kelvin probe force microscopy–magnetic force microscopy combination

    Directory of Open Access Journals (Sweden)

    Miriam Jaafar

    2011-09-01

    Full Text Available The most outstanding feature of scanning force microscopy (SFM is its capability to detect various different short and long range interactions. In particular, magnetic force microscopy (MFM is used to characterize the domain configuration in ferromagnetic materials such as thin films grown by physical techniques or ferromagnetic nanostructures. It is a usual procedure to separate the topography and the magnetic signal by scanning at a lift distance of 25–50 nm such that the long range tip–sample interactions dominate. Nowadays, MFM is becoming a valuable technique to detect weak magnetic fields arising from low dimensional complex systems such as organic nanomagnets, superparamagnetic nanoparticles, carbon-based materials, etc. In all these cases, the magnetic nanocomponents and the substrate supporting them present quite different electronic behavior, i.e., they exhibit large surface potential differences causing heterogeneous electrostatic interaction between the tip and the sample that could be interpreted as a magnetic interaction. To distinguish clearly the origin of the tip–sample forces we propose to use a combination of Kelvin probe force microscopy (KPFM and MFM. The KPFM technique allows us to compensate in real time the electrostatic forces between the tip and the sample by minimizing the electrostatic contribution to the frequency shift signal. This is a great challenge in samples with low magnetic moment. In this work we studied an array of Co nanostructures that exhibit high electrostatic interaction with the MFM tip. Thanks to the use of the KPFM/MFM system we were able to separate the electric and magnetic interactions between the tip and the sample.

  15. The role of electrostatic interactions in protease surface diffusion and the consequence for interfacial biocatalysis.

    Science.gov (United States)

    Feller, Bob E; Kellis, James T; Cascão-Pereira, Luis G; Robertson, Channing R; Frank, Curtis W

    2010-12-21

    This study examines the influence of electrostatic interactions on enzyme surface diffusion and the contribution of diffusion to interfacial biocatalysis. Surface diffusion, adsorption, and reaction were investigated on an immobilized bovine serum albumin (BSA) multilayer substrate over a range of solution ionic strength values. Interfacial charge of the enzyme and substrate surface was maintained by performing the measurements at a fixed pH; therefore, electrostatic interactions were manipulated by changing the ionic strength. The interfacial processes were investigated using a combination of techniques: fluorescence recovery after photobleaching, surface plasmon resonance, and surface plasmon fluorescence spectroscopy. We used an enzyme charge ladder with a net charge ranging from -2 to +4 with respect to the parent to systematically probe the contribution of electrostatics in interfacial enzyme biocatalysis on a charged substrate. The correlation between reaction rate and adsorption was determined for each charge variant within the ladder, each of which displayed a maximum rate at an intermediate surface concentration. Both the maximum reaction rate and adsorption value at which this maximum rate occurs increased in magnitude for the more positive variants. In addition, the specific enzyme activity increased as the level of adsorption decreased, and for the lowest adsorption values, the specific enzyme activity was enhanced compared to the trend at higher surface concentrations. At a fixed level of adsorption, the specific enzyme activity increased with positive enzyme charge; however, this effect offers diminishing returns as the enzyme becomes more highly charged. We examined the effect of electrostatic interactions on surface diffusion. As the binding affinity was reduced by increasing the solution ionic strength, thus weakening electrostatic interaction, the rate of surface diffusion increased considerably. The enhancement in specific activity achieved at

  16. Steric and electrostatic interactions govern nanofiltration of amino acids.

    Science.gov (United States)

    Shim, Yongki; Chellam, Shankararaman

    2007-10-01

    Crossflow nanofiltration experiments were performed to investigate the factors influencing the removal of amino acids by a commercially available polymeric thin-film composite membrane. The removals of five monoprotic (Ala, Val, Leu, Gly, and Thr), one diprotic (Asp), and one dibasic (Arg) amino acids in a range of permeate fluxes, feed pH values, and ionic strengths were analyzed using a phenomenological model of membrane transport. At any given pH and ionic strength, reflection coefficients (rejection at asymptotically infinite flux) of monoprotic amino acids increased with molar radius demonstrating the role of steric interactions on their removal. Additionally, consistent with Donnan exclusion, higher reflection coefficients were obtained when the membrane and the amino acids both carried the same nature of charge (positive or negative). In other words, both co-ion repulsion and molecular size determined amino acids removal. Importantly, the removal of effectively neutral amino acids were significantly higher than neutral sugars and alcohols of similar size demonstrating that even near their isoelectric point, zwitterionic characteristics preclude them from being considered as strictly neutral. (c) 2007 Wiley Periodicals, Inc.

  17. QCD : the theory of strong interactions Exhibition LEPFest 2000

    CERN Multimedia

    2000-01-01

    The theory of strong interactions,Quantum Chromodynamics (QCD),predicts that the strong interac- tion is transmitted by the exchange of particles called glu- ons.Unlike the messengers of electromagnetism -pho- tons,which are electrically neutral -gluons carry a strong charge associated with the interaction they mediate. QCD predicts that the strength of the interaction between quarks and gluons becomes weaker at higher energies.LEP has measured the evolution of the strong coupling constant up to energies of 200 GeV and has confirmed this prediction.

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

    Science.gov (United States)

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

    2014-07-07

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

  19. Interaction of particles with complex electrostatic structures and 3D clusters

    Energy Technology Data Exchange (ETDEWEB)

    Antonova, Tetyana

    2007-10-16

    Particles of micrometer size externally introduced in plasmas usually find their positions of levitation in the plasma sheath, where the gravity force is compensated by the strong electric field. Here due to electrostatic interaction they form different structures, which are interesting objects for the investigation of strongly coupled systems and critical phenomena. Because of the low damping (e.g. in comparison to colloidal suspension) it is possible to measure the dynamics up to the relevant highest frequency (e.g. Einstein frequency) at the most elementary level of single particle motion. The task of this work was to analyze the three dimensional structure, dynamical processes and the limit of the cooperative behavior in small plasma crystals. In addition to the study of the systems formed, the immersed particles themselves may be used for diagnostics of the plasma environment: estimation of parameters or monitoring of the processes inside plasma. The laboratory experiments are performed in two radio-frequency (RF) plasma reactors with parallel plate electrodes, where the lower electrode is a so-called 'adaptive electrode'. This electrode is segmented into 57 small 'pixels' independently driven in DC (direct current) and/or RF voltage. When RF voltage is applied to one of these pixels, a bright localized glow, 'secondary plasma ball', appears above. Three dimensional dust crystals with less than 100 particles are formed inside this 'plasma ball' - the ideal conditions for the investigation of the transition from cluster systems to collective systems. The investigation of the particle interactions in crystals is performed with an optical diagnostic, which allows determination of all three particle coordinates simultaneously with time resolution of 0.04 sec. The experimental results are: 1. The binary interaction among particles in addition to the repelling Coulomb force exhibits also an attractive part, which is

  20. Control of Electrostatic Interactions Between F-Actin And Genetically Modified Lysozyme in Aqueous Media

    International Nuclear Information System (INIS)

    Sanders, L.K.; Xian, W.; Guaqueta, C.; Strohman, M.; Vrasich, C.R.; Luijten, E.; Wong, G.C.L.

    2009-01-01

    The aim for deterministic control of the interactions between macroions in aqueous media has motivated widespread experimental and theoretical work. Although it has been well established that like-charged macromolecules can aggregate under the influence of oppositely charged condensing agents, the specific conditions for the stability of such aggregates can only be determined empirically. We examine these conditions, which involve an interplay of electrostatic and osmotic effects, by using a well defined model system composed of F-actin, an anionic rod-like polyelectrolyte, and lysozyme, a cationic globular protein with a charge that can be genetically modified. The structure and stability of actin-lysozyme complexes for different lysozyme charge mutants and salt concentrations are examined by using synchrotron x-ray scattering and molecular dynamics simulations. We provide evidence that supports a structural transition from columnar arrangements of F-actin held together by arrays of lysozyme at the threefold interstitial sites of the actin sublattice to marginally stable complexes in which lysozyme resides at twofold bridging sites between actin. The reduced stability arises from strongly reduced partitioning of salt between the complex and the surrounding solution. Changes in the stability of actin-lysozyme complexes are of biomedical interest because their formation has been reported to contribute to the persistence of airway infections in cystic fibrosis by sequestering antimicrobials such as lysozyme. We present x-ray microscopy results that argue for the existence of actin-lysozyme complexes in cystic fibrosis sputum and demonstrate that, for a wide range of salt conditions, charge-reduced lysozyme is not sequestered in ordered complexes while retaining its bacterial killing activity.

  1. Control of electrostatic interactions between F-actin and genetically modified lysozyme in aqueous media

    International Nuclear Information System (INIS)

    Sanders, Lori K.; Xian, Wujing; Guaqueta, Camilo; Strohman, Michael J.; Vrasich, Chuck R.; Luijten, Erik; Wong, Gerard C.L.

    2007-01-01

    The aim for deterministic control of the interactions between macroions in aqueous media has motivated widespread experimental and theoretical work. Although it has been well established that like-charged macromolecules can aggregate under the influence of oppositely charged condensing agents, the specific conditions for the stability of such aggregates can only be determined empirically. We examine these conditions, which involve an interplay of electrostatic and osmotic effects, by using a well defined model system composed of F-actin, an anionic rod-like polyelectrolyte, and lysozyme, a cationic globular protein with a charge that can be genetically modified. The structure and stability of actin-lysozyme complexes for different lysozyme charge mutants and salt concentrations are examined by using synchrotron x-ray scattering and molecular dynamics simulations. We provide evidence that supports a structural transition from columnar arrangements of F-actin held together by arrays of lysozyme at the threefold interstitial sites of the actin sublattice to marginally stable complexes in which lysozyme resides at twofold bridging sites between actin. The reduced stability arises from strongly reduced partitioning of salt between the complex and the surrounding solution. Changes in the stability of actin-lysozyme complexes are of biomedical interest because their formation has been reported to contribute to the persistence of airway infections in cystic fibrosis by sequestering antimicrobials such as lysozyme. We present x-ray microscopy results that argue for the existence of actin-lysozyme complexes in cystic fibrosis sputum and demonstrate that, for a wide range of salt conditions, charge-reduced lysozyme is not sequestered in ordered complexes while retaining its bacterial killing activity.

  2. Polarizable charge equilibration model for predicting accurate electrostatic interactions in molecules and solids

    Science.gov (United States)

    Naserifar, Saber; Brooks, Daniel J.; Goddard, William A.; Cvicek, Vaclav

    2017-03-01

    Electrostatic interactions play a critical role in determining the properties, structures, and dynamics of chemical, biochemical, and material systems. These interactions are described well at the level of quantum mechanics (QM) but not so well for the various models used in force field simulations of these systems. We propose and validate a new general methodology, denoted PQEq, to predict rapidly and dynamically the atomic charges and polarization underlying the electrostatic interactions. Here the polarization is described using an atomic sized Gaussian shaped electron density that can polarize away from the core in response to internal and external electric fields, while at the same time adjusting the charge on each core (described as a Gaussian function) so as to achieve a constant chemical potential across all atoms of the system. The parameters for PQEq are derived from experimental atomic properties of all elements up to Nobelium (atomic no. = 102). We validate PQEq by comparing to QM interaction energy as probe dipoles are brought along various directions up to 30 molecules containing H, C, N, O, F, Si, P, S, and Cl atoms. We find that PQEq predicts interaction energies in excellent agreement with QM, much better than other common charge models such as obtained from QM using Mulliken or ESP charges and those from standard force fields (OPLS and AMBER). Since PQEq increases the accuracy of electrostatic interactions and the response to external electric fields, we expect that PQEq will be useful for a large range of applications including ligand docking to proteins, catalytic reactions, electrocatalysis, ferroelectrics, and growth of ceramics and films, where it could be incorporated into standard force fields as OPLS, AMBER, CHARMM, Dreiding, ReaxFF, and UFF.

  3. Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Noncovalent Interactions of Peptides and Proteins.

    Science.gov (United States)

    Deb, Pranab; Haldar, Tapas; Kashid, Somnath M; Banerjee, Subhrashis; Chakrabarty, Suman; Bagchi, Sayan

    2016-05-05

    Noncovalent interactions, in particular the hydrogen bonds and nonspecific long-range electrostatic interactions are fundamental to biomolecular functions. A molecular understanding of the local electrostatic environment, consistently for both specific (hydrogen-bonding) and nonspecific electrostatic (local polarity) interactions, is essential for a detailed understanding of these processes. Vibrational Stark Effect (VSE) has proven to be an extremely useful method to measure the local electric field using infrared spectroscopy of carbonyl and nitrile based probes. The nitrile chemical group would be an ideal choice because of its absorption in an infrared spectral window transparent to biomolecules, ease of site-specific incorporation into proteins, and common occurrence as a substituent in various drug molecules. However, the inability of VSE to describe the dependence of IR frequency on electric field for hydrogen-bonded nitriles to date has severely limited nitrile's utility to probe the noncovalent interactions. In this work, using infrared spectroscopy and atomistic molecular dynamics simulations, we have reported for the first time a linear correlation between nitrile frequencies and electric fields in a wide range of hydrogen-bonding environments that may bridge the existing gap between VSE and H-bonding interactions. We have demonstrated the robustness of this field-frequency correlation for both aromatic nitriles and sulfur-based nitriles in a wide range of molecules of varying size and compactness, including small molecules in complex solvation environments, an amino acid, disordered peptides, and structured proteins. This correlation, when coupled to VSE, can be used to quantify noncovalent interactions, specific or nonspecific, in a consistent manner.

  4. Prospects for strong interaction physics at ISABELLE. [Seven papers

    Energy Technology Data Exchange (ETDEWEB)

    Sidhu, D P; Trueman, T L

    1977-01-01

    Seven papers are presented resulting from a conference intended to stimulate thinking about how ISABELLE could be used for studying strong interactions. A separate abstract was prepared for each paper for inclusion in DOE Energy Research Abstracts (ERA). (PMA)

  5. Physical and mechanical properties of gelatin-CMC composite films under the influence of electrostatic interactions.

    Science.gov (United States)

    Esteghlal, Sara; Niakousari, Mehrdad; Hosseini, Seyed Mohammad Hashem

    2018-03-17

    The objective of current study was to examine the electrostatic interactions between gelatin and carboxymethyl cellulose (CMC) as a function of pH and mixing ratio (MR) and to observe how the physical and mechanical properties of gelatin-CMC composite films are affected by these interactions. The interaction between biopolymers was studied using turbidometric analysis at different gelatin: CMC MRs and pH values. A reduction in pH and MR enhanced the electrostatic interactions; while, decreased the relative viscosity of mixed system. Physical and mechanical properties of resultant composite films were examined and compared with those of control gelatin films. Changes in the intensity of interactions between the two biopolymers resulted in films with different properties. Polymer complexation led to formation of resistant film networks of less solubility and swellability. Water vapor permeability (WVP) was not significantly (P≤0.05) influenced by incorporating CMC into continuous gelatin films. Composite films prepared at MR of 9:1 and pH opt (corresponding to the maximum amount of interaction) revealed different characteristics such as maximum amounts of WVP and swelling and minimum amounts of tensile strength and solubility. FTIR spectra of composite films confirmed that gelatin and CMC were not covalently bonded. Copyright © 2018. Published by Elsevier B.V.

  6. Strongly-Interacting Fermi Gases in Reduced Dimensions

    Science.gov (United States)

    2015-11-16

    superconductivity), nuclear physics (nuclear matter), high - energy physics (effective theories of the strong interactions ), astrophysics (compact stellar objects...strongly- interacting Fermi gases confined in a standing- wave CO2 laser trap. This trap produces a periodic quasi-two-dimensional pancake geometry...predictions of the phase diagram and high temperature superfluidity. Our recent measurements reveal that pairing energy and cloud profiles can be

  7. Quark imprisonment as the origin of strong interactions

    CERN Document Server

    Amati, Daniele

    1974-01-01

    A formal scheme is suggested in which the only dynamical ingredients are weak and electro-magnetic interactions with quarks and leptons treated on the same footing. Strong interactions are generated by the requirement that quarks do not appear physically. (7 refs).

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

    Science.gov (United States)

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

    2017-01-01

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

  9. Semicalssical quantization of interacting anyons in a strong magnetic field

    International Nuclear Information System (INIS)

    Levit, S.; Sivan, N.

    1992-01-01

    We represent a semiclassical theory of charged interacting anyons in strong magnetic fields. We apply this theory to a number of few anyons systems including two interacting anyons in the presence of an impurity and three interacting anyons. We discuss the dependence of their energy levels on the statistical parameter and find regions in which this dependence follows very different patterns. The semiclassical arguments allow to correlate these patterns with the change in the character of the classical motion of the system. (author)

  10. Electrostatic interactions between the Bni1p Formin FH2 domain and actin influence actin filament nucleation.

    Science.gov (United States)

    Baker, Joseph L; Courtemanche, Naomi; Parton, Daniel L; McCullagh, Martin; Pollard, Thomas D; Voth, Gregory A

    2015-01-06

    Formins catalyze nucleation and growth of actin filaments. Here, we study the structure and interactions of actin with the FH2 domain of budding yeast formin Bni1p. We built an all-atom model of the formin dimer on an Oda actin filament 7-mer and studied structural relaxation and interprotein interactions by molecular dynamics simulations. These simulations produced a refined model for the FH2 dimer associated with the barbed end of the filament and showed electrostatic interactions between the formin knob and actin target-binding cleft. Mutations of two formin residues contributing to these interactions (R1423N, K1467L, or both) reduced the interaction energies between the proteins, and in coarse-grained simulations, the formin lost more interprotein contacts with an actin dimer than with an actin 7-mer. Biochemical experiments confirmed a strong influence of these mutations on Bni1p-mediated actin filament nucleation, but not elongation, suggesting that different interactions contribute to these two functions of formins. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Membrane-mediated interaction between strongly anisotropic protein scaffolds.

    Directory of Open Access Journals (Sweden)

    Yonatan Schweitzer

    2015-02-01

    Full Text Available Specialized proteins serve as scaffolds sculpting strongly curved membranes of intracellular organelles. Effective membrane shaping requires segregation of these proteins into domains and is, therefore, critically dependent on the protein-protein interaction. Interactions mediated by membrane elastic deformations have been extensively analyzed within approximations of large inter-protein distances, small extents of the protein-mediated membrane bending and small deviations of the protein shapes from isotropic spherical segments. At the same time, important classes of the realistic membrane-shaping proteins have strongly elongated shapes with large and highly anisotropic curvature. Here we investigated, computationally, the membrane mediated interaction between proteins or protein oligomers representing membrane scaffolds with strongly anisotropic curvature, and addressed, quantitatively, a specific case of the scaffold geometrical parameters characterizing BAR domains, which are crucial for membrane shaping in endocytosis. In addition to the previously analyzed contributions to the interaction, we considered a repulsive force stemming from the entropy of the scaffold orientation. We computed this interaction to be of the same order of magnitude as the well-known attractive force related to the entropy of membrane undulations. We demonstrated the scaffold shape anisotropy to cause a mutual aligning of the scaffolds and to generate a strong attractive interaction bringing the scaffolds close to each other to equilibrium distances much smaller than the scaffold size. We computed the energy of interaction between scaffolds of a realistic geometry to constitute tens of kBT, which guarantees a robust segregation of the scaffolds into domains.

  12. Tuning of electrostatic vs. depletion interaction in deciding the phase behavior of nanoparticle-polymer system

    International Nuclear Information System (INIS)

    Kumar, Sugam; Aswal, V. K.; Kohlbrecher, J.

    2015-01-01

    Nanoparticle-polymer system interestingly show a re-entrant phase behavior where charge stabilized silica nanoparticles (phase I) undergo particle clustering (phase II) and then back to individual particles (phase I) as a function of polymer concentration. Such phase behavior arises as a result of dominance of various interactions (i) nanoparticle-nanoparticle electrostatic repulsion (ii) polymer induced attractive depletion between nanoparticles and (iii) polymer-polymer repulsion, at different concentration regimes. Small-angle neutron scattering (SANS) has been used to study the evolution of interaction during this re-entrant phase behavior of nanoparticles by contrast-marching the polymer. The SANS data have been modeled using a two-Yukawa potential accounting for both attractive and repulsive parts of the interaction between nanoparticles. The degree of both of these parts has been separately tuned by varying the polymer concentration and ionic strength of the solution. Both of these parts are found to have long-range nature. At low polymer concentrations, the electrostatic repulsion dominates over the depletion attraction. The magnitude and the range of the depletion interaction increase with the polymer concentration leading to nanoparticle clustering. At higher polymer concentrations, the increased polymer-polymer repulsion reduces the strength of depletion leading to re-entrant phase behavior. The clusters formed under depletion attraction are found to have surface fractal morphology

  13. Tuning of electrostatic vs. depletion interaction in deciding the phase behavior of nanoparticle-polymer system

    Science.gov (United States)

    Kumar, Sugam; Aswal, V. K.; Kohlbrecher, J.

    2015-06-01

    Nanoparticle-polymer system interestingly show a re-entrant phase behavior where charge stabilized silica nanoparticles (phase I) undergo particle clustering (phase II) and then back to individual particles (phase I) as a function of polymer concentration. Such phase behavior arises as a result of dominance of various interactions (i) nanoparticle-nanoparticle electrostatic repulsion (ii) polymer induced attractive depletion between nanoparticles and (iii) polymer-polymer repulsion, at different concentration regimes. Small-angle neutron scattering (SANS) has been used to study the evolution of interaction during this re-entrant phase behavior of nanoparticles by contrast-marching the polymer. The SANS data have been modeled using a two-Yukawa potential accounting for both attractive and repulsive parts of the interaction between nanoparticles. The degree of both of these parts has been separately tuned by varying the polymer concentration and ionic strength of the solution. Both of these parts are found to have long-range nature. At low polymer concentrations, the electrostatic repulsion dominates over the depletion attraction. The magnitude and the range of the depletion interaction increase with the polymer concentration leading to nanoparticle clustering. At higher polymer concentrations, the increased polymer-polymer repulsion reduces the strength of depletion leading to re-entrant phase behavior. The clusters formed under depletion attraction are found to have surface fractal morphology.

  14. Tuning of electrostatic vs. depletion interaction in deciding the phase behavior of nanoparticle-polymer system

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Sugam, E-mail: sugam@barc.gov.in; Aswal, V. K. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Kohlbrecher, J. [Laboratory for Neutron Scattering, Paul Scherrer Institut, H-5232 PSI Villigen (Switzerland)

    2015-06-24

    Nanoparticle-polymer system interestingly show a re-entrant phase behavior where charge stabilized silica nanoparticles (phase I) undergo particle clustering (phase II) and then back to individual particles (phase I) as a function of polymer concentration. Such phase behavior arises as a result of dominance of various interactions (i) nanoparticle-nanoparticle electrostatic repulsion (ii) polymer induced attractive depletion between nanoparticles and (iii) polymer-polymer repulsion, at different concentration regimes. Small-angle neutron scattering (SANS) has been used to study the evolution of interaction during this re-entrant phase behavior of nanoparticles by contrast-marching the polymer. The SANS data have been modeled using a two-Yukawa potential accounting for both attractive and repulsive parts of the interaction between nanoparticles. The degree of both of these parts has been separately tuned by varying the polymer concentration and ionic strength of the solution. Both of these parts are found to have long-range nature. At low polymer concentrations, the electrostatic repulsion dominates over the depletion attraction. The magnitude and the range of the depletion interaction increase with the polymer concentration leading to nanoparticle clustering. At higher polymer concentrations, the increased polymer-polymer repulsion reduces the strength of depletion leading to re-entrant phase behavior. The clusters formed under depletion attraction are found to have surface fractal morphology.

  15. A hybrid parallel architecture for electrostatic interactions in the simulation of dissipative particle dynamics

    Science.gov (United States)

    Yang, Sheng-Chun; Lu, Zhong-Yuan; Qian, Hu-Jun; Wang, Yong-Lei; Han, Jie-Ping

    2017-11-01

    In this work, we upgraded the electrostatic interaction method of CU-ENUF (Yang, et al., 2016) which first applied CUNFFT (nonequispaced Fourier transforms based on CUDA) to the reciprocal-space electrostatic computation and made the computation of electrostatic interaction done thoroughly in GPU. The upgraded edition of CU-ENUF runs concurrently in a hybrid parallel way that enables the computation parallelizing on multiple computer nodes firstly, then further on the installed GPU in each computer. By this parallel strategy, the size of simulation system will be never restricted to the throughput of a single CPU or GPU. The most critical technical problem is how to parallelize a CUNFFT in the parallel strategy, which is conquered effectively by deep-seated research of basic principles and some algorithm skills. Furthermore, the upgraded method is capable of computing electrostatic interactions for both the atomistic molecular dynamics (MD) and the dissipative particle dynamics (DPD). Finally, the benchmarks conducted for validation and performance indicate that the upgraded method is able to not only present a good precision when setting suitable parameters, but also give an efficient way to compute electrostatic interactions for huge simulation systems. Program Files doi:http://dx.doi.org/10.17632/zncf24fhpv.1 Licensing provisions: GNU General Public License 3 (GPL) Programming language: C, C++, and CUDA C Supplementary material: The program is designed for effective electrostatic interactions of large-scale simulation systems, which runs on particular computers equipped with NVIDIA GPUs. It has been tested on (a) single computer node with Intel(R) Core(TM) i7-3770@ 3.40 GHz (CPU) and GTX 980 Ti (GPU), and (b) MPI parallel computer nodes with the same configurations. Nature of problem: For molecular dynamics simulation, the electrostatic interaction is the most time-consuming computation because of its long-range feature and slow convergence in simulation space

  16. Investigation of plasma-surface interaction effects on pulsed electrostatic manipulation for reentry blackout alleviation

    Science.gov (United States)

    Krishnamoorthy, S.; Close, S.

    2017-03-01

    The reentry blackout phenomenon affects most spacecraft entering a dense planetary atmosphere from space, due to the presence of a plasma layer that surrounds the spacecraft. This plasma layer is created by ionization of ambient air due to shock and frictional heating, and in some cases is further enhanced due to contamination by ablation products. This layer causes a strong attenuation of incoming and outgoing electromagnetic waves including those used for command and control, communication and telemetry over a period referred to as the ‘blackout period’. The blackout period may last up to several minutes and is a major contributor to the landing error ellipse at best, and a serious safety hazard in the worst case, especially in the context of human spaceflight. In this work, we present a possible method for alleviation of reentry blackout using electronegative DC pulses applied from insulated electrodes on the reentry vehicle’s surface. We study the reentry plasma’s interaction with a DC pulse using a particle-in-cell (PIC) model. Detailed models of plasma-insulator interaction are included in our simulations. The absorption and scattering of ions and electrons at the plasma-dielectric interface are taken into account. Secondary emission from the insulating surface is also considered, and its implications on various design issues is studied. Furthermore, we explore the effect of changing the applied voltage and the impact of surface physics on the creation and stabilization of communication windows. The primary aim of this analysis is to examine the possibility of restoring L- and S-band communication from the spacecraft to a ground station. Our results provide insight into the effect of key design variables on the response of the plasma to the applied voltage pulse. Simulations show the creation of pockets where electron density in the plasma layer is reduced three orders of magnitude or more in the vicinity of the electrodes. These pockets extend to

  17. Computing the Coulomb interaction in inhomogeneous dielectric media via a local electrostatics lattice algorithm.

    Science.gov (United States)

    Fahrenberger, F; Holm, C

    2014-12-01

    The local approach to computing electrostatic interactions proposed by Maggs and adapted by Rottler and Pasichnyk for molecular-dynamics simulations is extended to situations where the dielectric background medium is inhomogeneous. We furthermore correct a problem of the original algorithm related to the correct treatment of the global dipole moment, provide an error estimate for the accuracy of the algorithm, and suggest a different form of the treatment of the self-energy problem. Our implementation is highly scalable on many cores, and we have validated and compared its performance against theoretical predictions and simulation data obtained by other algorithmic approaches.

  18. Structural and electrostatic regularities in interactions of homeodomains with operator DNA

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  19. Dependence of Interaction Free Energy between Solutes on an External Electrostatic Field

    Directory of Open Access Journals (Sweden)

    Pei-Kun Yang

    2013-07-01

    Full Text Available To explore the athermal effect of an external electrostatic field on the stabilities of protein conformations and the binding affinities of protein-protein/ligand interactions, the dependences of the polar and hydrophobic interactions on the external electrostatic field, −Eext, were studied using molecular dynamics (MD simulations. By decomposing Eext into, along, and perpendicular to the direction formed by the two solutes, the effect of Eext on the interactions between these two solutes can be estimated based on the effects from these two components. Eext was applied along the direction of the electric dipole formed by two solutes with opposite charges. The attractive interaction free energy between these two solutes decreased for solutes treated as point charges. In contrast, the attractive interaction free energy between these two solutes increased, as observed by MD simulations, for Eext = 40 or 60 MV/cm. Eext was applied perpendicular to the direction of the electric dipole formed by these two solutes. The attractive interaction free energy was increased for Eext = 100 MV/cm as a result of dielectric saturation. The force on the solutes along the direction of Eext computed from MD simulations was greater than that estimated from a continuum solvent in which the solutes were treated as point charges. To explore the hydrophobic interactions, Eext was applied to a water cluster containing two neutral solutes. The repulsive force between these solutes was decreased/increased for Eext along/perpendicular to the direction of the electric dipole formed by these two solutes.

  20. Mixtures of Strongly Interacting Bosons in Optical Lattices

    International Nuclear Information System (INIS)

    Buonsante, P.; Penna, V.; Giampaolo, S. M.; Illuminati, F.; Vezzani, A.

    2008-01-01

    We investigate the properties of strongly interacting heteronuclear boson-boson mixtures loaded in realistic optical lattices, with particular emphasis on the physics of interfaces. In particular, we numerically reproduce the recent experimental observation that the addition of a small fraction of 41 K induces a significant loss of coherence in 87 Rb, providing a simple explanation. We then investigate the robustness against the inhomogeneity typical of realistic experimental realizations of the glassy quantum emulsions recently predicted to occur in strongly interacting boson-boson mixtures on ideal homogeneous lattices

  1. Glassy states in fermionic systems with strong disorder and interactions

    Science.gov (United States)

    Schwab, David J.; Chakravarty, Sudip

    2009-03-01

    We study the competition between interactions and disorder in two dimensions. Whereas a noninteracting system is always Anderson localized by disorder in two dimensions, a pure system can develop a Mott gap for sufficiently strong interactions. Within a simple model, with short-ranged repulsive interactions, we show that, even in the limit of strong interaction, the Mott gap is completely washed out by disorder for an infinite system for dimensions D≤2 , leading to a glassy state. Moreover, the Mott insulator cannot maintain a broken symmetry in the presence of disorder. We then show that the probability of a nonzero gap as a function of system size falls onto a universal curve, reflecting the glassy dynamics. An analytic calculation is also presented in one dimension that provides further insight into the nature of slow dynamics.

  2. New results on strong-interaction effects in antiprotonic hydrogen

    CERN Document Server

    Gotta, D; Augsburger, M A; Borchert, G L; Castelli, C M; Chatellard, D; El-Khoury, P; Egger, J P; Gorke, H; Hauser, P R; Indelicato, P J; Kirch, K; Lenz, S; Nelms, N; Rashid, K; Schult, O W B; Siems, T; Simons, L M

    1999-01-01

    Lyman and Balmer transitions of antiprotonic hydrogen and deuterium have been measured at the low-energy antiproton ring LEAR at CERN in order to determine the strong interaction effects. The X-rays were detected using charge-coupled devices (CCDs) and a reflection type crystal spectrometer. The results of the measurements support the meson-exchange models describing the medium and long range part of the nucleon-antinucleon interaction. (33 refs).

  3. New results on strong-interaction effects in antiprotonic hydrogen

    International Nuclear Information System (INIS)

    Anagnostopoulos, D. F.; Augsburger, M.; Borchert, G.; Castelli, C.; Chatellard, D.; El-Khoury, P.; Egger, J.-P.; Gorke, H.; Gotta, D.; Hauser, P.; Indelicato, P.; Kirch, K.; Lenz, S.; Nelms, N.; Rashid, K.; Schult, O. W. B.; Siems, Th.; Simons, L. M.

    1999-01-01

    Lyman and Balmer transitions of antiprotonic hydrogen and deuterium have been measured at the Low-Energy Antiproton Ring LEAR at CERN in order to determine the strong interaction effects. The X-rays were detected using Charge-Coupled Devices (CCDs) and a reflection type crystal spectrometer. The results of the measurements support the meson-exchange models describing the medium and long range part of the nucleon-antinucleon interaction

  4. The impact of electrostatic interactions on ultrafast charge transfer at Ag 29 nanoclusters–fullerene and CdTe quantum dots–fullerene interfaces

    KAUST Repository

    Ahmed, Ghada H.

    2015-11-09

    A profound understanding of charge transfer (CT) at semiconductor quantum dots (QDs) and nanoclusters (NCs) interfaces is extremely important to optimize the energy conversion efficiency in QDs and NCs-based solar cell devices. Here, we report on the ground- and excited-state interactions at the interface of two different bimolecular non-covalent donor-acceptor (D-A) systems using steady-state and femtosecond transient absorption (fs-TA) spectroscopy with broadband capabilities. We systematically investigate the electrostatic interactions between the positively charged fullerene derivative C60-(N,N dimethylpyrrolidinium iodide) (CF) employed as an efficient molecular acceptor and two different donor molecules: Ag29 nanoclusters (NCs) and CdTe quantum dots (QDs). For comparison purposes, we also monitor the interaction of each donor molecule with the neutral fullerene derivative C60-(malonic acid)n, which has minimal electrostatic interactions. Our steady-state and time-resolved data demonstrate that both QDs and NCs have strong interfacial electrostatic interactions and dramatic fluorescence quenching when the CF derivative is present. In other words, our results reveal that only CF can be in close molecular proximity with the QDs and NCs, allowing ultrafast photoinduced CT to occur. It turned out that the intermolecular distances, electronic coupling and subsequently CT from the excited QDs or NCs to fullerene derivatives can be controlled by the interfacial electrostatic interactions. Our findings highlight some of the key variable components for optimizing CT at QDs and NCs interfaces, which can also be applied to other D-A systems that rely on interfacial CT. © The Royal Society of Chemistry 2016.

  5. Strong light-matter interaction in graphene - Invited talk

    DEFF Research Database (Denmark)

    Xiao, Sanshui

    of graphene with noble-metal nanostructures is currently being explored for strong light-graphene interaction. We introduce a novel hybrid graphene-metal system for studying light-matter interactions with gold-void nanostructures exhibiting resonances in the visible range[1]. The hybrid system is further......Graphene has attracted lots of attention due to its remarkable electronic and optical properties, thus providing great promise in photonics and optoelectronics. However, the performance of these devices is generally limited by the weak light-matter interaction in graphene. The combination...

  6. Discriminative deep inelastic tests of strong interaction field theories

    International Nuclear Information System (INIS)

    Glueck, M.; Reya, E.

    1979-02-01

    It is demonstrated that recent measurements of ∫ 0 1 F 2 (x, Q 2 )dx eliminate already all strong interaction field theories except QCD. A detailed study of scaling violations of F 2 (x, Q 2 ) in QCD shows their insensitivity to the gluon content of the hadron at presently measured values of Q 2 . (orig.) [de

  7. Strongly interacting mesoscopic systems of anyons in one dimension

    DEFF Research Database (Denmark)

    Zinner, N. T.

    2015-01-01

    Using the fractional statistical properties of so-called anyonic particles, we present exact solutions for up to six strongly interacting particles in one-dimensional confinement that interpolate the usual bosonic and fermionic limits. Specifically, we consider two-component mixtures of anyons...

  8. Interplay of Anderson localization and strong interaction in disordered systems

    Energy Technology Data Exchange (ETDEWEB)

    Henseler, Peter

    2010-01-15

    We study the interplay of disorder localization and strong local interactions within the Anderson-Hubbard model. Taking into account local Mott-Hubbard physics and static screening of the disorder potential, the system is mapped onto an effective single-particle Anderson model, which is studied within the self-consistent theory of electron localization. For fermions, we find rich nonmonotonic behavior of the localization length {xi}, particularly in two-dimensional systems, including an interaction-induced exponential enhancement of {xi} for small and intermediate disorders and a strong reduction of {xi} due to hopping suppression by strong interactions. In three dimensions, we identify for half filling a Mott-Hubbard-assisted Anderson localized phase existing between the metallic and the Mott-Hubbard-gapped phases. For small U there is re-entrant behavior from the Anderson localized phase to the metallic phase. For bosons, the unrestricted particle occupation number per lattice site yields a monotonic enhancement of {xi} as a function of decreasing interaction, which we assume to persist until the superfluid Bose-Einstein condensate phase is entered. Besides, we study cold atomic gases expanding, by a diffusion process, in a weak random potential. We show that the density-density correlation function of the expanding gas is strongly affected by disorder and we estimate the typical size of a speckle spot, i.e., a region of enhanced or depleted density. Both a Fermi gas and a Bose-Einstein condensate (in a mean-field approach) are considered. (orig.)

  9. Interplay of Anderson localization and strong interaction in disordered systems

    International Nuclear Information System (INIS)

    Henseler, Peter

    2010-01-01

    We study the interplay of disorder localization and strong local interactions within the Anderson-Hubbard model. Taking into account local Mott-Hubbard physics and static screening of the disorder potential, the system is mapped onto an effective single-particle Anderson model, which is studied within the self-consistent theory of electron localization. For fermions, we find rich nonmonotonic behavior of the localization length ξ, particularly in two-dimensional systems, including an interaction-induced exponential enhancement of ξ for small and intermediate disorders and a strong reduction of ξ due to hopping suppression by strong interactions. In three dimensions, we identify for half filling a Mott-Hubbard-assisted Anderson localized phase existing between the metallic and the Mott-Hubbard-gapped phases. For small U there is re-entrant behavior from the Anderson localized phase to the metallic phase. For bosons, the unrestricted particle occupation number per lattice site yields a monotonic enhancement of ξ as a function of decreasing interaction, which we assume to persist until the superfluid Bose-Einstein condensate phase is entered. Besides, we study cold atomic gases expanding, by a diffusion process, in a weak random potential. We show that the density-density correlation function of the expanding gas is strongly affected by disorder and we estimate the typical size of a speckle spot, i.e., a region of enhanced or depleted density. Both a Fermi gas and a Bose-Einstein condensate (in a mean-field approach) are considered. (orig.)

  10. A systematic study of the strong interaction with PANDA

    NARCIS (Netherlands)

    Messchendorp, J. G.; Hosaka, A; Khemchandani, K; Nagahiro, H; Nawa, K

    2011-01-01

    The theory of Quantum Chromo Dynamics (QCD) reproduces the strong interaction at distances much shorter than the size of the nucleon. At larger distance scales, the generation of hadron masses and confinement cannot yet be derived from first principles on basis of QCD. The PANDA experiment at FAIR

  11. Measurement of strong interaction parameters in antiprotonic hydrogen and deuterium

    CERN Document Server

    Augsburger, M A; Borchert, G L; Chatellard, D; Egger, J P; El-Khoury, P; Gorke, H; Gotta, D; Hauser, P R; Indelicato, P J; Kirch, K; Lenz, S; Siems, T; Simons, L M

    1999-01-01

    In the PS207 experiment at CERN, X-rays from antiprotonic hydrogen and deuterium have been measured at low pressure. The strong interaction shift and the broadening of the K/sub alpha / transition in antiprotonic hydrogen were $9 determined. Evidence was found for the individual hyperfine components of the protonium ground state. (7 refs).

  12. Emergence of junction dynamics in a strongly interacting Bose mixture

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Foerster, Angela; Zinner, Nikolaj Thomas

    We study the dynamics of a one-dimensional system composed of a bosonic background and one impurity in single- and double-well trapping geometries. In the limit of strong interactions, this system can be modeled by a spin chain where the exchange coefficients are determined by the geometry of the...

  13. Symmetry-protected collisions between strongly interacting photons.

    Science.gov (United States)

    Thompson, Jeff D; Nicholson, Travis L; Liang, Qi-Yu; Cantu, Sergio H; Venkatramani, Aditya V; Choi, Soonwon; Fedorov, Ilya A; Viscor, Daniel; Pohl, Thomas; Lukin, Mikhail D; Vuletić, Vladan

    2017-02-09

    Realizing robust quantum phenomena in strongly interacting systems is one of the central challenges in modern physical science. Approaches ranging from topological protection to quantum error correction are currently being explored across many different experimental platforms, including electrons in condensed-matter systems, trapped atoms and photons. Although photon-photon interactions are typically negligible in conventional optical media, strong interactions between individual photons have recently been engineered in several systems. Here, using coherent coupling between light and Rydberg excitations in an ultracold atomic gas, we demonstrate a controlled and coherent exchange collision between two photons that is accompanied by a π/2 phase shift. The effect is robust in that the value of the phase shift is determined by the interaction symmetry rather than the precise experimental parameters, and in that it occurs under conditions where photon absorption is minimal. The measured phase shift of 0.48(3)π is in excellent agreement with a theoretical model. These observations open a route to realizing robust single-photon switches and all-optical quantum logic gates, and to exploring novel quantum many-body phenomena with strongly interacting photons.

  14. Molecular aggregation in water : the interplay of hydrophobic and electrostatic interactions

    NARCIS (Netherlands)

    Buwalda, Rixt Tietje

    2001-01-01

    Hydrophobic interactions belong to the most important noncovalent interactions and play an important role in many (bio)chemical processes. A number of processes in aqueous solution like protein folding, surfactant aggregation or molecular recognition processes strongly rely on the interactions

  15. Finding strongly interacting symmetry breaking at the SSC

    International Nuclear Information System (INIS)

    Golden, M.

    1989-02-01

    Pairs of gauge bosons, W and Z, are a probe of the electroweak symmetry-breaking sector, since the numbers of two gauge boson events are much larger in strongly coupled models than weak. The doubly charged channels W + W + and W/sup /minus//W/sup/minus// are cleanest, since they do not suffer from q/bar q/ or gg fusion backgrounds. The like-charged gauge boson events are observable only if the symmetry breaking sector is strongly interacting. 19 refs., 4 figs., 2 tabs

  16. Role of Subunit Exchange and Electrostatic Interactions on the Chaperone Activity of Mycobacterium leprae HSP18.

    Science.gov (United States)

    Nandi, Sandip Kumar; Panda, Alok Kumar; Chakraborty, Ayon; Sinha Ray, Sougata; Biswas, Ashis

    2015-01-01

    Mycobacterium leprae HSP18, a major immunodominant antigen of M. leprae pathogen, is a small heat shock protein. Previously, we reported that HSP18 is a molecular chaperone that prevents aggregation of different chemically and thermally stressed client proteins and assists refolding of denatured enzyme at normal temperature. We also demonstrated that it can efficiently prevent the thermal killing of E. coli at higher temperature. However, molecular mechanism behind the chaperone function of HSP18 is still unclear. Therefore, we studied the structure and chaperone function of HSP18 at normal temperature (25°C) as well as at higher temperatures (31-43°C). Our study revealed that the chaperone function of HSP18 is enhanced significantly with increasing temperature. Far- and near-UV CD experiments suggested that its secondary and tertiary structure remain intact in this temperature range (25-43°C). Besides, temperature has no effect on the static oligomeric size of this protein. Subunit exchange study demonstrated that subunits of HSP18 exchange at 25°C with a rate constant of 0.018 min(-1). Both rate of subunit exchange and chaperone activity of HSP18 is found to increase with rise in temperature. However, the surface hydrophobicity of HSP18 decreases markedly upon heating and has no correlation with its chaperone function in this temperature range. Furthermore, we observed that HSP18 exhibits diminished chaperone function in the presence of NaCl at 25°C. At elevated temperatures, weakening of interactions between HSP18 and stressed client proteins in the presence of NaCl results in greater reduction of its chaperone function. The oligomeric size, rate of subunit exchange and structural stability of HSP18 were also found to decrease when electrostatic interactions were weakened. These results clearly indicated that subunit exchange and electrostatic interactions play a major role in the chaperone function of HSP18.

  17. On the strong crack-microcrack interaction problem

    Science.gov (United States)

    Gorelik, M.; Chudnovsky, A.

    1992-07-01

    The problem of the crack-microcrack interaction is examined with special attention given to the iterative procedure described by Chudnovsky and Kachanov (1983), Chudnovsky et al. (1984), and Horii and Nemat-Nasser (1983), which yields erroneous results as the crack tips become closer (i.e., for strong crack interaction). To understand the source of error, the traction distributions along the microcrack line on the n-th step of iteration representing the exact and asymptotic stress fields are compared. It is shown that the asymptotic solution gives a gross overestimation of the actual traction.

  18. Ruling out a strongly interacting standard Higgs model

    International Nuclear Information System (INIS)

    Riesselmann, K.; Willenbrock, S.

    1997-01-01

    Previous work has suggested that perturbation theory is unreliable for Higgs- and Goldstone-boson scattering, at energies above the Higgs-boson mass, for relatively small values of the Higgs quartic coupling λ(μ). By performing a summation of nonlogarithmic terms, we show that perturbation theory is in fact reliable up to relatively large coupling. This eliminates the possibility of a strongly interacting standard Higgs model at energies above the Higgs-boson mass, complementing earlier studies which excluded strong interactions at energies near the Higgs-boson mass. The summation can be formulated in terms of an appropriate scale in the running coupling, μ=√(s)/e∼√(s)/2.7, so it can be incorporated easily in renormalization-group-improved tree-level amplitudes as well as higher-order calculations. copyright 1996 The American Physical Society

  19. A connection between the strong and weak interactions

    International Nuclear Information System (INIS)

    Treiman, S.B.

    1989-01-01

    By studying weak scattering reactions (such as pion-nucleon scattering), the author and his colleague Marvin L Goldberger became renowned in the 1950s for work on dispersion relations. As a result of their collaboration a remarkable and unexpected connection was found between strong and weak interaction quantities. Agreement with experiment was good. Work by others found the same result, but via the partially conserved axial reactor current relation between the axial current divergence and the canonical pion field. (UK)

  20. Thermodynamics of strong-interaction matter from Lattice QCD

    OpenAIRE

    Ding, Heng-Tong; Karsch, Frithjof; Mukherjee, Swagato

    2015-01-01

    We review results from lattice QCD calculations on the thermodynamics of strong-interaction matter with emphasis on input these calculations can provide to the exploration of the phase diagram and properties of hot and dense matter created in heavy ion experiments. This review is organized as follows: 1) Introduction, 2) QCD thermodynamics on the lattice, 3) QCD phase diagram at high temperature, 4) Bulk thermodynamics, 5) Fluctuations of conserved charges, 6) Transport properties, 7) Open he...

  1. The Electron-Phonon Interaction in Strongly Correlated Systems

    International Nuclear Information System (INIS)

    Castellani, C.; Grilli, M.

    1995-01-01

    We analyze the effect of strong electron-electron repulsion on the electron-phonon interaction from a Fermi-liquid point of view and show that the electron-electron interaction is responsible for vertex corrections, which generically lead to a strong suppression of the electron-phonon coupling in the v F q/ω >>1 region, while such effect is not present when v F q/ω F is the Fermi velocity and q and ω are the transferred momentum and frequency respectively. In particular the e-ph scattering is suppressed in transport properties which are dominated by low-energy-high-momentum processes. On the other hand, analyzing the stability criterion for the compressibility, which involves the effective interactions in the dynamical limit, we show that a sizable electron-phonon interaction can push the system towards a phase-separation instability. Finally a detailed analysis of these ideas is carried out using a slave-boson approach for the infinite-U three-band Hubbard model in the presence of a coupling between the local hole density and a dispersionless optical phonon. (author)

  2. Protein-protein interactions in paralogues: Electrostatics modulates specificity on a conserved steric scaffold.

    Science.gov (United States)

    Ivanov, Stefan M; Cawley, Andrew; Huber, Roland G; Bond, Peter J; Warwicker, Jim

    2017-01-01

    An improved knowledge of protein-protein interactions is essential for better understanding of metabolic and signaling networks, and cellular function. Progress tends to be based on structure determination and predictions using known structures, along with computational methods based on evolutionary information or detailed atomistic descriptions. We hypothesized that for the case of interactions across a common interface, between proteins from a pair of paralogue families or within a family of paralogues, a relatively simple interface description could distinguish between binding and non-binding pairs. Using binding data for several systems, and large-scale comparative modeling based on known template complex structures, it is found that charge-charge interactions (for groups bearing net charge) are generally a better discriminant than buried non-polar surface. This is particularly the case for paralogue families that are less divergent, with more reliable comparative modeling. We suggest that electrostatic interactions are major determinants of specificity in such systems, an observation that could be used to predict binding partners.

  3. Protein-protein interactions in paralogues: Electrostatics modulates specificity on a conserved steric scaffold.

    Directory of Open Access Journals (Sweden)

    Stefan M Ivanov

    Full Text Available An improved knowledge of protein-protein interactions is essential for better understanding of metabolic and signaling networks, and cellular function. Progress tends to be based on structure determination and predictions using known structures, along with computational methods based on evolutionary information or detailed atomistic descriptions. We hypothesized that for the case of interactions across a common interface, between proteins from a pair of paralogue families or within a family of paralogues, a relatively simple interface description could distinguish between binding and non-binding pairs. Using binding data for several systems, and large-scale comparative modeling based on known template complex structures, it is found that charge-charge interactions (for groups bearing net charge are generally a better discriminant than buried non-polar surface. This is particularly the case for paralogue families that are less divergent, with more reliable comparative modeling. We suggest that electrostatic interactions are major determinants of specificity in such systems, an observation that could be used to predict binding partners.

  4. Nonperturbative Dynamics of Strong Interactions from Gauge/Gravity Duality

    Energy Technology Data Exchange (ETDEWEB)

    Grigoryan, Hovhannes [Louisiana State Univ., Baton Rouge, LA (United States)

    2008-08-01

    This thesis studies important dynamical observables of strong interactions such as form factors. It is known that Quantum Chromodynamics (QCD) is a theory which describes strong interactions. For large energies, one can apply perturbative techniques to solve some of the QCD problems. However, for low energies QCD enters into the nonperturbative regime, where di erent analytical or numerical tools have to be applied to solve problems of strong interactions. The holographic dual model of QCD is such an analytical tool that allows one to solve some nonperturbative QCD problems by translating them into a dual ve-dimensional theory de ned on some warped Anti de Sitter (AdS) background. Working within the framework of the holographic dual model of QCD, we develop a formalism to calculate form factors and wave functions of vector mesons and pions. As a result, we provide predictions of the electric radius, the magnetic and quadrupole moments which can be directly veri ed in lattice calculations or even experimentally. To nd the anomalous pion form factor, we propose an extension of the holographic model by including the Chern-Simons term required to reproduce the chiral anomaly of QCD. This allows us to nd the slope of the form factor with one real and one slightly o -shell photon which appeared to be close to the experimental ndings. We also analyze the limit of large virtualities (when the photon is far o -shell) and establish that predictions of the holographic model analytically coincide with those of perturbative QCD with asymptotic pion distribution amplitude. We also study the e ects of higher dimensional terms in the AdS/QCD model and show that these terms improve the holographic description towards a more realistic scenario. We show this by calculating corrections to the vector meson form factors and corrections to the observables such as electric radii, magnetic and quadrupole moments.

  5. The hadronic standard model for strong and electroweak interactions

    Energy Technology Data Exchange (ETDEWEB)

    Raczka, R. [Soltan Inst. for Nuclear Studies, Otwock-Swierk (Poland)

    1993-12-31

    We propose a new model for strong and electro-weak interactions. First, we review various QCD predictions for hadron-hadron and lepton-hadron processes. We indicate that the present formulation of strong interactions in the frame work of Quantum Chromodynamics encounters serious conceptual and numerical difficulties in a reliable description of hadron-hadron and lepton-hadron interactions. Next we propose to replace the strong sector of Standard Model based on unobserved quarks and gluons by the strong sector based on the set of the observed baryons and mesons determined by the spontaneously broken SU(6) gauge field theory model. We analyse various properties of this model such as asymptotic freedom, Reggeization of gauge bosons and fundamental fermions, baryon-baryon and meson-baryon high energy scattering, generation of {Lambda}-polarization in inclusive processes and others. Finally we extend this model by electro-weak sector. We demonstrate a remarkable lepton and hadron anomaly cancellation and we analyse a series of important lepton-hadron and hadron-hadron processes such as e{sup +} + e{sup -} {yields} hadrons, e{sup +} + e{sup -} {yields} W{sup +} + W{sup -}, e{sup +} + e{sup -} {yields} p + anti-p, e + p {yields} e + p and p + anti-p {yields} p + anti-p processes. We obtained a series of interesting new predictions in this model especially for processes with polarized particles. We estimated the value of the strong coupling constant {alpha}(M{sub z}) and we predicted the top baryon mass M{sub {Lambda}{sub t}} {approx_equal} 240 GeV. Since in our model the proton, neutron, {Lambda}-particles, vector mesons like {rho}, {omega}, {phi}, J/{psi} ect. and leptons are elementary most of experimentally analysed lepton-hadron and hadron-hadron processes in LEP1, LEP2, LEAR, HERA, HERMES, LHC and SSC experiments may be relatively easily analysed in our model. (author). 252 refs, 65 figs, 1 tab.

  6. Emergence of junction dynamics in a strongly interacting Bose mixture

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Foerster, Angela; Zinner, Nikolaj Thomas

    We study the dynamics of a one-dimensional system composed of a bosonic background and one impurity in single- and double-well trapping geometries. In the limit of strong interactions, this system can be modeled by a spin chain where the exchange coefficients are determined by the geometry...... of the trap. We observe non-trivial dynamics when the repulsion between the impurity and the background is dominant. In this regime, the system exhibits oscillations that resemble the dynamics of a Josephson junction. Furthermore, the double-well geometry allows for an enhancement in the tunneling as compared...

  7. Strongly modified plasmon-matter interaction with mesoscopic quantum emitters

    DEFF Research Database (Denmark)

    Andersen, Mads Lykke; Stobbe, Søren; Søndberg Sørensen, Anders

    2011-01-01

    Semiconductor quantum dots (QDs) provide useful means to couple light and matter in applications such as light-harvesting1, 2 and all-solid-state quantum information processing3, 4. This coupling can be increased by placing QDs in nanostructured optical environments such as photonic crystals...... or metallic nanostructures that enable strong confinement of light and thereby enhance the light–matter interaction. It has thus far been assumed that QDs can be described in the same way as atomic photon emitters—as point sources with wavefunctions whose spatial extent can be disregarded. Here we demonstrate...

  8. Strongly interacting atom lasers in three-dimensional optical lattices.

    Science.gov (United States)

    Hen, Itay; Rigol, Marcos

    2010-10-29

    We show that the dynamical melting of a Mott insulator in a three-dimensional lattice leads to condensation at nonzero momenta, a phenomenon that can be used to generate strongly interacting atom lasers in optical lattices. For infinite on-site repulsion, the case considered here, the momenta at which bosons condense are determined analytically and found to have a simple dependence on the hopping amplitudes. The occupation of the condensates is shown to scale linearly with the total number of atoms in the initial Mott insulator. Our results are obtained by using a Gutzwiller-type mean-field approach, gauged against exact-diagonalization solutions of small systems.

  9. Ising models of strongly coupled biological networks with multivariate interactions

    Science.gov (United States)

    Merchan, Lina; Nemenman, Ilya

    2013-03-01

    Biological networks consist of a large number of variables that can be coupled by complex multivariate interactions. However, several neuroscience and cell biology experiments have reported that observed statistics of network states can be approximated surprisingly well by maximum entropy models that constrain correlations only within pairs of variables. We would like to verify if this reduction in complexity results from intricacies of biological organization, or if it is a more general attribute of these networks. We generate random networks with p-spin (p > 2) interactions, with N spins and M interaction terms. The probability distribution of the network states is then calculated and approximated with a maximum entropy model based on constraining pairwise spin correlations. Depending on the M/N ratio and the strength of the interaction terms, we observe a transition where the pairwise approximation is very good to a region where it fails. This resembles the sat-unsat transition in constraint satisfaction problems. We argue that the pairwise model works when the number of highly probable states is small. We argue that many biological systems must operate in a strongly constrained regime, and hence we expect the pairwise approximation to be accurate for a wide class of problems. This research has been partially supported by the James S McDonnell Foundation grant No.220020321.

  10. Electrostatic compared with hydrophobic interactions between bovine serum amine oxidase and its substrates.

    Science.gov (United States)

    Di Paolo, Maria Luisa; Stevanato, Roberto; Corazza, Alessandra; Vianello, Fabio; Lunelli, Lorenzo; Scarpa, Marina; Rigo, Adelio

    2003-01-01

    A steady-state kinetic study of bovine serum amine oxidase activity was performed, over a wide range of pH values (5.4-10.2) and ionic strength (10-200 mM), using various (physiological and analogue) substrates as specific probes of the active-site binding region. Relatively small changes in k (cat) values (approx. one order of magnitude) accompanied by marked changes in K(m) and k(cat)/K(m) values (approx. six orders of magnitude) were observed. This behaviour was correlated with the presence of positively charged groups or apolar chains in the substrates. In particular, it was found that the docking of the physiological polyamines, i.e. spermidine and spermine, appears to be modulated by three amino acid residues of the active site, which we have named L(-)H(+), G(-)H(+) and IH(+), characterized by p K (a) values of 6.2+/-0.2 [Di Paolo, Scarpa, Corazza, Stevanato and Rigo (2002) Biophys. J. 83, 2231-2239], 8.2+/-0.3 and 7.8+/-0.4 respectively. The electrostatic interaction between the protonated substrates and the enzyme containing the residues L(-)H(+), G(-)H(+) and IH(+) in the deprotonated form, the on/off role of the IH(+) residue and the role of hydrophobic interactions with substrates characterized by apolar chains are discussed. PMID:12529179

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

    Directory of Open Access Journals (Sweden)

    Arnout Voet

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

  12. Noise in strong laser-atom interactions: Phase telegraph noise

    International Nuclear Information System (INIS)

    Eberly, J.H.; Wodkiewicz, K.; Shore, B.W.

    1984-01-01

    We discuss strong laser-atom interactions that are subjected to jump-type (random telegraph) random-phase noise. Physically, the jumps may arise from laser fluctuations, from collisions of various kinds, or from other external forces. Our discussion is carried out in two stages. First, direct and partially heuristic calculations determine the laser spectrum and also give a third-order differential equation for the average inversion of a two-level atom on resonance. At this stage a number of general features of the interaction are able to be studied easily. The optical analog of motional narrowing, for example, is clearly predicted. Second, we show that the theory of generalized Poisson processes allows laser-atom interactions in the presence of random telegraph noise of all kinds (not only phase noise) to be treated systematically, by means of a master equation first used in the context of quantum optics by Burshtein. We use the Burshtein equation to obtain an exact expression for the two-level atom's steady-state resonance fluorescence spectrum, when the exciting laser exhibits phase telegraph noise. Some comparisons are made with results obtained from other noise models. Detailed treatments of the effects ofmly jumps, or as a model of finite laser bandwidth effects, in which the laser frequency exhibits random jumps. We show that these two types of frequency noise can be distinguished in light-scattering spectra. We also discuss examples which demonstrate both temporal and spectral motional narrowing, nonexponential correlations, and non-Lorentzian spectra. Its exact solubility in finite terms makes the frequency-telegraph noise model an attractive alternative to the white-noise Ornstein-Uhlenbeck frequency noise model which has been previously applied to laser-atom interactions

  13. Towards a unified gauge theory of gravitational and strong interactions

    International Nuclear Information System (INIS)

    Hehl, F.W.; Sijacki, D.

    1980-01-01

    The space-time properties of leptons and hadrons is studied and it is found necessary to extend general relativity to the gauge theory based on the four-dimensional affine group. This group translates and deforms the tetrads of the locally Minkowskian space-time. Its conserved currents, momentum, and hypermomentum, act as sources in the two field equations of gravity. A Lagrangian quadratic in torsion and curvature allows for the propagation of two independent gauge fields: translational e-gravity mediated by the tetrad coefficients, and deformational GAMMA-gravity mediated by the connection coefficients. For macroscopic matter e-gravity coincides with general relativity up to the post-Newtonian approximation of fourth order. For microscopic matter GAMMA-gravity represents a strong Yang-Mills type interaction. In the linear approximation, for a static source, a confinement potential is found. (author)

  14. Extreme states of matter in strong interaction physics an introduction

    CERN Document Server

    Satz, Helmut

    2018-01-01

    This book is a course-tested primer on the thermodynamics of strongly interacting matter – a profound and challenging area of both theoretical and experimental modern physics. Analytical and numerical studies of statistical quantum chromodynamics provide the main theoretical tool, while in experiments, high-energy nuclear collisions are the key for extensive laboratory investigations. As such, the field straddles statistical, particle and nuclear physics, both conceptually and in the methods of investigation used. The book addresses, above all, the many young scientists starting their scientific research in this field, providing them with a general, self-contained introduction that highlights the basic concepts and ideas and explains why we do what we do. Much of the book focuses on equilibrium thermodynamics: first it presents simplified phenomenological pictures, leading to critical behavior in hadronic matter and to a quark-hadron phase transition. This is followed by elements of finite temperature latti...

  15. Ion Motion in a Plasma Interacting with Strong Magnetic Fields

    International Nuclear Information System (INIS)

    Weingarten, A.; Grabowski, C.; Chakrabarti, N.; Maron, Y.; Fruchtmant, A.

    1999-01-01

    The interaction of a plasma with strong magnetic fields takes place in many laboratory experiments and astrophysical plasmas. Applying a strong magnetic field to the plasma may result in plasma displacement, magnetization, or the formation of instabilities. Important phenomena in plasma, such as the energy transport and the momentum balance, take a different form in each case. We study this interaction in a plasma that carries a short-duration (80-ns) current pulse, generating a magnetic field of up to 17 kG. The evolution of the magnetic field, plasma density, ion velocities, and electric fields are determined before and during the current pulse. The dependence of the plasma limiting current on the plasma density and composition are studied and compared to theoretical models based on the different phenomena. When the plasma collisionality is low, three typical velocities should be taken into consideration: the proton and heavier-ion Alfven velocities (v A p and v A h , respectively) and the EMHD magnetic-field penetration velocity into the plasma (v EMHD ). If both Alfven velocities are larger than v EMHD the plasma is pushed ahead of the magnetic piston and the magnetic field energy is dissipated into ion kinetic energy. If v EMHD is the largest of three velocities, the plasma become magnetized and the ions acquire a small axial momentum only. Different ion species may drift in different directions along the current lines. In this case, the magnetic field energy is probably dissipated into electron thermal energy. When vs > V EMHD > vi, as in the case of one of our experiments, ion mass separation occurs. The protons are pushed ahead of the piston while the heavier-ions become magnetized. Since the plasma electrons are unmagnetized they cannot cross the piston, and the heavy ions are probably charge-neutralized by electrons originating from the cathode that are 'born' magnetized

  16. Effect of electrostatic interactions on phase stability of cubic phases of biomembranes.

    Science.gov (United States)

    Li, Shu Jie; Masum, Shah Md; Yamashita, Yuko; Tamba, Yukihiro; Yamazaki, Masahito

    2002-06-01

    We investigated effect of electrostatic interactions due to surfacecharges on structures and stability of cubic phases of monoolein (MO)membrane using the small-angle X-ray scattering method. Firstly, wechanged the surface charge density of the membrane by usingdioleoylphosphatidic acid (DOPA). As increasing DOPA concentration in themembrane at 30 wt % lipid concentration, a Q(224) to Q(229) phasetransition occurred at 0.6 mol % DOPA, and at and above 25 mol %, DOPA/MOmembranes were in the L(α) phase. NaCl in the bulk phase reduced theeffect of DOPA. These results indicate that as the electrostaticinteractions increase, the most stable phase changes as follows: Q(224)⇒ Q(229) ⇒ L(α). The increase in DOPAconcentration reduced the absolute value of spontaneous curvature of themembrane, | H(0) |. Secondly, we changed the surface charge of themembrane by adding a de novo designed peptide, which has netpositive charges and a binding site on the electrically neutral membraneinterface. The peptide-1 (WLFLLKKK) induced a Q(224) to Q(229)phase transition in the MO membrane at low peptide concentration. As NaClconcentration increases, the MO/peptide-1 membrane changed from Q(229)to Q(224) phase. The increase in peptide-1 concentration reduced |H(0) |. Based on these results, the stability of the cubic phases and themechanism of phase transition between cubic phase and L(α) phase arediscussed.

  17. Utilizing Intrinsic Properties of Polyaniline to Detect Nucleic Acid Hybridization through UV-Enhanced Electrostatic Interaction.

    Science.gov (United States)

    Sengupta, Partha Pratim; Gloria, Jared N; Amato, Dahlia N; Amato, Douglas V; Patton, Derek L; Murali, Beddhu; Flynt, Alex S

    2015-10-12

    Detection of specific RNA or DNA molecules by hybridization to "probe" nucleic acids via complementary base-pairing is a powerful method for analysis of biological systems. Here we describe a strategy for transducing hybridization events through modulating intrinsic properties of the electroconductive polymer polyaniline (PANI). When DNA-based probes electrostatically interact with PANI, its fluorescence properties are increased, a phenomenon that can be enhanced by UV irradiation. Hybridization of target nucleic acids results in dissociation of probes causing PANI fluorescence to return to basal levels. By monitoring restoration of base PANI fluorescence as little as 10(-11) M (10 pM) of target oligonucleotides could be detected within 15 min of hybridization. Detection of complementary oligos was specific, with introduction of a single mismatch failing to form a target-probe duplex that would dissociate from PANI. Furthermore, this approach is robust and is capable of detecting specific RNAs in extracts from animals. This sensor system improves on previously reported strategies by transducing highly specific probe dissociation events through intrinsic properties of a conducting polymer without the need for additional labels.

  18. Electrostatic Interactions at the Dimer Interface Stabilize the E. coli β Sliding Clamp.

    Science.gov (United States)

    Purohit, Anirban; England, Jennifer K; Douma, Lauren G; Tondnevis, Farzaneh; Bloom, Linda B; Levitus, Marcia

    2017-08-22

    Sliding clamps are ring-shaped oligomeric proteins that encircle DNA and associate with DNA polymerases for processive DNA replication. The dimeric Escherichia coli β-clamp is closed in solution but must adopt an open conformation to be assembled onto DNA by a clamp loader. To determine what factors contribute to the stability of the dimer interfaces in the closed conformation and how clamp dynamics contribute to formation of the open conformation, we identified conditions that destabilized the dimer and measured the effects of these conditions on clamp dynamics. We characterized the role of electrostatic interactions in stabilizing the β-clamp interface. Increasing salt concentration results in decreased dimer stability and faster subunit dissociation kinetics. The equilibrium dissociation constant of the dimeric clamp varies with salt concentration as predicted by simple charge-screening models, indicating that charged amino acids contribute to the remarkable stability of the interface at physiological salt concentrations. Mutation of a charged residue at the interface (Arg-103) weakens the interface significantly, whereas effects are negligible when a hydrophilic (Ser-109) or a hydrophobic (Ile-305) amino acid is mutated instead. It has been suggested that clamp opening by the clamp loader takes advantage of spontaneous opening-closing fluctuations at the clamp's interface, but our time-resolved fluorescence and fluorescence correlation experiments rule out conformational fluctuations that lead to a significant fraction of open states. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  19. Effective Electrostatic Interactions Between Two Overall Neutral Surfaces with Quenched Charge Heterogeneity Over Atomic Length Scale

    Science.gov (United States)

    Zhou, S.

    2017-12-01

    the salt ion; whereas if the 1:1 type electrolyte and the symmetrical patterns are considered, then the opposite may be the case. All of these findings can be explained self-consistently from several perspectives: an excess adsorption of the salt ions (induced by the surface charge separation) serving to raise the osmotic pressure between the plates, configuration fine-tuning in the thinner ion adsorption layer driven by the energy decrease principle, direct Coulombic interactions operating between charged objects on the two face-to-face plates involved, and net charge strength in the ion adsorption layer responsible for the net electrostatic repulsion.

  20. Pattern Formation in Langmuir Monolayers Due to Long-Range Electrostatic Interactions

    Science.gov (United States)

    Fischer, Thomas M.; Lösche, Mathias

    A distinctive characteristic of Langmuir monolayers that bears important consequences for the physics of structure formation within membranes is the uniaxial orientation of the constituent dipolar molecules, brought about by the symmetry break which is induced by the surface of the aqueous substrate. The association of oriented molecular dipoles with the interface leads to the formation of image dipoles within the polarizeable medium - the subphase - such that the effective dipole orientation of every of the individual molecules is strictly normal to the surface, even within molecularly disordered phases. As a result, dipole-dipole repulsions play an eminently important role for the molecular interactions within the system - independent of the state of phase (while the dipole area density does of course depend on the state of phase) - and control the morphogenesis of the phase boundaries in their interplay with the one-dimensional (1D) line tension between coexisting phases. The physics of these phenomena is only now being explored and is particularly exciting for systems within a three-phase coexistence region where complete or partial wetting, as well as dewetting between the coexisting phases may be experimentally observed by applying fluorescence microscopy to the monolayer films. It is revealed that the wetting behavior depends sensitively on the details of the electrostatic interactions, in that the apparent contact angles observed at three-phase contact points depends on the sizes of the coexisting phases. This is in sharp contrast to the physics of wetting in conventional 3D systems where the contact angle is a materials property, independent of the local details. In 3D systems, this leads to Youngs equation - which has been established more than two centuries ago. We report recent progress in the understanding of this unusual and rather unexpected behavior of a quasi-2D system by reviewing recent experimental results from optical microscopy on equilibrium

  1. High-energy strong interactions: from `hard' to `soft'

    Science.gov (United States)

    Ryskin, M. G.; Martin, A. D.; Khoze, V. A.

    2011-04-01

    We discuss the qualitative features of the recent data on multiparticle production observed at the LHC. The tolerable agreement with Monte Carlos based on LO DGLAP evolution indicates that there is no qualitative difference between `hard' and `soft' interactions; and that a perturbative QCD approach may be extended into the soft domain. However, in order to describe the data, these Monte Carlos need an additional infrared cutoff k min with a value k min ˜2-3 GeV which is not small, and which increases with collider energy. Here we explain the physical origin of the large k min . Using an alternative model which matches the `soft' high-energy hadron interactions smoothly on to perturbative QCD at small x, we demonstrate that this effective cutoff k min is actually due to the strong absorption of low k t partons. The model embodies the main features of the BFKL approach, including the diffusion in transverse momenta, ln k t , and an intercept consistent with resummed next-to-leading log corrections. Moreover, the model uses a two-channel eikonal framework, and includes the contributions from the multi-Pomeron exchange diagrams, both non-enhanced and enhanced. The values of a small number of physically-motivated parameters are chosen to reproduce the available total, elastic and proton dissociation cross section (pre-LHC) data. Predictions are made for the LHC, and the relevance to ultra-high-energy cosmic rays is briefly discussed. The low x inclusive integrated gluon PDF, and the diffractive gluon PDF, are calculated in this framework, using the parameters which describe the high-energy pp and pbar{p} ` soft' data. Comparison with the PDFs obtained from the global parton analyses of deep inelastic and related hard scattering data and from diffractive deep inelastic data looks encouraging.

  2. Selective adsorption of norfloxacin in aqueous media by an imprinted polymer based on hydrophobic and electrostatic interactions.

    Science.gov (United States)

    Xu, Zhifeng; Kuang, Daizhi; Liu, Lan; Deng, Qinying

    2007-09-21

    Based on hydrophobic and electrostatic interactions, a norfloxacin (NOF) imprinted polymer (P1) was prepared by the combined use of bismethacryloyl-beta-cyclodextrin (BMA-beta-CD) and 2-(diethylamino)ethylmethacrylate (DEAEM) as functional monomers. Compared with the molecularly imprinted polymers (MIPs) using only BMA-beta-CD or DEAEM as a functional monomer, P2 and P3, respectively, P1 showed higher binding affinity and specificity for NOF in aqueous media. Scatchard plot analysis revealed that two classes of binding sites were formed in the imprinted polymer with dissociation constants of 0.32 micromol/ml and 1.19 micromol/ml, respectively. It demonstrated that the combination of hydrophobic effect and electrostatic interaction in molecular imprinting was essential for the improvement of the selective ability of the imprinted polymer. Factors that influenced rebinding of the imprinted polymer including pH, water content in the adsorbed solution were explored.

  3. The visibility of IQHE at sharp edges: experimental proposals based on interactions and edge electrostatics

    International Nuclear Information System (INIS)

    Erkarslan, U; Oylumluoglu, G; Grayson, M; Siddiki, A

    2012-01-01

    The influence of the incompressible strips on the integer quantized Hall effect (IQHE) is investigated, considering a cleaved-edge overgrown (CEO) sample as an experimentally realizable sharp edge system. We propose a set of experiments to clarify the distinction between the large-sample limit when bulk disorder defines the IQHE plateau width and the small-sample limit smaller than the disorder correlation length, when self-consistent edge electrostatics define the IQHE plateau width. The large-sample or bulk quantized Hall (QH) regime is described by the usual localization picture, whereas the small-sample or edge regime is discussed within the compressible/incompressible strips picture, known as the screening theory of QH edges. Utilizing the unusually sharp edge profiles of the CEO samples, a Hall bar design is proposed to manipulate the edge potential profile from smooth to extremely sharp. By making use of a side-gate perpendicular to the two-dimensional electron system, it is shown that the plateau widths can be changed or even eliminated altogether. Hence, the visibility of IQHE is strongly influenced when adjusting the edge potential profile and/or changing the dc current direction under high currents in the nonlinear transport regime. As a second investigation, we consider two different types of ohmic contacts, namely highly transmitting (ideal) and highly reflecting (non-ideal) contacts. We show that if the injection contacts are non-ideal, but still ohmic, it is possible to measure directly the non-quantized transport taking place at the bulk of the CEO samples. The results of the experiments we propose will clarify the influence of the edge potential profile and the quality of the contacts, under QH conditions. (paper)

  4. Theoretical & Experimental Research in Weak, Electromagnetic & Strong Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Nandi, Satyanarayan [Oklahoma State Univ., Stillwater, OK (United States); Babu, Kaladi [Oklahoma State Univ., Stillwater, OK (United States); Rizatdinova, Flera [Oklahoma State Univ., Stillwater, OK (United States); Khanov, Alexander [Oklahoma State Univ., Stillwater, OK (United States); Haley, Joseph [Oklahoma State Univ., Stillwater, OK (United States)

    2015-09-17

    The conducted research spans a wide range of topics in the theoretical, experimental and phenomenological aspects of elementary particle interactions. Theory projects involve topics in both the energy frontier and the intensity frontier. The experimental research involves energy frontier with the ATLAS Collaboration at the Large Hadron Collider (LHC). In theoretical research, novel ideas going beyond the Standard Model with strong theoretical motivations were proposed, and their experimental tests at the LHC and forthcoming neutrino facilities were outlined. These efforts fall into the following broad categories: (i) TeV scale new physics models for LHC Run 2, including left-right symmetry and trinification symmetry, (ii) unification of elementary particles and forces, including the unification of gauge and Yukawa interactions, (iii) supersummetry and mechanisms of supersymmetry breaking, (iv) superworld without supersymmetry, (v) general models of extra dimensions, (vi) comparing signals of extra dimensions with those of supersymmetry, (vii) models with mirror quarks and mirror leptons at the TeV scale, (viii) models with singlet quarks and singlet Higgs and their implications for Higgs physics at the LHC, (ix) new models for the dark matter of the universe, (x) lepton flavor violation in Higgs decays, (xi) leptogenesis in radiative models of neutrino masses, (xii) light mediator models of non-standard neutrino interactions, (xiii) anomalous muon decay and short baseline neutrino anomalies, (xiv) baryogenesis linked to nucleon decay, and (xv) a new model for recently observed diboson resonance at the LHC and its other phenomenological implications. The experimental High Energy Physics group has been, and continues to be, a successful and productive contributor to the ATLAS experiment at the LHC. Members of the group performed search for gluinos decaying to stop and top quarks, new heavy gauge bosons decaying to top and bottom quarks, and vector-like quarks

  5. Effective Field Theories and Strong Interactions. Final Technical Report

    International Nuclear Information System (INIS)

    Fleming, Sean

    2011-01-01

    The framework of Effective Field Theories (EFTs) allows us to describe strong interactions in terms of degrees of freedom relevant to the energy regimes of interest, in the most general way consistent with the symmetries of QCD. Observables are expanded systematically in powers of M lo /M hi , where M lo (M hi ) denotes a low-(high-)energy scale. This organizational principle is referred to as 'power counting'. Terms of increasing powers in the expansion parameter are referred to as leading order (LO), next-to-leading order (NLO), etc. Details of the QCD dynamics not included explicitly are encoded in interaction parameters, or 'low-energy constants' (LECs), which can in principle be calculated from an explicit solution of QCD - for example via lattice simulations- but can also be determined directly from experimental data. QCD has an intrinsic scale M QCD ≅ 1 GeV, at which the QCD coupling constant α s (M QCD ) becomes large and the dynamics becomes non-perturbative. As a consequence M QCD sets the scale for the masses of most hadrons, such as the nucleon mass m N ≅ 940 MeV. EFTs can roughly be divided into two categories: those that can be matched onto QCD in perturbation theory, which we call high-energy EFTs, and those that cannot be matched perturbatively, which we call low-energy EFTs. In high-energy EFTs, M QCD typically sets the low-energy scale, and all the dynamics associated with this scale reside in matrix elements of EFT operators. These non-perturbative matrix elements are the LECs and are also referred to as long-distance contributions. Each matrix element is multiplied by a short-distance coefficient, which contains the dynamics from the high scale M hi . Since M hi >> M QCD , α s (M hi ) hi ∼ M Q , the heavy-quark mass, and in addition to M QCD there are low scales associated with the typical relative momentum ∼ M Q v and energy ∼ M Q v 2 of the heavy quarks. Depending on the sizes of M Q and the heavy-quark velocity v these scales can

  6. Strongly interacting matter at high densities with a soliton model

    Science.gov (United States)

    Johnson, Charles Webster

    1998-12-01

    One of the major goals of modern nuclear physics is to explore the phase diagram of strongly interacting matter. The study of these 'extreme' conditions is the primary motivation for the construction of the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory which will accelerate nuclei to a center of mass (c.m.) energy of about 200 GeV/nucleon. From a theoretical perspective, a test of quantum chromodynamics (QCD) requires the expansion of the conditions examined from one phase point to the entire phase diagram of strongly-interacting matter. In the present work we focus attention on what happens when the density is increased, at low excitation energies. Experimental results from the Brookhaven Alternating Gradient Synchrotron (AGS) indicate that this regime may be tested in the 'full stopping' (maximum energy deposition) scenario achieved at the AGS having a c.m. collision energy of about 2.5 GeV/nucleon for two equal- mass heavy nuclei. Since the solution of QCD on nuclear length-scales is computationally prohibitive even on today's most powerful computers, progress in the theoretical description of high densities has come through the application of models incorporating some of the essential features of the full theory. The simplest such model is the MIT bag model. We use a significantly more sophisticated model, a nonlocal confining soliton model developed in part at Kent. This model has proven its value in the calculation of the properties of individual mesons and nucleons. In the present application, the many-soliton problem is addressed with the same model. We describe nuclear matter as a lattice of solitons and apply the Wigner-Seitz approximation to the lattice. This means that we consider spherical cells with one soliton centered in each, corresponding to the average properties of the lattice. The average density is then varied by changing the size of the Wigner-Seitz cell. To arrive at a solution, we need to solve a coupled set of

  7. Interaction effects in a microscopic quantum wire model with strong spin-orbit interaction

    Science.gov (United States)

    Winkler, G. W.; Ganahl, M.; Schuricht, D.; Evertz, H. G.; Andergassen, S.

    2017-06-01

    We investigate the effect of strong interactions on the spectral properties of quantum wires with strong Rashba spin-orbit (SO) interaction in a magnetic field, using a combination of matrix product state and bosonization techniques. Quantum wires with strong Rashba SO interaction and magnetic field exhibit a partial gap in one-half of the conducting modes. Such systems have attracted wide-spread experimental and theoretical attention due to their unusual physical properties, among which are spin-dependent transport, or a topological superconducting phase when under the proximity effect of an s-wave superconductor. As a microscopic model for the quantum wire we study an extended Hubbard model with SO interaction and Zeeman field. We obtain spin resolved spectral densities from the real-time evolution of excitations, and calculate the phase diagram. We find that interactions increase the pseudo gap at k = 0 and thus also enhance the Majorana-supporting phase and stabilize the helical spin order. Furthermore, we calculate the optical conductivity and compare it with the low energy spiral Luttinger liquid result, obtained from field theoretical calculations. With interactions, the optical conductivity is dominated by an excotic excitation of a bound soliton-antisoliton pair known as a breather state. We visualize the oscillating motion of the breather state, which could provide the route to their experimental detection in e.g. cold atom experiments.

  8. Electrostatic interactions between polyglutamic acid and polylysine yields stable polyion complex micelles for deoxypodophyllotoxin delivery

    Directory of Open Access Journals (Sweden)

    Wang Y

    2017-10-01

    indicated that the interaction of anionic and cationic charged polyionic segments could be an effective strategy to control drug release and to improve the stability of polymer-based nanocarriers. Keywords: polyion complex micelles, electrostatic interaction, oligopeptide, stability, pharmacokinetics

  9. The colours of strong interaction; L`interaction forte sous toutes ses couleurs

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-12-31

    The aim of this session is to draw a consistent framework about the different ways to consider strong interaction. A large part is dedicated to theoretical work and the latest experimental results obtained at the first electron collider HERA are discussed. (A.C.)

  10. Electrostatic Forces as Dominant Interactions Between Proteins and Polyanions: an ESI MS Study of Fibroblast Growth Factor Binding to Heparin Oligomers

    Science.gov (United States)

    Minsky, Burcu Baykal; Dubin, Paul L.; Kaltashov, Igor A.

    2017-04-01

    The interactions between fibroblast growth factors (FGFs) and their receptors (FGFRs) are facilitated by heparan sulfate (HS) and heparin (Hp), highly sulfated biological polyelectrolytes. The molecular basis of FGF interactions with these polyelectrolytes is highly complex due to the structural heterogeneity of HS/Hp, and many details still remain elusive, especially the significance of charge density and minimal chain length of HS/Hp in growth factor recognition and multimerization. In this work, we use electrospray ionization mass spectrometry (ESI MS) to investigate the association of relatively homogeneous oligoheparins (octamer, dp8, and decamer, dp10) with acidic fibroblast growth factor (FGF-1). This growth factor forms 1:1, 2:1, and 3:1 protein/heparinoid complexes with both dp8 and dp10, and the fraction of bound protein is highly dependent on protein/heparinoid molar ratio. Multimeric complexes are preferentially formed on the highly sulfated Hp oligomers. Although a variety of oligomers appear to be binding-competent, there is a strong correlation between the affinity and the overall level of sulfation (the highest charge density polyanions binding FGF most strongly via multivalent interactions). These results show that the interactions between FGF-1 and Hp oligomers are primarily directed by electrostatics, and also demonstrate the power of ESI MS as a tool to study multiple binding equilibria between proteins and structurally heterogeneous polyanions.

  11. Interaction of neutral particles with strong laser fields

    Energy Technology Data Exchange (ETDEWEB)

    Meuren, Sebastian; Keitel, Christoph H.; Di Piazza, Antonino [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany)

    2013-07-01

    Since the invention of the laser in the 1960s the experimentally available field strengths have continuously increased. The current peak intensity record is 2 x 10{sup 22} W/cm{sup 2} and next generation facilities such as ELI, HiPER and XCELS plan to reach even intensities of the order of 10{sup 24} W/cm{sup 2}. Thus, modern laser facilities are a clean source for very strong external electromagnetic fields and promise new and interesting high-energy physics experiments. In particular, strong laser fields could be used to test non-linear effects in quantum field theory. Earlier we have investigated how radiative corrections modify the coupling of a charged particle inside a strong plane-wave electromagnetic background field. However, a charged particle couples already at tree level to electromagnetic radiation. Therefore, we have now analyzed how the coupling between neutral particles and radiation is affected by a very strong plane-wave electromagnetic background field, when loop corrections are taken into account. In particular, the case of neutrinos is discussed.

  12. Intensities and strong interaction attenuation of kaonic x-rays

    CERN Document Server

    Backenstoss, Gerhard; Koch, H; Povel, H P; Schwitter, A; Tauscher, Ludwig

    1974-01-01

    Relative intensities of numerous kaonic X-ray transitions have been measured for the elements C, P, S, and Cl, from which level widths due to the strong K-nucleus absorption have been determined. From these and earlier published data, optical potential parameters have been derived and possible consequences on the nuclear matter distribution are discussed. (10 refs).

  13. Dynamical fermion mass generation by a strong Yukawa interaction

    Czech Academy of Sciences Publication Activity Database

    Brauner, Tomáš; Hošek, Jiří

    2005-01-01

    Roč. 72, č. 4 (2005), 045007 ISSN 0556-2821 R&D Projects: GA MŠk LA 080; GA ČR(CZ) GD202/05/H003 Institutional research plan: CEZ:AV0Z10480505 Keywords : dynamical mass generation * Yukawa interaction Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 4.852, year: 2005

  14. Gauge theories of weak, electromagnetic and strong interactions

    International Nuclear Information System (INIS)

    Boehm, M.; Joos, H.

    1978-05-01

    This 10 lectures are devided into the chapters: Phenomenological basis of the quantum chromodynamics, phenomenology of weak interactions, quantum electrodynamics and gauge invariance, from the fermimodel to the quantum flavor dynamics, on the quantum theory of yang-mills-fields, spontaneous symmetry breaking - the Higgs-Kibble-mechanism, the Salam-Weinberg-model, asymptotic freedom, quark confinement and charmonium. (WL) [de

  15. Physics Performance Report for PANDA : Strong Interaction Studies with Antiprotons

    NARCIS (Netherlands)

    Erni, W.; Keshelashvili, I.; Krusche, B.; Steinacher, M.; Heng, Y.; Liu, Z.; Liu, H.; Shen, X.; Wang, O.; Xu, H.; Becker, J.; Feldbauer, F.; Heinsius, F. -H.; Held, T.; Koch, H.; Kopf, B.; Pelizaeus, M.; Schroeder, T.; Steinke, M.; Wiedner, U.; Zhong, J.; Bianconi, A.; Bragadireanu, M.; Pantea, D.; Tudorache, A.; Tudorache, V.; De Napoli, M.; Giacoppo, F.; Raciti, G.; Rapisarda, E.; Sfienti, C.; Bialkowski, E.; Budzanowski, A.; Czech, B.; Kistryn, M.; Kliczewski, S.; Kozela, A.; Kulessa, P.; Pysz, K.; Schaefer, W.; Siudak, R.; Szczurek, A.; Czy. zycki, W.; Domagala, M.; Hawryluk, M.; Lisowski, E.; Lisowski, F.; Wojnar, L.; Gil, D.; Hawranek, P.; Kamys, B.; Kistryn, St.; Korcyl, K.; Krzemien, W.; Magiera, A.; Moskal, P.; Rudy, Z.; Salabura, P.; Smyrski, J.; Wronska, A.; Al-Turany, M.; Augustin, I.; Deppe, H.; Flemming, H.; Gerl, J.; Goetzen, K.; Hohler, R.; Lehmann, D.; Lewandowski, B.; Luehning, J.; Maas, F.; Mishra, D.; Orth, H.; Peters, K.; Saito, T.; Schepers, G.; Schmidt, C. J.; Schmitt, L.; Schwarz, C.; Voss, B.; Wieczorek, P.; Wilms, A.; Brinkmann, K. -T.; Freiesleben, H.; Jaekel, R.; Kliemt, R.; Wuerschig, T.; Zaunick, H. -G.; Abazov, V. M.; Alexeev, G.; Arefiev, A.; Astakhov, V. I.; Barabanov, M. Yu.; Batyunya, B. V.; Davydov, Yu. I.; Dodokhov, V. Kh.; Efremov, A. A.; Fedunov, A. G.; Feshchenko, A. A.; Galoyan, A. S.; Grigoryan, S.; Karmokov, A.; Koshurnikov, E. K.; Kudaev, V. Ch.; Lobanov, V. I.; Lobanov, Yu. Yu.; Makarov, A. F.; Malinina, L. V.; Malyshev, V. L.; Mustafaev, G. A.; Olshevski, A.; . Pasyuk, M. A.; Perevalova, E. A.; Piskun, A. A.; Pocheptsov, T. A.; Pontecorvo, G.; Rodionov, V. K.; Rogov, Yu. N.; Salmin, R. A.; Samartsev, A. G.; Sapozhnikov, M. G.; Shabratova, A.; Shabratova, G. S.; Skachkova, A. N.; Skachkov, N. B.; Strokovsky, E. A.; Suleimanov, M. K.; Teshev, R. Sh.; Tokmenin, V. V.; Uzhinsky, V. V.; Vodopianov, A. S.; Zaporozhets, S. A.; Zhuravlev, N. I.; Zorin, A. G.; Branford, D.; Foehl, K.; Glazier, D.; Watts, D.; Woods, P.; Eyrich, W.; Lehmann, A.; Teufel, A.; Dobbs, S.; Metreveli, Z.; Seth, K.; Tann, B.; Tomaradze, A.; Bettoni, D.; Carassiti, V.; Cecchi, A.; Dalpiaz, P.; Fioravanti, E.; Garzia, I.; Negrini, M.; Savri`e, M.; Stancari, G.; Dulach, B.; Gianotti, P.; Guaraldo, C.; Lucherini, V.; Pace, E.; Bersani, A.; Macri, M.; Marinelli, M.; Parodi, R. F.; Brodski, I.; Doering, W.; Drexler, P.; Dueren, M.; Gagyi-Palffy, Z.; Hayrapetyan, A.; Kotulla, M.; Kuehn, W.; Lange, S.; Liu, M.; Metag, V.; Nanova, M.; Novotny, R.; Salz, C.; Schneider, J.; Schoenmeier, P.; Schubert, R.; Spataro, S.; Stenzel, H.; Strackbein, C.; Thiel, M.; Thoering, U.; Yang, S.; Clarkson, T.; Cowie, E.; Downie, E.; Hill, G.; Hoek, M.; Ireland, D.; Kaiser, R.; Keri, T.; Lehmann, I.; Livingston, K.; Lumsden, S.; MacGregor, D.; McKinnon, B.; Murray, M.; Protopopescu, D.; Rosner, G.; Seitz, B.; Yang, G.; Babai, M.; Biegun, A. K.; Bubak, A.; Guliyev, E.; Suyam Jothi, Vanniarajan; Kavatsyuk, M.; Loehner, H.; Messchendorp, J.; Smit, H.; van der Weele, J. C.; Garcia, F.; Riska, D. -O.; Buescher, M.; Dosdall, R.; Dzhygadlo, R.; Gillitzer, A.; Grunwald, D.; Jha, V.; Kemmerling, G.; Kleines, H.; Lehrach, A.; Maier, R.; Mertens, M.; Ohm, H.; Prasuhn, D.; Randriamalala, T.; Ritman, J.; Roeder, M.; Stockmanns, T.; Wintz, P.; Wuestner, P.; Kisiel, J.; Li, S.; Li, Z.; Sun, Z.; Xu, H.; Fissum, S.; Hansen, K.; Isaksson, L.; Lundin, M.; Schroeder, B.; Achenbach, P.; Mora Espi, M. C.; Pochodzalla, J.; Sanchez, S.; Sanchez-Lorente, A.; Dormenev, V. I.; Fedorov, A. A.; Korzhik, M. V.; Missevitch, O. V.; Balanutsa, V.; Chernetsky, V.; Demekhin, A.; Dolgolenko, A.; Fedorets, P.; Gerasimov, A.; Goryachev, V.; Boukharov, A.; Malyshev, O.; Marishev, I.; Semenov, A.; Hoeppner, C.; Ketzer, B.; Konorov, I.; Mann, A.; Neubert, S.; Paul, S.; Weitzel, Q.; Khoukaz, A.; Rausmann, T.; Taeschner, A.; Wessels, J.; Varma, R.; Baldin, E.; Kotov, K.; Peleganchuk, S.; Tikhonov, Yu.; Boucher, J.; Hennino, T.; Kunne, R.; Ong, S.; Pouthas, J.; Ramstein, B.; Rosier, P.; Sudol, M.; Van de Wiele, J.; Zerguerras, T.; Dmowski, K.; Korzeniewski, R.; Przemyslaw, D.; Slowinski, B.; Boca, G.; Braghieri, A.; Costanza, S.; Fontana, A.; Genova, P.; Lavezzi, L.; Montagna, P.; Rotondi, A.; Belikov, N. I.; Davidenko, A. M.; Derevschikov, A. A.; Goncharenko, Y. M.; Grishin, V. N.; Kachanov, V. A.; Konstantinov, D. A.; Kormilitsin, V. A.; Kravtsov, V. I.; Matulenko, Y. A.; Melnik, Y. M.; Meschanin, A. P.; Minaev, N. G.; Mochalov, V. V.; Morozov, D. A.; Nogach, L. V.; Nurushev, S. B.; Ryazantsev, A. V.; Semenov, P. A.; Soloviev, L. F.; Uzunian, A. V.; Vasiliev, A. N.; Yakutin, A. E.; Baeck, T.; Cederwall, B.; Bargholtz, C.; Geren, L.; Tegner, P. E.; Belostotski, S.; Gavrilov, G.; Itzotov, A.; Kisselev, A.; Kravchenko, P.; Manaenkov, S.; Miklukho, O.; Naryshkin, Y.; Veretennikov, D.; Vikhrov, V.; Zhadanov, A.; Fava, L.; Panzieri, D.; Alberto, D.; Amoroso, A.; Botta, E.; Bressani, T.; Bufalino, S.; Bussa, M. P.; Busso, L.; De Mori, F.; Destefanis, M.; Ferrero, L.; Grasso, A.; Greco, M.; Kugathasan, T.; Maggiora, M.; Marcello, S.; Serbanut, G.; Sosio, S.; Bertini, R.; Calvo, D.; Coli, S.; De Remigis, P.; Feliciello, A.; Filippi, A.; Giraudo, G.; Mazza, G.; Rivetti, A.; Szymanska, K.; Tosello, F.; Wheadon, R.; Morra, O.; Agnello, M.; Iazzi, F.; Szymanska, K.; Birsa, R.; Bradamante, F.; Bressan, A.; Martin, A.; Clement, H.; Ekstroem, C.; Calen, H.; Grape, S.; Hoeistad, B.; Johansson, T.; Kupsc, A.; Marciniewski, P.; Thome, E.; Zlomanczuk, J.; Diaz, J.; Ortiz, A.; Borsuk, S.; Chlopik, A.; Guzik, Z.; Kopec, J.; Kozlowski, T.; Melnychuk, D.; Plominski, M.; Szewinski, J.; Traczyk, K.; Zwieglinski, B.; Buehler, P.; Gruber, A.; Kienle, P.; Marton, J.; Widmann, E.; Zmeskal, J.; Lutz, M. F. M.; Pire, B.; Scholten, O.; Timmermans, R.

    To study fundamental questions of hadron and nuclear physics in interactions of antiprotons with nucleons and nuclei, the universal PANDA detector will be built. Gluonic excitations, the physics of strange and charm quarks and nucleon structure studies will be performed with unprecedented accuracy

  16. Coulomb plus strong interaction bound states - momentum space numerical solutions

    International Nuclear Information System (INIS)

    Heddle, D.P.; Tabakin, F.

    1985-01-01

    The levels and widths of hadronic atoms are calculated in momentum space using an inverse algorithm for the eigenvalue problem. The Coulomb singularity is handled by the Lande substraction method. Relativistic, nonlocal, complex hadron-nucleus interactions are incorporated as well as vacuum polarization and finite size effects. Coordinate space wavefunctions are obtained by employing a Fourier Bessel transformation. (orig.)

  17. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    Electrostatic Potentials of Atoms, Ions and Molecules. Shridhar R Gadre and Pravin K Bhadane. 1 Part 1 - Basic Principles,. Resonance, Vol.4, No.2, 11-19,. 1999. Electrostatic Potential (ESP) generated by a chemical species is widely used as a tool for exploring its properties and locating potential sites for interaction with ...

  18. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    For an excellent summary of the field of supramolecular chemistry, readers are referred to the article by J-M Lehn in Resonance, VaLl,. No.3, p.39, 1996. Electrostatics plays an important role in weak intermolecular interactions. The present series is aimed at understanding these electrostatic aspects. This article presents the.

  19. Quantum memory with strong and controllable Rydberg-level interactions.

    Science.gov (United States)

    Li, Lin; Kuzmich, A

    2016-11-21

    Realization of distributed quantum systems requires fast generation and long-term storage of quantum states. Ground atomic states enable memories with storage times in the range of a minute, however their relatively weak interactions do not allow fast creation of non-classical collective states. Rydberg atomic systems feature fast preparation of singly excited collective states and their efficient mapping into light, but storage times in these approaches have not yet exceeded a few microseconds. Here we demonstrate a system that combines fast quantum state generation and long-term storage. An initially prepared coherent state of an atomic memory is transformed into a non-classical collective atomic state by Rydberg-level interactions in less than a microsecond. By sheltering the quantum state in the ground atomic levels, the storage time is increased by almost two orders of magnitude. This advance opens a door to a number of quantum protocols for scalable generation and distribution of entanglement.

  20. Hadron yields and the phase diagram of strongly interacting matter

    CERN Document Server

    Floris, Michele

    2014-01-01

    This paper presents a brief review of the interpretation of measurements of hadron yields in hadronic interactions within the framework of thermal models, over a broad energy range (from SIS to LHC energies, $\\sqrt{s_{NN}} \\simeq$ 2.5 GeV -- 5 TeV). Recent experimental results and theoretical developments are reported, with an emphasis on topics discussed during the Quark Matter 2014 conference.

  1. Theoretical studies in weak, electromagnetic and strong interactions. Attachments

    International Nuclear Information System (INIS)

    Nandi, S.

    1999-01-01

    The project covered a wide area of current research in theoretical high-energy physics. This included Standard Model (SM) as well as physics beyond the Standard Model. Specific topics included supersymmetry (SUSY), perturbative quantum chromodynamics (QCD), a new weak interaction for the third family (called topflavor), neutrino masses and mixings, topcolor model, Pade approximation, and its application to perturbative QCD and other physical processes

  2. Role of electrostatic interactions in determining the G-quadruplex structures

    Science.gov (United States)

    Lee, Jinkeong; Im, Haeri; Chong, Song-Ho; Ham, Sihyun

    2018-02-01

    We investigate the energetics of the antiparallel, hybrid and parallel type G-quadruplex structures of the human telomere DNA sequence. We find that both the conformational energy and solvation free energy of these structures are roughly inversely proportional to their radii of gyration. We rationalize this finding in terms of the dominance of the electrostatic contributions. We also show that the solvation free energy is more significant than the conformational energy in determining the G-quadruplex structures, which is in contrast to the canonical B-DNA structures. Our work will contribute to an understanding of the molecular mechanisms dictating various G-quadruplex topologies.

  3. Muons probe strong hydrogen interactions with defective graphene.

    Science.gov (United States)

    Riccò, Mauro; Pontiroli, Daniele; Mazzani, Marcello; Choucair, Mohammad; Stride, John A; Yazyev, Oleg V

    2011-11-09

    Here, we present the first muon spectroscopy investigation of graphene, focused on chemically produced, gram-scale samples, appropriate to the large muon penetration depth. We have observed an evident muon spin precession, usually the fingerprint of magnetic order, but here demonstrated to originate from muon-hydrogen nuclear dipolar interactions. This is attributed to the formation of CHMu (analogous to CH(2)) groups, stable up to 1250 K where the signal still persists. The relatively large signal amplitude demonstrates an extraordinary hydrogen capture cross section of CH units. These results also rule out the formation of ferromagnetic or antiferromagnetic order in chemically synthesized graphene samples.

  4. Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.

    Science.gov (United States)

    Kornev, Alexander N; Sushev, Vyacheslav V; Zolotareva, Natalia V; Baranov, Evgenii V; Fukin, Georgy K; Abakumov, Gleb A

    2015-12-18

    The interaction of azobenzene with lithium dicyclohexylamide (Cy2NLi) in THF or Et2O afforded the ion-radical salt of azobenzene (1) structurally characterized for the first time and dicyclohexylaminyl radical, which begins a novel chain of transformations leading eventually to the imino-enamido lithium complex (3). Benzalaniline, being a relative of azobenzene, reacted with Cy2NLi without electron transfer by a proton-abstraction mechanism to form the dilithium salt of N(1),N(2),1,2-tetraphenylethene-1,2-diamine quantitatively.

  5. Spin effects in strong-field laser-electron interactions

    International Nuclear Information System (INIS)

    Ahrens, S; Bauke, H; Müller, T-O; Villalba-Chávez, S; Müller, C

    2013-01-01

    The electron spin degree of freedom can play a significant role in relativistic scattering processes involving intense laser fields. In this contribution we discuss the influence of the electron spin on (i) Kapitza-Dirac scattering in an x-ray laser field of high intensity, (ii) photo-induced electron-positron pair production in a strong laser wave and (iii) multiphoton electron-positron pair production on an atomic nucleus. We show that in all cases under consideration the electron spin can have a characteristic impact on the process properties and their total probabilities. To this end, spin-resolved calculations based on the Dirac equation in the presence of an intense laser field are performed. The predictions from Dirac theory are also compared with the corresponding results from the Klein-Gordon equation.

  6. Strongly-interacting mirror fermions at the LHC

    Directory of Open Access Journals (Sweden)

    Triantaphyllou George

    2017-01-01

    Full Text Available The introduction of mirror fermions corresponding to an interchange of leftwith right-handed fermion quantum numbers of the Standard Model can lead to a model according to which the BEH mechanism is just an effective manifestation of a more fundamental theory while the recently-discovered Higgs-like particle is composite. This is achieved by a non-abelian gauge symmetry encompassing three mirror-fermion families strongly coupled at energies near 1 TeV. The corresponding non-perturbative dynamics lead to dynamical mirror-fermion masses between 0.14 - 1.2 TeV. Furthermore, one expects the formation of composite states, i.e. “mirror mesons”, with masses between 0.1 and 3 TeV. The number and properties of the resulting new degrees of freedom lead to a rich and interesting phenomenology, part of which is analyzed in the present work.

  7. A non-linear theory of strong interactions

    International Nuclear Information System (INIS)

    Skyrme, T.H.R.

    1994-01-01

    A non-linear theory of mesons, nucleons and hyperons is proposed. The three independent fields of the usual symmetrical pseudo-scalar pion field are replaced by the three directions of a four-component field vector of constant length, conceived in an Euclidean four-dimensional isotopic spin space. This length provides the universal scaling factor, all other constants being dimensionless; the mass of the meson field is generated by a φ 4 term; this destroys the continuous rotation group in the iso-space, leaving a 'cubic' symmetry group. Classification of states by this group introduces quantum numbers corresponding to isotopic spin and to 'strangeness'; one consequences is that, at least in elementary interactions, charge is only conserved module 4. Furthermore, particle states have not a well-defined parity, but parity is effectively conserved for meson-nucleon interactions. A simplified model, using only two dimensions of space and iso-space, is considered further; the non-linear meson field has solutions with particle character, and an indication is given of the way in which the particle field variables might be introduced as collective co-ordinates describing the dynamics of these particular solutions of the meson field equations, suggesting a unified theory based on the meson field alone. (author). 7 refs

  8. Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations

    Energy Technology Data Exchange (ETDEWEB)

    McIntosh, Lawrence P., E-mail: mcintosh@chem.ubc.ca; Naito, Daigo; Baturin, Simon J.; Okon, Mark; Joshi, Manish D. [University of British Columbia, Department of Biochemistry and Molecular Biology, Department of Chemistry, and Michael Smith Laboratories, Life Sciences Centre (Canada); Nielsen, Jens E. [University College Dublin, School of Biomolecular and Biomedical Science, Centre for Synthesis and Chemical Biology, UCD Conway Institute (Ireland)

    2011-09-15

    NMR-monitored pH titration curves of proteins provide a rich source of structural and electrostatic information. Although relatively straightforward to measure, interpreting pH-dependent chemical shift changes to obtain site-specific acid dissociation constants (pK{sub A} values) is challenging. In order to analyze the biphasic titrations exhibited by the side chain {sup 13}C{sup {gamma}} nuclei of the nucleophilic Glu78 and general acid/base Glu172 in Bacillus circulans xylanase, we have revisited the formalism for the ionization equilibria of two coupled acidic residues. In general, fitting NMR-monitored pH titration curves for such a system will only yield the two macroscopic pK{sub A} values that reflect the combined effects of both deprotonation reactions. However, through the use of mutations complemented with ionic strength-dependent measurements, we are able to extract the four microscopic pK{sub Ai} values governing the branched acid/base equilibria of Glu78 and Glu172 in BcX. These data, confirmed through theoretical calculations, help explain the pH-dependent mechanism of this model GH11 xylanase by demonstrating that the kinetically determined pK{sub A} values and hence catalytic roles of these two residues result from their electrostatic coupling.

  9. Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations

    International Nuclear Information System (INIS)

    McIntosh, Lawrence P.; Naito, Daigo; Baturin, Simon J.; Okon, Mark; Joshi, Manish D.; Nielsen, Jens E.

    2011-01-01

    NMR-monitored pH titration curves of proteins provide a rich source of structural and electrostatic information. Although relatively straightforward to measure, interpreting pH-dependent chemical shift changes to obtain site-specific acid dissociation constants (pK A values) is challenging. In order to analyze the biphasic titrations exhibited by the side chain 13 C γ nuclei of the nucleophilic Glu78 and general acid/base Glu172 in Bacillus circulans xylanase, we have revisited the formalism for the ionization equilibria of two coupled acidic residues. In general, fitting NMR-monitored pH titration curves for such a system will only yield the two macroscopic pK A values that reflect the combined effects of both deprotonation reactions. However, through the use of mutations complemented with ionic strength-dependent measurements, we are able to extract the four microscopic pK Ai values governing the branched acid/base equilibria of Glu78 and Glu172 in BcX. These data, confirmed through theoretical calculations, help explain the pH-dependent mechanism of this model GH11 xylanase by demonstrating that the kinetically determined pK A values and hence catalytic roles of these two residues result from their electrostatic coupling.

  10. Magnetic dynamics of weakly and strongly interacting hematite nanoparticles

    DEFF Research Database (Denmark)

    Hansen, Mikkel Fougt; Bender Koch, Christian; Mørup, Steen

    2000-01-01

    The magnetic dynamics of two differently treated samples of hematite nanoparticles from the same batch with a particle size of about 20 nm have been studied by Mossbauer spectroscopy. The dynamics of the first sample, in which the particles are coated and dispersed in water, is in accordance.......3(-0.8)(+1.0) x 10(-10) s for a rotation of the sublattice magnetization directions in the rhombohedral (111) plane. The corresponding median superparamagnetic blocking temperature is about 150 K. The dynamics of the second, dry sample, in which the particles are uncoated and thus allowed to aggregate, is slowed...... down by interparticle interactions and a magnetically split spectrum is retained at room temperature. The temperature variation or the magnetic hyperfine field, corresponding to different quantiles in the hyperfine field distribution, can be consistently described by a mean field model...

  11. Light and neutron scattering study of strongly interacting ionic micelles

    International Nuclear Information System (INIS)

    Degiorgio, V.; Corti, M.; Piazza, R.

    1989-01-01

    Dilute solutions of ionic micelles formed by biological glycolipids (gangliosides) have been investigated at various ionic strengths by static and dynamic light scaterring and by small-angle neutron scattering. The size and shape of the micelle is not appreciably affected by the added salt concentration in the range 0-100 mM NaCL. From the measured intensity of scattered light we derive the electric charge Z of the micelle by fitting the data to a theoretical calculation which uses a screened Coulomb potential for the intermicellar interaction, and the hypernetted chain approximation for the calculation of the radial distribution function. The correlation function derived from dynamic light scattering shows the long time contribution typical of concentrated polydisperse systems (author). 15 refs.; 6 figs

  12. Strong delayed interactive effects of metal exposure and warming

    DEFF Research Database (Denmark)

    Debecker, Sara; Dinh, Khuong Van; Stoks, Robby

    2017-01-01

    As contaminants are often more toxic at higher temperatures, predicting their impact under global warming remains a key challenge for ecological risk assessment. Ignoring delayed effects, synergistic interactions between contaminants and warming, and differences in sensitivity across species......’ ranges could lead to an important underestimation of the risks. We addressed all three mechanisms by studying effects of larval exposure to zinc and warming before, during, and after metamorphosis in Ischnura elegans damselflies from high- and lowlatitude populations. By integrating these mechanisms...... was especially remarkable in high-latitude animals, as they appeared almost insensitive to zinc during the larval stage. Second, the well-known synergism between metals and warming was manifested not only during the larval stage but also after metamorphosis, yet notably only in low-latitude damselflies...

  13. Natural Cold Baryogenesis from Strongly Interacting Electroweak Symmetry Breaking

    CERN Document Server

    Konstandin, Thomas

    2011-01-01

    The mechanism of "cold electroweak baryogenesis" has been so far unpopular because its proposal has relied on the ad-hoc assumption of a period of hybrid inflation at the electroweak scale with the Higgs acting as the waterfall field. We argue here that cold baryogenesis can be naturally realized without the need to introduce any slow-roll potential. Our point is that composite Higgs models where electroweak symmetry breaking arises via a strongly first-order phase transition provide a well-motivated framework for cold baryogenesis. In this case, reheating proceeds by bubble collisions and we argue that this can induce changes in Chern-Simons number, which in the presence of new sources of CP violation commonly lead to baryogenesis. We illustrate this mechanism using as a source of CP violation an effective dimension-six operator which is free from EDM constraints, another advantage of cold baryogenesis compared to the standard theory of electroweak baryogenesis. Our results are general as they do not rely on...

  14. Exact tensor network ansatz for strongly interacting systems

    Science.gov (United States)

    Zaletel, Michael P.

    It appears that the tensor network ansatz, while not quite complete, is an efficient coordinate system for the tiny subset of a many-body Hilbert space which can be realized as a low energy state of a local Hamiltonian. However, we don't fully understand precisely which phases are captured by the tensor network ansatz, how to compute their physical observables (even numerically), or how to compute a tensor network representation for a ground state given a microscopic Hamiltonian. These questions are algorithmic in nature, but their resolution is intimately related to understanding the nature of quantum entanglement in many-body systems. For this reason it is useful to compute the tensor network representation of various `model' wavefunctions representative of different phases of matter; this allows us to understand how the entanglement properties of each phase are expressed in the tensor network ansatz, and can serve as test cases for algorithm development. Condensed matter physics has many illuminating model wavefunctions, such as Laughlin's celebrated wave function for the fractional quantum Hall effect, the Bardeen-Cooper-Schrieffer wave function for superconductivity, and Anderson's resonating valence bond ansatz for spin liquids. This thesis presents some results on exact tensor network representations of these model wavefunctions. In addition, a tensor network representation is given for the time evolution operator of a long-range one-dimensional Hamiltonian, which allows one to numerically simulate the time evolution of power-law interacting spin chains as well as two-dimensional strips and cylinders.

  15. Study of the interaction of atoms with strong laser fields

    International Nuclear Information System (INIS)

    Edwards, M.

    1984-01-01

    Three aspects of the interactions of atoms with high intensity laser fields were treated. All three were motivated by experiment. The first investigation was prompted by a recent experiment (Kruit et al. 1983) involving multiphoton ionization of Xe. In this experiment it was found that the photoelectron energy spectrum contained peaks that corresponded to the absorption of more than the minimum number of photons required to ionize the atom. A model approximation here showed good qualitative agreement with experiment. An experiment (Grove et al. 1977) designed to test a theoretical calculation of the dynamical Stark effect stimulated the second part of this thesis, namely: a study of how an adiabatically and near-adiabatically changing field intensity affects the resonance fluorescence spectrum of a two-level atom. It was found that there is an asymmetry in the spectrum for off-resonance excitation produced because the field turn-on repopulates the dressed state that is depopulated by spontaneous emission. The third part of this thesis was based on an experiment (Granneman and Van der Wiel 1976) that attempted to verify a perturbation calculation of the two-photon ionization cross section of Cs. A discrepancy of four orders of magnitude near a minimum in the cross section was found between theory and experiment. To explain this discrepancy it was suggested (Armstrong and Beers 1977) that the effective order of nonlinearity (k) for this process varied significantly around the minimum. This study involves a perturbation calculation of k. It was found that k varies rapidly around the minimum, and that this variation should be experimentally observable for laser intensities of the order of tens of GW cm -2

  16. Second Energy Variation for Heterogeneous Systems with Electrostatic and Magnetostatic Interaction

    Science.gov (United States)

    Greenfield, Michael; Greenfield, Pavel

    2017-10-01

    Systems carrying electric charges and magnetic dipoles are widespread in nature and applications. Variational principles and methods play key role in modelling these systems, and they have been developed for a couple of centuries (see, Landau, L.D. and Lifshitz, E.M. Electrodynamics of Continuous Media, Pergamon, 1963). Nonetheless, even a quick glance at the literature shows that the variational approach remains unfinished. In particular, in terms of calculus of variations, all the studies are based on the analysis of first energy variations (i.e., analysis of ponderomotive forces and conditions of equilibrium.) The analysis of the second variation, the cornerstone of the stability analysis, is not even touched in a systematic manner. We partially fixed this gap in (Grinfeld, M., Grinfeld, P., A Variational Approach to Electrostatics of Polarizable Heterogeneous Substances, Advances in Mathematical Physics, Article ID 659127, 2015). In this paper, we present corresponding results relating to the problems of plasma physics.

  17. Electrostatic instabilities, turbulence and fast ion interactions in the TORPEX device

    International Nuclear Information System (INIS)

    Fasoli, A; Burckel, A; Federspiel, L; Furno, I; Gustafson, K; Iraji, D; Labit, B; Loizu, J; Plyushchev, G; Ricci, P; Theiler, C; Diallo, A; Podesta, M; Mueller, S H; Poli, F

    2010-01-01

    Electrostatic turbulence, related structures and their effect on particle, heat and toroidal momentum transport are investigated in TORPEX simple magnetized plasmas using high-resolution diagnostics, control parameters, linear fluid models and nonlinear numerical simulations. The nature of the dominant instabilities is controlled by the value of the vertical magnetic field, B v , relative to that of the toroidal field, B T . For B v /B T > 3%, only ideal interchange instabilities are observed. A critical pressure gradient to drive the interchange instability is experimentally identified. Interchange modes give rise to blobs, radially propagating filaments of enhanced plasma pressure. Blob velocities and sizes are obtained from electrostatic probe measurements using pattern recognition methods. The observed values span a wide range and are described by a single analytical expression, from the small blob size regime in which the blob velocity is limited by cross-field ion polarization currents, to the large blob size regime in which the limitation to the blob velocity comes from parallel currents to the sheath. As a first attempt at controlling the blob dynamical properties, limiter configurations with varying angles between field lines and the conducting surface of the limiter are explored. Mach probe measurements clearly demonstrate a link between toroidal flows and blobs. To complement probe data, a fast framing camera and a movable gas puffing system are installed. Density and light fluctuations show similar signatures of interchange activity. Further developments of optical diagnostics, including an image intensifier and laser-induced fluorescence, are under way. The effect of interchange turbulence on fast ion phase space dynamics is studied using movable fast ion source and detector in scenarios for which the development from linear waves into blobs is fully characterized. A theory validation project is conducted in parallel with TORPEX experiments, based on

  18. Importance of electrostatic interactions in the association of intrinsically disordered histone chaperone Chz1 and histone H2A.Z-H2B.

    Directory of Open Access Journals (Sweden)

    Xiakun Chu

    Full Text Available Histone chaperones facilitate assembly and disassembly of nucleosomes. Understanding the process of how histone chaperones associate and dissociate from the histones can help clarify their roles in chromosome metabolism. Some histone chaperones are intrinsically disordered proteins (IDPs. Recent studies of IDPs revealed that the recognition of the biomolecules is realized by the flexibility and dynamics, challenging the century-old structure-function paradigm. Here we investigate the binding between intrinsically disordered chaperone Chz1 and histone variant H2A.Z-H2B by developing a structure-based coarse-grained model, in which Debye-Hückel model is implemented for describing electrostatic interactions due to highly charged characteristic of Chz1 and H2A.Z-H2B. We find that major structural changes of Chz1 only occur after the rate-limiting electrostatic dominant transition state and Chz1 undergoes folding coupled binding through two parallel pathways. Interestingly, although the electrostatic interactions stabilize bound complex and facilitate the recognition at first stage, the rate for formation of the complex is not always accelerated due to slow escape of conformations with non-native electrostatic interactions at low salt concentrations. Our studies provide an ionic-strength-controlled binding/folding mechanism, leading to a cooperative mechanism of "local collapse or trapping" and "fly-casting" together and a new understanding of the roles of electrostatic interactions in IDPs' binding.

  19. Interaction and dynamics of ambient water adlayers on graphite probed using AFM voltage nanolithography and electrostatic force microscopy

    International Nuclear Information System (INIS)

    Gowthami, T; Raina, Gargi; Kurra, Narendra

    2014-01-01

    In this work, we report the impact of the interaction and dynamics of increasing ambient water adlayers on etch patterns on a hydrophobic highly oriented pyrolytic graphite (HOPG) surface obtained using atomic force microscopy (AFM) voltage nanolithography in contact mode by applying a positive bias to the sample. The changes in the dimensions of the etch patterns were investigated as a function of the increasing number of water adlayers present on the HOPG, which is varied by changing the time interval since HOPG cleavage. Changes in the width of the etch patterns and the surrounding water droplets were monitored with time, using intermittent-contact-mode AFM. Electrostatic force microscopy (EFM) has been employed to study the charged nature of the etch patterns and the neighboring water film with time. The width of the etch patterns made on freshly cleaved HOPG shows an increase of ∼33% over 48 h, whereas nine-day-old cleaved HOPG shows a 79% increase over the same period. No changes in the dimensions are observed while imaging in a nitrogen atmosphere soon after lithography. In ambient conditions, the EFM phase shift of the patterns shows a large change of ∼84–88% over 30 h. This study demonstrates the effect of the stored electrostatic energy of a polarized ice-like water adlayer, resulting in changes in the dimensions of the etch patterns long after lithography, whereas liquid-like water droplets do not affect the etch patterns. (paper)

  20. The role of electrostatic interactions in the Streptococcus thermophilus adhesion on human erythrocytes in media with different 2:1 electrolyte concentration

    Directory of Open Access Journals (Sweden)

    О. І. Гордієнко

    2015-10-01

    Full Text Available In the two-stage sorption model at the first stage is mostly reversible attachment, while at the second irreversible stage molecular and cellular adhesion processes take place. An important factor, influencing the adhesion processes, is physical-chemical characteristics of the medium, in particular, the presence of divalent cations therein. The aim of this work is to assess the role of electrostatic component of the intercellular interactions in media with different 2:1 electrolyte concentration at the first reversible stage of adhesion and probability of further occurrence of specific binding. Electrostatic interactions play a decisive role in intercellular adhesion process. The obtained experimental results and theoretical calculations of the electrostatic interaction parameters once again confirmed the acceptability of a two-stage model of sorption and DLVO theory to describe a cell-cell adhesion.

  1. Comparing numerical and analytical approaches to strongly interacting two-component mixtures in one dimensional traps

    DEFF Research Database (Denmark)

    Bellotti, Filipe Furlan; Salami Dehkharghani, Amin; Zinner, Nikolaj Thomas

    2017-01-01

    We investigate one-dimensional harmonically trapped two-component systems for repulsive interaction strengths ranging from the non-interacting to the strongly interacting regime for Fermi-Fermi mixtures. A new and powerful mapping between the interaction strength parameters from a continuous...

  2. Precise Placement of Metallic Nanowires on a Substrate by Localized Electric Fields and Inter-Nanowire Electrostatic Interaction

    Directory of Open Access Journals (Sweden)

    U Hyeok Choi

    2017-10-01

    Full Text Available Placing nanowires at the predetermined locations on a substrate represents one of the significant hurdles to be tackled for realization of heterogeneous nanowire systems. Here, we demonstrate spatially-controlled assembly of a single nanowire at the photolithographically recessed region at the electrode gap with high integration yield (~90%. Two popular routes, such as protruding electrode tips and recessed wells, for spatially-controlled nanowire alignment, are compared to investigate long-range dielectrophoretic nanowire attraction and short-range nanowire-nanowire electrostatic interaction for determining the final alignment of attracted nanowires. Furthermore, the post-assembly process has been developed and tested to make a robust electrical contact to the assembled nanowires, which removes any misaligned ones and connects the nanowires to the underlying electrodes of circuit.

  3. Rational design of viscosity reducing mutants of a monoclonal antibody: hydrophobic versus electrostatic inter-molecular interactions.

    Science.gov (United States)

    Nichols, Pilarin; Li, Li; Kumar, Sandeep; Buck, Patrick M; Singh, Satish K; Goswami, Sumit; Balthazor, Bryan; Conley, Tami R; Sek, David; Allen, Martin J

    2015-01-01

    High viscosity of monoclonal antibody formulations at concentrations ≥100 mg/mL can impede their development as products suitable for subcutaneous delivery. The effects of hydrophobic and electrostatic intermolecular interactions on the solution behavior of MAB 1, which becomes unacceptably viscous at high concentrations, was studied by testing 5 single point mutants. The mutations were designed to reduce viscosity by disrupting either an aggregation prone region (APR), which also participates in 2 hydrophobic surface patches, or a negatively charged surface patch in the variable region. The disruption of an APR that lies at the interface of light and heavy chain variable domains, VH and VL, via L45K mutation destabilized MAB 1 and abolished antigen binding. However, mutation at the preceding residue (V44K), which also lies in the same APR, increased apparent solubility and reduced viscosity of MAB 1 without sacrificing antigen binding or thermal stability. Neutralizing the negatively charged surface patch (E59Y) also increased apparent solubility and reduced viscosity of MAB 1, but charge reversal at the same position (E59K/R) caused destabilization, decreased solubility and led to difficulties in sample manipulation that precluded their viscosity measurements at high concentrations. Both V44K and E59Y mutations showed similar increase in apparent solubility. However, the viscosity profile of E59Y was considerably better than that of the V44K, providing evidence that inter-molecular interactions in MAB 1 are electrostatically driven. In conclusion, neutralizing negatively charged surface patches may be more beneficial toward reducing viscosity of highly concentrated antibody solutions than charge reversal or aggregation prone motif disruption.

  4. Hyperspherical Treatment of Strongly-Interacting Few-Fermion Systems in One Dimension

    DEFF Research Database (Denmark)

    Volosniev, A. G.; Fedorov, D. V.; Jensen, A. S.

    2015-01-01

    We examine a one-dimensional two-component fermionic system in a trap, assuming that all particles have the same mass and interact through a strong repulsive zero-range force. First we show how a simple system of three strongly interacting particles in a harmonic trap can be treated using...

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

    Directory of Open Access Journals (Sweden)

    M. Hamelin

    2002-03-01

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

  6. Effect of electrostatic interactions on lubrication in polymeric and biological systems

    Science.gov (United States)

    Carrillo, Jan-Michael

    2012-02-01

    Many connective tissues, such as cartilage demonstrate excellent lubrication and wear characteristics. Cartilages in mammalian joints can withstand pressures of the order of ten atmospheres and have remarkably low friction coefficient in the range of 0.001-0.03. The surface of the cartilage is covered with bottle-brush-like polyelectrolyte layer consisting of glycoproteins. This brush layer, which faces a similar layer on the opposing cartilage, is sheared as two surfaces slide passing each other during joint motion. We have performed molecular dynamics simulations of charged and neutral bottle-brush macromolecules tethered to substrates to understand the role of the electrostatic and hydrodynamic coupling between brush layers on the lubricating properties in biological and polymeric systems. Glycoprotein layers were modeled as two opposing layers of highly charged bottle-brush macromolecules composed of Lennard-Jones particles grafted to a substrate. Simulations have shown that charged bottle-brush systems have lower friction under shear and weaker dependence of the disjoining pressure on substrate separation than neutral bottle-brush systems. This was explained by formation of lubricating layer with excess of counterions located in the middle between brush-bearing surfaces. In overlapping brush layers the disjoining pressure between brush-bearing surfaces is controlled by the bottle-brush bending rigidity. Under shear, the main deformation mode of the charged bottle-brush layers is associated with the bottle-brush backbone deformation resulting in backbone deformation ratio and shear viscosity being universal functions of the Weissenberg number. In the case of neutral bottle-brush systems there is coupling between backbone and side chain deformation. This violates universality in backbone deformation ratio and manifests itself in shear viscosity dependence on the shear rate. The shear viscosity as a function of the shear rate for the neutral bottle-brush systems

  7. Building a bio-based hydrogel via electrostatic and host-guest interactions for realizing dual-controlled release mechanism.

    Science.gov (United States)

    Han, Shuai; Wang, Ting; Yang, Li; Li, Bin

    2017-12-01

    Bio-based hydrogel containing cyclodextrins (CDs) is of a promising polymer material that could display many advantages including wide availability, sustainability, biocompatibility and biodegradability, especially the inherent encapsulation ability with hydrophobic substance. To obtain these, the electrostatic and host-guest interactions were introduced and a hydrogel with three-dimensional double network structures was built. For preparing a spherical biopolymer cage, hydroxyethyl cellulose (HEC) and modified chitosan (HACC) were cross-linked by a one-pot reaction. The existence of HACC in this hydrogel provides a positive charge core to attract negative host molecule of sulfobutylether-β-cyclodextrin (SEB-β-CD). The loading amount of SEB-β-CD were determined by the method of weight increment and photometric titration, respectively, and an average content of active SEB-β-CD in our prepared hydrogel is more than 50%, much higher than the grafting of CD on biopolymers materials through chemical reaction. By the host-guest interaction, hydrophobic molecule of PP could adsorb rapidly in our prepared hydrogel and sustain-release in aqueous solution. Through ion-exchange interaction, different negative ions were studied for obtaining a control release of SEB-β-CD, which is to achieve the purpose of rapid release of hydrophobic guest molecule. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Quantum magnetism in strongly interacting one-dimensional spinor Bose systems

    DEFF Research Database (Denmark)

    Salami Dehkharghani, Amin; Volosniev, A. G.; Lindgren, E. J.

    2015-01-01

    -range inter-species interactions much larger than their intra-species interactions and show that they have novel energetic and magnetic properties. In the strongly interacting regime, these systems have energies that are fractions of the basic harmonic oscillator trap quantum and have spatially separated...

  9. On the spectral properties of Dirac operators with electrostatic delta-shell interactions

    Czech Academy of Sciences Publication Activity Database

    Behrndt, J.; Exner, Pavel; Holzmann, M.; Lotoreichik, Vladimir

    2018-01-01

    Roč. 111, č. 3 (2018), s. 47-78 ISSN 0021-7824 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : Dirac operator * self-adjoint extension * shell interaction * spectral properties Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 1.802, year: 2016

  10. Direct electron and ion fluid computation of high electrostatic fields in dense inhomogeneous plasmas with subsequent nonlinear optical and dynamical laser interaction

    International Nuclear Information System (INIS)

    Lalousis, P.

    1984-01-01

    Nonthermal direct electrodynamic interaction between laser energy and a fully ionized plasma was studied. The particular emphasis is on the action of nonlinear forces, in which the optical electromagnetic fields act on the plasma electrons which then transfer their energy to the ions electrostatically. Instead of the usual single fluid model, the plasma is treated as two separate conducting fluids for electrons and ions, coupled by momentum and Coulomb interactions. The equations governing the two fluids are derived from first principles, and numerical algorithms for computing these equations are developed, enabling the plasma oscillatons to be resolved and studied. Fully ionized plasma expansion without laser irradiation is studied first numerically. Remarkable damping mechanisms by coupling to ion oscillations have been observed. Inhomogeneities in densities of the two fluids result in large electrostatic fields and double layers are generated. There is quite close agreement between numerically calculated electrostatic fields and analytical solutions. Laser interaction with fully ionized plasma is also studied numerically. The generation of cavitons is numerically observed, and it is inferred that laser plasma interactions produce very high electrostatic fields in the vicinity of cavitons. It is further shown that charge neutrality is not necessarily maintained in a caviton

  11. Cooperative interactions of unlike macromolecules: 3. NMR and theoretical study of the electrostatic coupling of sodium polyphosphates with diallyl(dimethyl)ammonium chloride - acrylamide copolymers

    Czech Academy of Sciences Publication Activity Database

    Kříž, Jaroslav; Dybal, Jiří; Dautzenberg, H.

    2001-01-01

    Roč. 105, č. 31 (2001), s. 7486-7493 ISSN 1089-5639 R&D Projects: GA AV ČR KSK2050602; GA MŠk LB98202 Institutional research plan: CEZ:AV0Z4050913 Keywords : cooperative interactions * macromolecules * electrostatic coupling Subject RIV: CC - Organic Chemistry Impact factor: 2.630, year: 2001

  12. Electrostatically enhanced FF interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study.

    Science.gov (United States)

    Bauzá, Antonio; Frontera, Antonio

    2016-07-27

    In this manuscript the ability of hydrogen and halogen bonding interactions, as well as metal coordination to enhance FF interactions involving fluorine substituted aromatic rings has been studied at the RI-MP2/def2-TZVPD level of theory. We have used 4-fluoropyridine, 4-fluorobenzonitrile, 3-(4-fluorophenyl)propiolonitrile and their respective meta derivatives as aromatic compounds. In addition, we have used HF and IF as hydrogen and halogen bond donors, respectively, and Ag(i) as the coordination metal. Furthermore, we have also used HF as an electron rich fluorine donor entity, thus establishing FF interactions with the above mentioned aromatic systems. Moreover, a CSD (Cambridge Structural Database) search has been carried out and some interesting examples have been found, highlighting the impact of FF interactions involving aromatic fluorine atoms in solid state chemistry. Finally, cooperativity effects between FF interactions and both hydrogen and halogen bonding interactions have been analyzed and compared. We have also used Bader's theory of "atoms in molecules" to further describe the cooperative effects.

  13. An examination of the electrostatic interactions between the N-terminal tail of the Brome Mosaic Virus coat protein and encapsidated RNAs.

    Science.gov (United States)

    Ni, Peng; Wang, Zhao; Ma, Xiang; Das, Nayaran Chandra; Sokol, Paul; Chiu, Wah; Dragnea, Bogdan; Hagan, Michael; Kao, C Cheng

    2012-06-22

    The coat protein of positive-stranded RNA viruses often contains a positively charged tail that extends toward the center of the capsid and interacts with the viral genome. Electrostatic interaction between the tail and the RNA has been postulated as a major force in virus assembly and stabilization. The goal of this work is to examine the correlation between electrostatic interaction and amount of RNA packaged in the tripartite Brome Mosaic Virus (BMV). Nanoindentation experiment using atomic force microscopy showed that the stiffness of BMV virions with different RNAs varied by a range that is 10-fold higher than that would be predicted by electrostatics. BMV mutants with decreased positive charges encapsidated lower amounts of RNA while mutants with increased positive charges packaged additional RNAs up to ∼900 nt. However, the extra RNAs included truncated BMV RNAs, an additional copy of RNA4, potential cellular RNAs, or a combination of the three, indicating that change in the charge of the capsid could result in several different outcomes in RNA encapsidation. In addition, mutant with specific arginines changed to lysines in the capsid also exhibited defects in the specific encapsidation of BMV RNA4. The experimental results indicate that electrostatics is a major component in RNA encapsidation but was unable to account for all of the observed effects on RNA encapsidation. Thermodynamic modeling incorporating the electrostatics was able to predict the approximate length of the RNA to be encapsidated for the majority of mutant virions, but not for a mutant with extreme clustered positive charges. Cryo-electron microscopy of virions that encapsidated an additional copy of RNA4 revealed that, despite the increase in RNA encapsidated, the capsid structure was minimally changed. These results experimentally demonstrated the impact of electrostatics and additional restraints in the encapsidation of BMV RNAs, which could be applicable to other viruses. Copyright

  14. Electrostatics of electron-hole interactions in van der Waals heterostructures

    Science.gov (United States)

    Cavalcante, L. S. R.; Chaves, A.; Van Duppen, B.; Peeters, F. M.; Reichman, D. R.

    2018-03-01

    The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed.

  15. Electrostatic interactions in finite systems treated with periodic boundary conditions: application to linear-scaling density functional theory.

    Science.gov (United States)

    Hine, Nicholas D M; Dziedzic, Jacek; Haynes, Peter D; Skylaris, Chris-Kriton

    2011-11-28

    We present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within density functional theory (DFT), with particular emphasis on linear-scaling (LS) DFT. Often, PBCs are not physically realistic but are an unavoidable consequence of the choice of basis set and the efficacy of using Fourier transforms to compute the Hartree potential. In such cases the effects of PBCs on the calculations need to be avoided, so that the results obtained represent the open rather than the periodic boundary. The very large systems encountered in LS-DFT make the demands of the supercell approximation for isolated systems more difficult to manage, and we show cases where the open boundary (infinite cell) result cannot be obtained from extrapolation of calculations from periodic cells of increasing size. We discuss, implement, and test three very different approaches for overcoming or circumventing the effects of PBCs: truncation of the Coulomb interaction combined with padding of the simulation cell, approaches based on the minimum image convention, and the explicit use of open boundary conditions (OBCs). We have implemented these approaches in the ONETEP LS-DFT program and applied them to a range of systems, including a polar nanorod and a protein. We compare their accuracy, complexity, and rate of convergence with simulation cell size. We demonstrate that corrective approaches within PBCs can achieve the OBC result more efficiently and accurately than pure OBC approaches.

  16. Strong CH/O interactions between polycyclic aromatic hydrocarbons and water: Influence of aromatic system size.

    Science.gov (United States)

    Veljković, Dušan Ž

    2018-03-01

    Energies of CH/O interactions between water molecule and polycyclic aromatic hydrocarbons with a different number of aromatic rings were calculated using ab initio calculations at MP2/cc-PVTZ level. Results show that an additional aromatic ring in structure of polycyclic aromatic hydrocarbons significantly strengthens CH/O interactions. Calculated interaction energies in optimized structures of the most stable tetracene/water complex is -2.27 kcal/mol, anthracene/water is -2.13 kcal/mol and naphthalene/water is -1.97 kcal/mol. These interactions are stronger than CH/O contacts in benzene/water complex (-1.44 kcal/mol) while CH/O contacts in tetracene/water complex are even stronger than CH/O contacts in pyridine/water complexes (-2.21 kcal/mol). Electrostatic potential maps for different polycyclic aromatic hydrocarbons were calculated and used to explain trends in the energies of interactions. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. Catalytic enantioselective addition of organoboron reagents to fluoroketones controlled by electrostatic interactions

    Science.gov (United States)

    Lee, Kyunga; Silverio, Daniel L.; Torker, Sebastian; Robbins, Daniel W.; Haeffner, Fredrik; van der Mei, Farid W.; Hoveyda, Amir H.

    2016-08-01

    Organofluorine compounds are central to modern chemistry, and broadly applicable transformations that generate them efficiently and enantioselectively are in much demand. Here we introduce efficient catalytic methods for the addition of allyl and allenyl organoboron reagents to fluorine-substituted ketones. These reactions are facilitated by readily and inexpensively available catalysts and deliver versatile and otherwise difficult-to-access tertiary homoallylic alcohols in up to 98% yield and >99:1 enantiomeric ratio. Utility is highlighted by a concise enantioselective approach to the synthesis of the antiparasitic drug fluralaner (Bravecto, presently sold as the racemate). Different forms of ammonium-organofluorine interactions play a key role in the control of enantioselectivity. The greater understanding of various non-bonding interactions afforded by these studies should facilitate the future development of transformations that involve fluoroorganic entities.

  18. Thymosin α1 Interacts with Hyaluronic Acid Electrostatically by Its Terminal Sequence LKEKK

    Directory of Open Access Journals (Sweden)

    Walter Mandaliti

    2017-10-01

    Full Text Available Thymosin α1 (Tα1, is a peptidic hormone, whose immune regulatory properties have been demonstrated both in vitro and in vivo and approved in different countries for treatment of several viral infections and cancers. Tα1 assumes a conformation in negative membranes upon insertion into the phosphatidylserine exposure as found in several pathologies and in apoptosis. These findings are in agreement with the pleiotropy of Tα1, which targets both normal and tumor cells, interacting with multiple cellular components, and have generated renewed interest in the topic. Hyaluronan (HA occurs ubiquitously in the extracellular matrix and on cell surfaces and has been related to a variety of diseases, and developmental and physiological processes. Proteins binding HA, among them CD44 and the Receptor for HA-mediated motility (RHAMM receptors, mediate its biological effects. NMR spectroscopy indicated preliminarily that an interaction of Tα1 with HA occurs specifically around lysine residues of the sequence LKEKK of Tα1 and is suggestive of a possible interference of Tα1 in the binding of HA with CD44 and RHAMM. Further studies are needed to deepen these observations because Tα1 is known to potentiate the T-cell immunity and anti-tumor effect. The binding inhibitory activity of Tα1 on HA-CD44 or HA-RHAMM interactions can suppress both T-cell reactivity and tumor progression.

  19. Thymosin α1 Interacts with Hyaluronic Acid Electrostatically by Its Terminal Sequence LKEKK.

    Science.gov (United States)

    Mandaliti, Walter; Nepravishta, Ridvan; Pica, Francesca; Vallebona, Paola Sinibaldi; Garaci, Enrico; Paci, Maurizio

    2017-10-27

    Thymosin α1 (Tα1), is a peptidic hormone, whose immune regulatory properties have been demonstrated both in vitro and in vivo and approved in different countries for treatment of several viral infections and cancers. Tα1 assumes a conformation in negative membranes upon insertion into the phosphatidylserine exposure as found in several pathologies and in apoptosis. These findings are in agreement with the pleiotropy of Tα1, which targets both normal and tumor cells, interacting with multiple cellular components, and have generated renewed interest in the topic. Hyaluronan (HA) occurs ubiquitously in the extracellular matrix and on cell surfaces and has been related to a variety of diseases, and developmental and physiological processes. Proteins binding HA, among them CD44 and the Receptor for HA-mediated motility (RHAMM) receptors, mediate its biological effects. NMR spectroscopy indicated preliminarily that an interaction of Tα1 with HA occurs specifically around lysine residues of the sequence LKEKK of Tα1 and is suggestive of a possible interference of Tα1 in the binding of HA with CD44 and RHAMM. Further studies are needed to deepen these observations because Tα1 is known to potentiate the T-cell immunity and anti-tumor effect. The binding inhibitory activity of Tα1 on HA-CD44 or HA-RHAMM interactions can suppress both T-cell reactivity and tumor progression.

  20. Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.

    Science.gov (United States)

    Katti, Sachin; Nyenhuis, Sarah B; Her, Bin; Srivastava, Atul K; Taylor, Alexander B; Hart, P John; Cafiso, David S; Igumenova, Tatyana I

    2017-06-27

    C2 domains are independently folded modules that often target their host proteins to anionic membranes in a Ca 2+ -dependent manner. In these cases, membrane association is triggered by Ca 2+ binding to the negatively charged loop region of the C2 domain. Here, we used a non-native metal ion, Cd 2+ , in lieu of Ca 2+ to gain insight into the contributions made by long-range Coulombic interactions and direct metal ion-lipid bridging to membrane binding. Using X-ray crystallography, NMR, Förster resonance energy transfer, and vesicle cosedimentation assays, we demonstrate that, although Cd 2+ binds to the loop region of C2A/B domains of synaptotagmin 1 with high affinity, long-range Coulombic interactions are too weak to support membrane binding of individual domains. We attribute this behavior to two factors: the stoichiometry of Cd 2+ binding to the loop regions of the C2A and C2B domains and the impaired ability of Cd 2+ to directly coordinate the lipids. In contrast, electron paramagnetic resonance experiments revealed that Cd 2+ does support membrane binding of the C2 domains in full-length synaptotagmin 1, where the high local lipid concentrations that result from membrane tethering can partially compensate for lack of a full complement of divalent metal ions and specific lipid coordination in Cd 2+ -complexed C2A/B domains. Our data suggest that long-range Coulombic interactions alone can drive the initial association of C2A/B with anionic membranes and that Ca 2+ further augments membrane binding by the formation of metal ion-lipid coordination bonds and additional Ca 2+ ion binding to the C2 domain loop regions.

  1. An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions.

    Science.gov (United States)

    Lin, Yuchun; Baumketner, Andrij; Deng, Shaozhong; Xu, Zhenli; Jacobs, Donald; Cai, Wei

    2009-10-21

    In this paper, a new solvation model is proposed for simulations of biomolecules in aqueous solutions that combines the strengths of explicit and implicit solvent representations. Solute molecules are placed in a spherical cavity filled with explicit water, thus providing microscopic detail where it is most needed. Solvent outside of the cavity is modeled as a dielectric continuum whose effect on the solute is treated through the reaction field corrections. With this explicit/implicit model, the electrostatic potential represents a solute molecule in an infinite bath of solvent, thus avoiding unphysical interactions between periodic images of the solute commonly used in the lattice-sum explicit solvent simulations. For improved computational efficiency, our model employs an accurate and efficient multiple-image charge method to compute reaction fields together with the fast multipole method for the direct Coulomb interactions. To minimize the surface effects, periodic boundary conditions are employed for nonelectrostatic interactions. The proposed model is applied to study liquid water. The effect of model parameters, which include the size of the cavity, the number of image charges used to compute reaction field, and the thickness of the buffer layer, is investigated in comparison with the particle-mesh Ewald simulations as a reference. An optimal set of parameters is obtained that allows for a faithful representation of many structural, dielectric, and dynamic properties of the simulated water, while maintaining manageable computational cost. With controlled and adjustable accuracy of the multiple-image charge representation of the reaction field, it is concluded that the employed model achieves convergence with only one image charge in the case of pure water. Future applications to pKa calculations, conformational sampling of solvated biomolecules and electrolyte solutions are briefly discussed.

  2. Electrostatic interactions govern both nucleation and elongation during phage P22 procapsid assembly

    International Nuclear Information System (INIS)

    Parent, Kristin N.; Doyle, Shannon M.; Anderson, Eric; Teschke, Carolyn M.

    2005-01-01

    Icosahedral capsid assembly is an example of a reaction controlled solely by the interactions of the proteins involved. Bacteriophage P22 procapsids can be assembled in vitro by mixing coat and scaffolding proteins in a nucleation-limited reaction, where scaffolding protein directs the proper assembly of coat protein. Here, we investigated the effect of the buffer composition on the interactions necessary for capsid assembly. Different concentrations of various salts, chosen to follow the electroselectivity series for anions, were added to the assembly reaction. The concentration and type of salt was found to be crucial for proper nucleation of procapsids. Nucleation in low salt concentrations readily occurred but led to bowl-like partial procapsids, as visualized by negative stain electron microscopy. The edge of the partial capsids remained assembly-competent since coat protein addition triggered procapsid completion. The addition of salt to the partial capsids also caused procapsid completion. In addition, each salt affected both assembly rates and the extent of procapsid formation. We hypothesize that low salt conditions increase the coat protein:scaffolding protein affinity, causing excessive nuclei to form, which decreases coat protein levels leading to incomplete assembly

  3. Effects of interaction imbalance in a strongly repulsive one-dimensional Bose gas

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Zinner, Nikolaj Thomas; Foerster, Angela

    2018-01-01

    We calculate the spatial distributions and the dynamics of a few-body two-component strongly interacting Bose gas confined to an effectively one-dimensional trapping potential. We describe the densities for each component in the trap for different interaction and population imbalances. We calculate...

  4. Effects of interaction imbalance in a strongly repulsive one-dimensional Bose gas

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Zinner, Nikolaj Thomas; Foerster, Angela

    2018-01-01

    We calculate the spatial distributions and the dynamics of a few-body two-component strongly interacting Bose gas confined to an effectively one-dimensional trapping potential. We describe the densities for each component in the trap for different interaction and population imbalances. We calcula...

  5. Interactions of the α-subunits of heterotrimeric G-proteins with GPCRs, effectors and RGS proteins: a critical review and analysis of interacting surfaces, conformational shifts, structural diversity and electrostatic potentials.

    Science.gov (United States)

    Baltoumas, Fotis A; Theodoropoulou, Margarita C; Hamodrakas, Stavros J

    2013-06-01

    G-protein coupled receptors (GPCRs) are one of the largest families of membrane receptors in eukaryotes. Heterotrimeric G-proteins, composed of α, β and γ subunits, are important molecular switches in the mediation of GPCR signaling. Receptor stimulation after the binding of a suitable ligand leads to G-protein heterotrimer activation and dissociation into the Gα subunit and Gβγ heterodimer. These subunits then interact with a large number of effectors, leading to several cell responses. We studied the interactions between Gα subunits and their binding partners, using information from structural, mutagenesis and Bioinformatics studies, and conducted a series of comparisons of sequence, structure, electrostatic properties and intermolecular energies among different Gα families and subfamilies. We identified a number of Gα surfaces that may, in several occasions, participate in interactions with receptors as well as effectors. The study of Gα interacting surfaces in terms of sequence, structure and electrostatic potential reveals features that may account for the Gα subunit's behavior towards its interacting partners. The electrostatic properties of the Gα subunits, which in some cases differ greatly not only between families but also between subfamilies, as well as the G-protein interacting surfaces of effectors and regulators of G-protein signaling (RGS) suggest that electrostatic complementarity may be an important factor in G-protein interactions. Energy calculations also support this notion. This information may be useful in future studies of G-protein interactions with GPCRs and effectors. Copyright © 2013 Elsevier Inc. All rights reserved.

  6. Micro-patterns of Au-SiO{sub 2} core-shell nanoparticles formed by electrostatic interactions

    Energy Technology Data Exchange (ETDEWEB)

    Qi Youli [State Key Laboratory of Solid Lubricate, Lanzhou Institute of Chemical Physics, Chinese Academy of Science, Lanzhou 730000 (China); Graduate University of Chinese Academy of Science, Beijing 100083 (China); Chen Miao [State Key Laboratory of Solid Lubricate, Lanzhou Institute of Chemical Physics, Chinese Academy of Science, Lanzhou 730000 (China)], E-mail: miaochen99@yahoo.com; Liang Shan [State Key Laboratory of Solid Lubricate, Lanzhou Institute of Chemical Physics, Chinese Academy of Science, Lanzhou 730000 (China); Graduate University of Chinese Academy of Science, Beijing 100083 (China); Yang Wu [College of Chemistry and Chemical Engineering of Northwest Normal University, Lanzhou 730070 (China); Zhao Jing [State Key Laboratory of Solid Lubricate, Lanzhou Institute of Chemical Physics, Chinese Academy of Science, Lanzhou 730000 (China); Graduate University of Chinese Academy of Science, Beijing 100083 (China)

    2008-01-15

    In this paper, silica-coated Au nanoparticles (Au-SiO{sub 2}) were prepared by the technique of vortex mixing. Subsequently, these monodisperse Au-SiO{sub 2} nanoparticles were functionalized by the silane reagents 3-aminopropyltriethoxysilane (APS) and 3-mercaptopropyltriethoxysilane (MPTS) respectively. Then, these NH{sub 2}-terminated and SO{sub 3}{sup 2-}-terminated Au-SiO{sub 2} nanoparticles were respectively assembled onto the substrates, which have been patterned with different self-assembly monolayers (SAMs), to form close-packed two-dimensional Au-SiO{sub 2} nanoparticle arrays by electrostatic interactions. The morphologies and the optical properties of Au-SiO{sub 2} nanoparticles with different silica-shell thicknesses were characterized by TEM and UV-vis. The compositions and zeta potentials of the functionalized Au-SiO{sub 2} nanoparticles were examined by X-ray photoelectron spectroscopy (XPS) and dynamic light scattering (DLS). The morphologies of the patterns formed on different templates were characterized by atomic force microscopy (AFM)

  7. Solvation of apolar compounds in protic ionic liquids: the non-synergistic effect of electrostatic interactions and hydrogen bonds.

    Science.gov (United States)

    Sedov, I A; Magsumov, T I; Salikov, T M; Solomonov, B N

    2017-09-27

    The solvation properties of protic ionic liquids such as alkylammonium salts are still virtually uncharacterized. Both electrostatic interactions between charged particles and hydrogen bond networks in a solvent are known to hinder the solubility of apolar species. Protic ionic liquids can be a priori expected to dissolve hydrocarbons worse than aprotic ionic liquids which do not form hydrogen bonds between the ions. We measured the limiting activity coefficients of several alkanes and alkylbenzenes in propylammonium and butylammonium nitrates at 298 K. Surprisingly, we observed the tendency of higher solubility than for the same compounds in aprotic ionic liquids with a similar molar volume. The calculations of the excess Gibbs free energies using test particle insertions into the snapshots of molecular dynamics trajectories reproduced lower values in protic rather than in aprotic ionic liquids for both methane molecules and hard sphere solutes. This can be explained by the favorable solvation of apolar species in the apolar domain of nanostructured PILs. For the first time, we point out at the essential difference between the solvation properties of two types of ionic liquids and prove that it arises from the cavity formation term.

  8. Exploring Strong Interactions in Proteins with Quantum Chemistry and Examples of Their Applications in Drug Design.

    Directory of Open Access Journals (Sweden)

    Neng-Zhong Xie

    Full Text Available Three strong interactions between amino acid side chains (salt bridge, cation-π, and amide bridge are studied that are stronger than (or comparable to the common hydrogen bond interactions, and play important roles in protein-protein interactions.Quantum chemical methods MP2 and CCSD(T are used in calculations of interaction energies and structural optimizations.The energies of three types of amino acid side chain interactions in gaseous phase and in aqueous solutions are calculated using high level quantum chemical methods and basis sets. Typical examples of amino acid salt bridge, cation-π, and amide bridge interactions are analyzed, including the inhibitor design targeting neuraminidase (NA enzyme of influenza A virus, and the ligand binding interactions in the HCV p7 ion channel. The inhibition mechanism of the M2 proton channel in the influenza A virus is analyzed based on strong amino acid interactions.(1 The salt bridge interactions between acidic amino acids (Glu- and Asp- and alkaline amino acids (Arg+, Lys+ and His+ are the strongest residue-residue interactions. However, this type of interaction may be weakened by solvation effects and broken by lower pH conditions. (2 The cation- interactions between protonated amino acids (Arg+, Lys+ and His+ and aromatic amino acids (Phe, Tyr, Trp and His are 2.5 to 5-fold stronger than common hydrogen bond interactions and are less affected by the solvation environment. (3 The amide bridge interactions between the two amide-containing amino acids (Asn and Gln are three times stronger than hydrogen bond interactions, which are less influenced by the pH of the solution. (4 Ten of the twenty natural amino acids are involved in salt bridge, or cation-, or amide bridge interactions that often play important roles in protein-protein, protein-peptide, protein-ligand, and protein-DNA interactions.

  9. Gauge unification of basic forces particularly of gravitation with strong interactions

    International Nuclear Information System (INIS)

    Salam, A.

    1977-01-01

    Corresponding to the two known types of gauge theories, Yang-Mills with spin-one mediating particles and Einstein Weyl with spin-two mediating particles, it is speculated that two distinct gauge unifications of the basic forces appear to be taking place. One is the familiar Yang-Mills unification of weak and electromagnetic forces with the strong. The second is the less familiar gauge unification of gravitation with spin-two tensor-dominated aspects of strong interactions. It is proposed that there are strongly interacting spin-two strong gravitons obeying Einstein's equations, and their existence gives a clue to an understanding of the (partial) confinement of quarks, as well as of the concept of hadronic temperature, through the use of Schwarzschild de-Sitter-like partially confining solitonic solutions of the strong gravity Einstein equation

  10. arXiv Recent results from the strong interactions program of NA61/SHINE

    CERN Document Server

    Pulawski, Szymon

    2017-01-01

    The NA61/SHINE experiment studies hadron production in hadron+hadron, hadron+nucleus and nucleus+nucleus collisions. The strong interactions program has two main purposes: study the properties of the onset of deconfinement and search for the signatures of the critical point of strongly interacting matter. This aim is pursued by performing a two-dimensional scan of the phase diagram by varying the energy/momentum (13A-158A GeV/c) and the system size (p+p, Be+Be, Ar+Sc, Xe+La) of the collisions. This publication reviews recent results from p+p, Be+Be and Ar+Sc interactions. Measured particle spectra are discussed and compared to NA49 results from Pb+Pb collisions. The results illustrate the progress towards scanning the phase diagram of strongly interacting matter.

  11. Application of a strong anion exchange material in electrostatic repulsion-hydrophilic interaction chromatography for selective enrichment of glycopeptides.

    Science.gov (United States)

    Cao, Liwei; Yu, Long; Guo, Zhimou; Li, Xiuling; Xue, Xinya; Liang, Xinmiao

    2013-07-19

    Glycoproteins are involved in various cellular activities, including inter- and extracellular signaling. However, glycopeptide signals are significantly suppressed by coeluting non-glycosylated peptides in mass spectrometry-based analysis. For detailed elucidation of the biological functions of glycoproteins, selective enrichment of glycopeptides from non-glycosylated peptides is crucial. In the present study, a SAX material, XCharge SAX, was used in a column in the ERLIC mode with the aim of specifically enriching glycopeptides. Enrichment conditions were initially optimized, and selectivity, glycosylation heterogeneity coverage and detection sensitivity of XCharge SAX were subsequently assessed. In the selectivity assessment, glycopeptides were effectively isolated from a peptide mixture (human serum immunoglobulin G (IgG) and human serum albumin digests) and a tryptic digest of human serum using XCharge SAX. In the evaluation of glycosylation heterogeneity coverage, five glycosites and eleven glycopeptides from horseradish peroxidase were identified after enrichment with XCharge SAX. In detection sensitivity assessment, glycopeptides within four orders of magnitude were identified after enrichment with XCharge SAX. In addition, volatile solvents were used in the loading and eluting buffers so that desalting was not necessary for ERLIC fractions. Our results collectively support the utility of XCharge SAX as a suitable chromatographic material for global glycosylation site analysis. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Strong excitonic interactions in the oxygen K-edge of perovskite oxides

    Energy Technology Data Exchange (ETDEWEB)

    Tomita, Kota; Miyata, Tomohiro [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan); Olovsson, Weine [Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Mizoguchi, Teruyasu, E-mail: teru@iis.u-tokyo.ac.jp [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan)

    2017-07-15

    Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO{sub 3}, SrTiO{sub 3}, and BaTiO{sub 3}, together with reference oxides, MgO, CaO, SrO, BaO, and TiO{sub 2}, were investigated using a first-principles Bethe–Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti–O–Ti bonds. - Highlights: • Excitonic interaction in oxygen-K edge is investigated. • Strong excitonic interaction is found in the oxygen-K edge of perovskite oxides. • The strong excitonic interaction is ascribed to the low-dimensional and confined electronic structure.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-10-28

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

  14. Spectral asymptotics of a strong δ′ interaction supported by a surface

    International Nuclear Information System (INIS)

    Exner, Pavel; Jex, Michal

    2014-01-01

    Highlights: • Attractive δ ′ interactions supported by a smooth surface are considered. • Surfaces can be either infinite and asymptotically planar, or compact and closed. • Spectral asymptotics is determined by the geometry of the interaction support. - Abstract: We derive asymptotic expansion for the spectrum of Hamiltonians with a strong attractive δ ′ interaction supported by a smooth surface in R 3 , either infinite and asymptotically planar, or compact and closed. Its second term is found to be determined by a Schrödinger type operator with an effective potential expressed in terms of the interaction support curvatures

  15. Precision determination of the strong interaction shift and width in pionic hydrogen

    International Nuclear Information System (INIS)

    Anagnostopoulos, D.F.; Covita, D.D.S.; Santos, J.M.F. dos; Veloso, J.F.C.A.; Fuhrmann, H.; Gruber, A.; Hirtl, A.; Ishiwatari, T.; Marton, J.; Schmid, P.; Zmeskal, J.; Gotta, D.; Hennebach, M.; Nekipelov, M.; Indelicato, P.; Jensen, T.; Bigot, E.O. Le; Trassinelli, M.; Simons, L.M.

    2005-01-01

    The new pionic hydrogen experiment at PSI aims at an improvement in the determination of the strong interaction ground state shift and width of the pionic hydrogen atom. High precision x-ray crystal spectroscopy is used to extract isospin separated scattering lengths with accuracies on the percent level. Compared to previous efforts, the energy resolution and statistics could be improved considerably and the background is much reduced. The response function of the Johann-type crystal spectrometer has been determined with a novel method with unprecedented accuracy. The inherent difficulties of the exotic atom's method result, from the fact that the formation of a sufficient amount of pionic hydrogen atoms requires a hydrogen target pressure of several bar at least. For the extraction of a strong interaction shift, an extrapolation method to vacuum conditions proved to be successful. This contribution mostly discusses the strategy to extract a result for the strong interaction width from the data.(author)

  16. Proceedings of the summer institute on particle physics: The strong interaction, from hadrons to partons

    International Nuclear Information System (INIS)

    Chan, J.; DePorcel, L.; Dixon, L.

    1997-06-01

    This conference explored the role of the strong interaction in the physics of hadrons and partons. The Institute attracted 239 physicists from 16 countries to hear lectures on the underlying theory of Quantum Chromodynamics, modern theoretical calculational techniques, and experimental investigation of the strong interaction as it appears in various phenomena. Different regimes in which one can calculate reliably in QCD were addressed in series of lectures on perturbation theory, lattice gauge theories, and heavy quark expansions. Studies of QCD in hadron-hadron collisions, electron-positron annihilation, and electron-proton collisions all give differing perspectives on the strong interaction--from low-x to high-Q 2 . Experimental understanding of the production and decay of heavy quarks as well as the lighter meson states has continued to evolve over the past years, and these topics were also covered at the School. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database

  17. Computational strong-field quantum dynamics intense light-matter interactions

    CERN Document Server

    2017-01-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time-dependent Schrödinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi-configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  18. Computational strong-field quantum dynamics. Intense light-matter interactions

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Dieter (ed.) [Rostock Univ. (Germany). Inst. fuer Physik

    2017-09-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  19. Lagrangian formulation for a gauge theory of strong and electromagnetic interactions defined on a Cartan bundle

    International Nuclear Information System (INIS)

    Drechsler, W.

    1977-01-01

    A Lagrangian formalism invariant under the gauge group U 1 xUSpsub(2.2) is set up in terms of spinor fields defined on a fiber bundle with Cartan connexion. The fiber of the Cartan bundle over space-time associated with strong interactions is characterized by an elementary length parameter R related to the range of the strong forces, and the structural group USpsub(2.2) of the bundle (being the covering group of the SOsub(4.1) de Sitter group) implies a gauge description of strong interactions based on the noncompact gauge group USpsub(2.2). The U 1 factor in the total gauge group corresponds to the usual gauge formulation for the electromagnetic interactions. The positivity of the energy associated with stable extended one-particle states in this dualistic description of charged hadronic matter immersed in the fiber geometry (this dualism is called strong fiber dynamics (SFD)) requires hadrons to be assigned to representations of the compact subgroup SU 2 xSU 2 of the strong-interaction gauge group USpsub(2.2). A brief discussion of the point-particle limit R→O is given by linking the presented SFD formalism for extended hadrons to an idealized description in terms of operators in a local quantum field theory

  20. Proceedings of Summer Institute of Particle Physics, July 27-August 7, 1981: the strong interactions

    Energy Technology Data Exchange (ETDEWEB)

    Mosher, A. (ed.)

    1982-01-01

    The ninth SLAC Summer Institute on Particle Physics was held in the period July 27 to August 7, 1981. The central topic was the strong interactions with the first seven days spent in a pedagogic mode and the last three in a topical conference. In addition to the morning lectures on experimental and theoretical aspects of the strong interactions, three were lectures on machine physics; this year it was electron-positron colliding beam machines, both storage rings and linear colliders. Twenty-three individual items from the meeting were prepared separately for the data base. (GHT)

  1. Strong interaction effects in high-Z K sup minus atoms

    Energy Technology Data Exchange (ETDEWEB)

    Batty, C.J.; Eckhause, M.; Gall, K.P.; Guss, P.P.; Hertzog, D.W.; Kane, J.R.; Kunselman, A.R.; Miller, J.P.; O' Brien, F.; Phillips, W.C.; Powers, R.J.; Roberts, B.L.; Sutton, R.B.; Vulcan, W.F.; Welsh, R.E.; Whyley, R.J.; Winter, R.G. (Rutherford-Appleton Laboratory, Chilton, Didcot OX11 0QX, United Kingdom (GB) College of William and Mary, Williamsburg, Virginia 23185 Boston University, Boston, Massachusetts 02215 University of Wyoming, Laramie, Wyoming 82071 California Institute of Technology, Pasadena, California 91125 Carnegie-Mellon University, Pittsburgh, Pennsylvania 15213)

    1989-11-01

    A systematic experimental study of strong interaction shifts, widths, and yields from high-{ital Z} kaonic atoms is reported. Strong interaction effects for the {ital K}{sup {minus}}(8{r arrow}7) transition were measured in U, Pb, and W, and the {ital K}{sup {minus}}(7{r arrow}6) transition in W was also observed. This is the first observation of two measurably broadened and shifted kaonic transitions in a single target and thus permitted the width of the upper state to be determined directly, rather than being inferred from yield data. The results are compared with optical-model calculations.

  2. Red-shifted carrier multiplication energy threshold and exciton recycling mechanisms in strongly interacting silicon nanocrystals.

    Science.gov (United States)

    Marri, Ivan; Govoni, Marco; Ossicini, Stefano

    2014-09-24

    We present density functional theory calculations of carrier multiplication properties in a system of strongly coupled silicon nanocrystals. Our results suggest that nanocrystal-nanocrystal interaction can lead to a reduction of the carrier multiplication energy threshold without altering the carrier multiplication efficiency at high energies, in agreement with experiments. The time evolution of the number of electron-hole pairs generated in a system of strongly interacting nanocrystals upon absorption of high-energy photons is analyzed by solving a system of coupled rate equations, where exciton recycling mechanisms are implemented. We reconsider the role played by Auger recombination which is here accounted also as an active, nondetrimental process.

  3. Experimental investigation of the impact of compound-specific dispersion and electrostatic interactions on transient transport and solute breakthrough

    Science.gov (United States)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2017-02-01

    This study investigates the effects of compound-specific diffusion/dispersion and electrochemical migration on transient solute transport in saturated porous media. We conducted laboratory bench-scale experiments, under advection-dominated regimes (seepage velocity: 0.5, 5, 25 m/d), in a quasi two-dimensional flow-through setup using pulse injection of multiple tracers (both uncharged and ionic species). Extensive sampling and measurement of solutes' concentrations (˜1500 samples; >3000 measurements) were performed at the outlet of the flow-through setup, at high spatial and temporal resolution. The experimental results show that compound-specific effects and charge-induced Coulombic interactions are important not only at low velocities and/or for steady state plumes but also for transient transport under high flow velocities. Such effects can lead to a remarkably different behavior of measured breakthrough curves also at very high Péclet numbers. To quantitatively interpret the experimental results, we used four modeling approaches: classical advection-dispersion equation (ADE), continuous time random walk (CTRW), dual-domain mass transfer model (DDMT), and a multicomponent ionic dispersion model. The latter is based on the multicomponent formulation of coupled diffusive/dispersive fluxes and was used to describe and explain the electrostatic effects of charged species. Furthermore, we determined experimentally the temporal profiles of the flux-related dilution index. This metric of mixing, used in connection with the traditional solute breakthrough curves, proved to be useful to correctly distinguish between plume spreading and mixing, particularly for the cases in which the sole analysis of integrated concentration breakthrough curves may lead to erroneous interpretation of plume dilution.

  4. Electrostatic accelerators

    CERN Document Server

    Hinterberger, F

    2006-01-01

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

  5. Engineering the Dynamics of Effective Spin-Chain Models for Strongly Interacting Atomic Gases

    DEFF Research Database (Denmark)

    Volosniev, A. G.; Petrosyan, D.; Valiente, M.

    2015-01-01

    We consider a one-dimensional gas of cold atoms with strong contact interactions and construct an effective spin-chain Hamiltonian for a two-component system. The resulting Heisenberg spin model can be engineered by manipulating the shape of the external confining potential of the atomic gas. We...

  6. Density functional theory for strongly-interacting electrons: Perspectives for Physics and Chemistry

    NARCIS (Netherlands)

    Gori Giorgi, P.; Seidl, M.

    2010-01-01

    Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three years, the mathematical structure of the strong-interaction

  7. Strong Coupling Asymptotics for a Singular Schrodinger Operator with an Interaction Supported by an Open Arc

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Pankrashkin, K.

    2014-01-01

    Roč. 39, č. 2 (2014), s. 193-212 ISSN 0360-5302 R&D Projects: GA ČR GAP203/11/0701 Institutional support: RVO:61389005 Keywords : Eigenvalue * Schrödinger operator * singular interaction * strong coupling * 35Q40 * 35P15 * 35J10 Subject RIV: BE - Theoretical Physics Impact factor: 1.013, year: 2014

  8. Spectral asymptotics of a strong delta ' interaction supported by a surface

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Jex, M.

    2014-01-01

    Roč. 378, 30-31 (2014), s. 2091-2095 ISSN 0375-9601 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : delta ' surface interaction * strong coupling expansion Subject RIV: BE - Theoretical Physics Impact factor: 1.683, year: 2014

  9. On eigenvalue asymptotics for strong delta-interactions supported by surfaces with boundaries

    Czech Academy of Sciences Publication Activity Database

    Dittrich, Jaroslav; Exner, Pavel; Kuhn, C.; Pankrashkin, K.

    2016-01-01

    Roč. 97, 1-2 (2016), s. 1-25 ISSN 0921-7134 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : singular Schrodinger operator * delta-interaction * strong coupling * eigenvalue Subject RIV: BE - Theoretical Physics Impact factor: 0.933, year: 2016

  10. Fractional energy states of strongly-interacting bosons in one dimension

    DEFF Research Database (Denmark)

    Zinner, Nikolaj Thomas; G. Volosniev, A.; V. Fedorov, D.

    2014-01-01

    We study two-component bosonic systems with strong inter-species and vanishing intra-species interactions. A new class of exact eigenstates is found with energies that are {\\it not} sums of the single-particle energies with wave functions that have the characteristic feature that they vanish over...

  11. Flavor changing strong interaction effects on top quark physics at the CERN LHC

    International Nuclear Information System (INIS)

    Ferreira, P.M.; Santos, R.; Oliveira, O.

    2006-01-01

    We perform a model independent analysis of the flavor changing strong interaction vertices relevant to the LHC. In particular, the contribution of dimension six operators to single top production in various production processes is discussed, together with possible hints for identifying signals and setting bounds on physics beyond the standard model

  12. Interaction of a neutral composite particle with a strong Coulomb field

    International Nuclear Information System (INIS)

    Wong, Cheuk-Yin.

    1988-01-01

    The author discusses the interaction of the quasi-composite (e/sup /plus//e/sup /minus//) system with an external electromagnetic field. This problem addresses the question of the origin of strong positron lines in quasi-elastic heavy-ion reactions. 3 refs

  13. Description of meson strong and electromagnetic interactions in quantum chiral theory

    International Nuclear Information System (INIS)

    Volkov, M.K.; Pervushin, V.N.

    1978-01-01

    Strong and electromagnetic interactions of mesons in the framework of the chiral theory are considered. The pion-pion scattering phases, the pion electromagnetic form factor, the mean squared radius of a K-meson, and the electric and magnetic polarizabilities of pions are calculated using the superpropagator method. The rho-meson mass, Msub(rho)=800 MeV, is calculated too

  14. Strongly interacting bosons in a one-dimensional optical lattice at incommensurate densities

    NARCIS (Netherlands)

    Lazarides, A.|info:eu-repo/dai/nl/315556668; Tieleman, O.|info:eu-repo/dai/nl/341386456; de Morais Smith, C.|info:eu-repo/dai/nl/304836346

    2011-01-01

    We investigate quantum phase transitions occurring in a system of strongly interacting ultracold bosons in a one-dimensional optical lattice. After discussing the commensurate-incommensurate transition, we focus on the phases appearing at an incommensurate filling. We find a rich phase diagram, with

  15. Stimulated adiabatic passage in a dissipative ensemble of atoms with strong Rydberg-state interactions

    DEFF Research Database (Denmark)

    Petrosyan, David; Molmer, Klaus

    2013-01-01

    We study two-photon excitation of Rydberg states of atoms under stimulated adiabatic passage with delayed laser pulses. We find that the combination of strong interaction between the atoms in Rydberg state and the spontaneous decay of the intermediate exited atomic state leads to the Rydberg...

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

    International Nuclear Information System (INIS)

    Kjellander, Roland

    2006-01-01

    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

  17. Fluorine Gauche Effect Explained by Electrostatic Polarization Instead of Hyperconjugation: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study.

    Science.gov (United States)

    Thacker, Joseph C R; Popelier, Paul L A

    2018-02-08

    We present an interacting quantum atoms (IQA) study of the gauche effect by comparing 1,2-difluoroethane, 1,2-dichloroethane, and three conformers of 1,2,3,4,5,6-hexafluorocyclohexane. In the 1,2-difluoroethane, the gauche effect is observed in that the gauche conformation is more stable than the anti, whereas in 1,2-dichloroethane the opposite is true. The analysis performed here is exhaustive and unbiased thanks to using the recently introduced relative energy gradient (REG) method [ Thacker , J. C. R. ; Popelier , P. L. A. Theor. Chem. Acc . 2017 , 136 , 86 ], as implemented in the in-house program ANANKE. We challenge the common explanation that hyperconjugation is responsible for the gauche stability in 1,2-difluoroethane and instead present electrostatics as the cause of gauche stability. Our explanation of the gauche effect is also is seen in other molecules displaying local gauche conformations, such as the recently synthesized "all-cis" hexafluorocyclohexane and its conformers where all the fluorine atoms are in the equatorial positions. Using our extension of the traditional IQA methodology that allows for the partitioning of electrostatic terms into polarization and charge transfer, we propose that the cause of gauche stability is 1,3 C···F electrostatic polarization interactions. In other words, if a number of fluorine atoms are aligned, then the stability due to polarization of nearby carbon atoms is increased.

  18. Multipolar electrostatics.

    Science.gov (United States)

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

    2014-06-14

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

  19. Computational Methods for Biomolecular Electrostatics

    Science.gov (United States)

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

    2008-01-01

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

  20. Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution.

    Science.gov (United States)

    Piquemal, Jean-Philip; Gresh, Nohad; Giessner-Prettre, Claude

    2003-12-04

    We have, within the framework of the molecular mechanics method SIBFA, improved the formulation of the Coulomb (electrostatic) energy contribution to the intermolecular interaction energy. This was done by integrating "overlap-like" terms into two components of the multipolar development used to calculate this contribution in SIBFA. The calibration of the new component is done on five water dimers by fitting this augmented electrostatic contribution to the corresponding Ec term. Several tests are done on (i) representative neutral and ionic hydrogen-bonded complexes; (ii) the complexes of metal cations (Cu(I) and Cu(II)) with a neutral or an anionic ligand; and (iii) a representative stacked complex. The improvement brought by the new formulation reduces the difference between the ab initio (Ec) and molecular mechanics (EMTP*) values by almost an order of magnitude when compared to the values of EMTP calculated using the standard method.

  1. The strong interaction in e+e- annihilation and deep inelastic scattering

    International Nuclear Information System (INIS)

    Samuelsson, J.

    1996-01-01

    Various aspects of strong interactions are considered. Correlation effects in the hadronization process in a string model are studied. A discrete approximation scheme to the perturbative QCD cascade in e + e - annihilation is formulated. The model, Discrete QCD, predicts a rather low phase space density of 'effective gluons'. This is related to the properties of the running coupling constant. It provides us with a simple tool for studies of the strong interaction. It is shown that it reproduces well-known properties of parton cascades. A new formalism for the Deep Inelastic Scattering (DIS) process is developed. The model which is called the Linked Dipole Chain Model provides an interpolation between regions of high Q 2 (DGLAP) and low x-moderate Q 2 (BFKL). It gives a unified treatment of the different interaction channels an a DIS process. 17 figs

  2. Strongly interacting dark matter: Self-interactions and keV lines

    Science.gov (United States)

    Boddy, Kimberly K.; Feng, Jonathan L.; Kaplinghat, Manoj; Shadmi, Yael; Tait, Timothy M. P.

    2014-11-01

    We consider a simple supersymmetric hidden sector: pure SU (N ) gauge theory. Dark matter is made up of hidden glueballinos with mass mX and hidden glueballs with mass near the confinement scale Λ . For mX˜1 TeV and Λ ˜100 MeV , the glueballinos freeze out with the correct relic density and self-interact through glueball exchange to resolve small-scale structure puzzles. An immediate consequence is that the glueballino spectrum has a hyperfine splitting of order Λ2/mX˜10 keV . We show that the radiative decays of the excited state can explain the observed 3.5 keV x-ray line signal from clusters of galaxies, Andromeda, and the Milky Way.

  3. Electrostatic analogy for symmetron gravity

    Science.gov (United States)

    Ogden, Lillie; Brown, Katherine; Mathur, Harsh; Rovelli, Kevin

    2017-12-01

    The symmetron model is a scalar-tensor theory of gravity with a screening mechanism that suppresses the effect of the symmetron field at high densities characteristic of the Solar System and laboratory scales but allows it to act with gravitational strength at low density on the cosmological scale. We elucidate the screening mechanism by showing that in the quasistatic Newtonian limit there are precise analogies between symmetron gravity and electrostatics for both strong and weak screening. For strong screening we find that large dense bodies behave in a manner analogous to perfect conductors in electrostatics. Based on this analogy we find that the symmetron field exhibits a lightning rod effect wherein the field gradients are enhanced near the ends of pointed or elongated objects. An ellipsoid placed in a uniform symmetron gradient is shown to experience a torque. By symmetry there is no gravitational torque in this case. Hence this effect unmasks the symmetron and might serve as the basis for future laboratory experiments. The symmetron force between a point mass and a large dense body includes a component corresponding to the interaction of the point mass with its image in the larger body. None of these effects have counterparts in the Newtonian limit of Einstein gravity. We discuss the similarities between symmetron gravity and the chameleon model as well as the differences between the two.

  4. Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme–substrate complex: influenza neuraminidase inhibition

    Energy Technology Data Exchange (ETDEWEB)

    Dominiak, Paulina M., E-mail: pdomin@chem.uw.edu.pl [Department of Chemistry, State University of New York at Buffalo, NY 14260 (United States); Department of Chemistry, University of Warsaw, ul. Pasteura 1, 02-093 Warszawa (Poland); Volkov, Anatoliy; Dominiak, Adam P. [Department of Chemistry, State University of New York at Buffalo, NY 14260 (United States); Jarzembska, Katarzyna N. [Department of Chemistry, University of Warsaw, ul. Pasteura 1, 02-093 Warszawa (Poland); Coppens, Philip, E-mail: pdomin@chem.uw.edu.pl [Department of Chemistry, State University of New York at Buffalo, NY 14260 (United States)

    2009-05-01

    The electrostatic component of the enzyme/inhibitor interaction of a wide range influenza neuraminidases and inhibitors has been analyzed using transferable aspherical-atom densities from a recently compiled databank. Results are subdivided into the contributions of individual active-site residues and different functional groups of the inhibitors, and the effect of the Arg292→Lys mutation is considered. Although electrostatic interactions contribute only a part of the interaction energies between macromolecules, unlike dispersion forces they are highly directional and therefore dominate the nature of molecular packing in crystals and in biological complexes and contribute significantly to differences in inhibition strength among related enzyme inhibitors. In the reported study, a wide range of complexes of influenza neuraminidases with inhibitor molecules (sialic acid derivatives and others) have been analyzed using charge densities from a transferable aspherical-atom data bank. The strongest interactions of the residues are with the acidic group at the C2 position of the inhibitor (∼−300 kJ mol{sup −1} for —COO{sup −} in non-aromatic inhibitors, ∼−120–210 kJ mol{sup −1} for —COO{sup −} in aromatic inhibitors and ∼−450 kJ mol{sup −1} for —PO{sub 3}{sup 2−}) and with the amino and guanidine groups at C4 (∼−250 kJ mol{sup −1}). Other groups contribute less than ∼100 kJ mol{sup −1}. Residues Glu119, Asp151, Glu227, Glu276 and Arg371 show the largest variation in electrostatic energies of interaction with different groups of inhibitors, which points to their important role in the inhibitor recognition. The Arg292→Lys mutation reduces the electrostatic interactions of the enzyme with the acidic group at C2 for all inhibitors that have been studied (SIA, DAN, 4AM, ZMR, G20, G28, G39 and BCZ), but enhances the interactions with the glycerol group at C6 for inhibitors that contain it. This is in agreement with the lower level

  5. Heavy quark mass effects and improved tests of the flavor independence of strong interactions

    Energy Technology Data Exchange (ETDEWEB)

    Burrows, P.N. [Univ. of Oxford (United Kingdom); SLD Collaboration

    1998-08-01

    A review is given of latest results on tests of the flavor independence of strong interactions. Heavy quark mass effects are evident in the data and are now taken into account at next-to-leading order in QCD perturbation theory. The strong-coupling ratios {alpha}{sub s}{sup b}/{alpha}{sub s}{sup uds} and {alpha}{sub s}{sup c}/{alpha}{sub s}{sup uds} are found to be consistent with unity. Determinations of the b-quark mass m{sub b} (M{sub Z}) are discussed.

  6. Strong field approximation within a Faddeev-like formalism for laser-matter interactions

    International Nuclear Information System (INIS)

    Popov, Y.; Galstyan, A.; Piraux, B.; Mota-Furtado, F.; O'Mahony, P.F.

    2017-01-01

    We consider the interaction of atomic hydrogen with an intense laser field within the strong-field approximation (SFA). By using a Faddeev-like formalism, we introduce a new perturbative series in the binding potential of the atom. As a first test of this new approach, we calculate the electron energy spectrum in the very simple case of a photon energy higher than the ionisation potential. We show that by contrast to the standard perturbative series in the binding potential obtained within the strong field approximation, the first terms of the new series converge rapidly towards the results we get by solving the corresponding time-dependent Schroedinger equation. (authors)

  7. Anomalous Josephson effect in semiconductor nanowire with strong spin-orbit interaction and Zeeman effect

    Science.gov (United States)

    Yokoyama, Tomohiro; Eto, Mikio; Nazarov, Yuli

    2014-03-01

    We theoretically investigate the Josephson junction using quasi-one dimensional semiconductor nanowires with strong spin-orbit (SO) interaction, e.g., InSb. First, we examine a simple model using a single scatterer to describe the elastic scattering due to impurities and SO interaction in the normal region.[1] The Zeeman effect is taken into account by the spin-dependent phase shift of electron and hole through the system. The interplay between SO interaction and Zeeman effect results in a finite supercurrent even when the phase difference between two superconductors is zero. Moreover, the critical current depends on its current direction if more than one conduction channel is present in the nanowire. Next, we perform a numerical simulation by the tight-binding model for the nanowire to confirm our simple model. Then, we show that a spin-dependent Fermi velocity due to the SO interaction causes the anomalous Josephson effect.

  8. Semiclassical quantization of integrable systems of few interacting anyons in a strong magnetic field

    International Nuclear Information System (INIS)

    Sivan, N.; Levit, S.

    1992-01-01

    We present a semiclassical theory of charged interacting anyons in a strong magnetic field. We derive the appropriate generalization of the WKB quantization conditions and determine the corresponding wave functions for non separable integrable anyonic systems. This theory is applies to a system of two interacting anyons, two interacting anyons in the presence of an impurity and three interacting anyons. We calculate the dependence of the semiclassical energy levels on the statistical parameter and find regions in which dependence follows very different patterns. The semiclassical treatment allows to find the correlation between these patterns and the change in the character of the classical motion of the system. We also test the accuracy of the mean field approximation for low and high energy states of the three anyons. (author)

  9. Study on physical and electrostatic interactions of counterions in poly(perfluorosulfonic) acid matrix: Characterization of diffusion properties of membrane using radiotracers

    International Nuclear Information System (INIS)

    Suresh, G.; Sodaye, Suparna; Scindia, Y.M.; Pandey, A.K.; Goswami, A.

    2007-01-01

    The self-diffusion coefficients of water and ions were used to study the physical (tortuosity) and electrostatic interactions of counterions in poly(perfluorosulfonic) acid membrane (Nafion-117) matrix. The self-diffusion coefficients of water (D H 2 O m ) were measured in the water swollen Nafion-117 membrane with Zn 2+ , Ca 2+ , Sr 2+ , and Fe 2+ counterions by analyzing the experimental exchange rates between tritium tagged water (HTO) in membrane and equilibrating water. In order to study the effects of equilibrating solution, the HTO-desorption rate profiles between the membrane samples in H + or Cs + forms and equilibrating solution containing CsCl or HCl (0.25mol/L) were measured. It was observed that the HTO-exchange rate profile was slower in case of membrane sample in Cs + -from equilibrated with salt/acid solution than that equilibrated with deionized water in same ionic form. However, HTO-exchange rate profile did not alter in case of H + -form of membrane on equilibration with salt or acid solution. The variation of lnD H 2 O m with polymer volume function V p /(1-V p ), where V p is polymer volume fraction, indicated that: (i) D H 2 O m in the membrane with multivalent counterions was lower than that reported for membrane with monovalent counterions at same V p , and (ii) the linear trends observed in variation of lnD H 2 O m with V p /(1-V p ) for multivalent and monovalent counterions were significantly different. The values of D H 2 O m in membrane normalized with D H 2 O m at V p =0 were taken as an estimate of the tortuosity factor for self-diffusion of ions in the membrane matrix. The self-diffusion coefficients of ions reported in the literature along with tortuosity factor obtained from D H 2 O m in the corresponding ionic forms of the membrane were analyzed to obtain the charge (Z i ) independent electrostatic interaction parameter g(φ) of monovalent and divalent ions in the membrane. This analysis indicated that g(φ) also vary

  10. Divalent Ion Parameterization Strongly Affects Conformation and Interactions of an Anionic Biomimetic Polymer

    Energy Technology Data Exchange (ETDEWEB)

    Daily, Michael D.; Baer, Marcel D.; Mundy, Christopher J.

    2016-03-10

    The description of peptides and the use of molecular dynamics simulations to refine structures and investigate the dynamics on an atomistic scale are well developed. Through a consensus in this community over multiple decades, parameters were developed for molecular interactions that only require the sequence of amino-acids and an initial guess for the three-dimensional structure. The recent discovery of peptoids will require a retooling of the currently available interaction potentials in order to have the same level of confidence in the predicted structures and pathways as there is presently in the peptide counterparts. Here we present modeling of peptoids using a combination of ab initio molecular dynamics (AIMD) and atomistic resolution classical forcefield (FF) to span the relevant time and length scales. To properly account for the dominant forces that stabilize ordered structures of peptoids, namely steric-, electrostatic, and hydrophobic interactions mediated through sidechain-sidechain interactions in the FF model, those have to be first mapped out using high fidelity atomistic representations. A key feature here is not only to use gas phase quantum chemistry tools, but also account for solvation effects in the condensed phase through AIMD. One major challenge is to elucidate ion binding to charged or polar regions of the peptoid and its concomitant role in the creation of local order. Here, similar to proteins, a specific ion effect is observed suggesting that both the net charge and the precise chemical nature of the ion will need to be described. MDD was supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative at Pacific Northwest National Laboratory. Research was funded by the Laboratory Directed Research and Development program at Pacific Northwest National Laboratory. MDB acknowledges support from US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Material & Engineering. CJM acknowledges

  11. Electrostatic hazards

    CERN Document Server

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

    1997-01-01

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

  12. Lunar electrostatic effects and protection

    International Nuclear Information System (INIS)

    Sun, Yongwei; Yuan, Qingyun; Xiong, Jiuliang

    2013-01-01

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

  13. Instability of collective strong-interaction phenomena in hadron production as a possible origin of the weak and electromagnetic interactions

    International Nuclear Information System (INIS)

    Arnold, R.C.

    1975-12-01

    A systematic calculus of long-range Regge cut effects in multiparticle production is constructed in the form of an infrared-divergent stochastic field theory. Total cross sections and two-body overlap integrals in such a theory may depend very sensitively upon internal quantum-numbers of incident particles, resulting in a strong symmetry breaking at ultra-high energies. Such symmetry violations will influence low energy processes through dispersion relations, and a bootstrap of weak interactions becomes possible. A rough analytic estimate of the scale of thresholds for such effects yields a BCS-type gap equation, which expresses the scale of weak and electromagnetic couplings in terms of purely strong-interaction parameters

  14. Bogolubov–Hartree–Fock Theory for Strongly Interacting Fermions in the Low Density Limit

    Energy Technology Data Exchange (ETDEWEB)

    Bräunlich, Gerhard [Friedrich-Schiller-University Jena, Institute for Mathematics (Germany); Hainzl, Christian [University of Tübingen, Mathematical Institute (Germany); Seiringer, Robert, E-mail: robert.seiringer@ist.ac.at [Institute of Science and Technology Austria (Austria)

    2016-06-15

    We consider the Bogolubov–Hartree–Fock functional for a fermionic many-body system with two-body interactions. For suitable interaction potentials that have a strong enough attractive tail in order to allow for two-body bound states, but are otherwise sufficiently repulsive to guarantee stability of the system, we show that in the low-density limit the ground state of this model consists of a Bose–Einstein condensate of fermion pairs. The latter can be described by means of the Gross–Pitaevskii energy functional.

  15. Strong constraints on self-interacting dark matter with light mediators

    International Nuclear Information System (INIS)

    Bringmann, Torsten; Walia, Parampreet

    2017-04-01

    Coupling dark matter to light new particles is an attractive way to combine thermal production with strong velocity-dependent self-interactions. Here we point out that in such models the dark matter annihilation rate is generically enhanced by the Sommerfeld effect, and we derive the resulting constraints from the Cosmic Microwave Background and other indirect detection probes. For the frequently studied case of s-wave annihilation these constraints exclude the entire parameter space where the self-interactions are large enough to address the small-scale problems of structure formation.

  16. Strong enhancement of light-matter interaction in graphene coupled to a photonic crystal nanocavity.

    Science.gov (United States)

    Gan, Xuetao; Mak, Kin Fai; Gao, Yuanda; You, Yumeng; Hatami, Fariba; Hone, James; Heinz, Tony F; Englund, Dirk

    2012-11-14

    We demonstrate a large enhancement in the interaction of light with graphene through coupling with localized modes in a photonic crystal nanocavity. Spectroscopic studies show that a single atomic layer of graphene reduces the cavity reflection by more than a factor of one hundred, while also sharply reducing the cavity quality factor. The strong interaction allows for cavity-enhanced Raman spectroscopy on subwavelength regions of a graphene sample. A coupled-mode theory model matches experimental observations and indicates significantly increased light absorption in the graphene layer. The coupled graphene-cavity system also enables precise measurements of graphene's complex refractive index.

  17. Equilibration Dynamics of Strongly Interacting Bosons in 2D Lattices with Disorder.

    Science.gov (United States)

    Yan, Mi; Hui, Hoi-Yin; Rigol, Marcos; Scarola, V W

    2017-08-18

    Motivated by recent optical lattice experiments [J.-y. Choi et al., Science 352, 1547 (2016)SCIEAS0036-807510.1126/science.aaf8834], we study the dynamics of strongly interacting bosons in the presence of disorder in two dimensions. We show that Gutzwiller mean-field theory (GMFT) captures the main experimental observations, which are a result of the competition between disorder and interactions. Our findings highlight the difficulty in distinguishing glassy dynamics, which can be captured by GMFT, and many-body localization, which cannot be captured by GMFT, and indicate the need for further experimental studies of this system.

  18. Gauge unification of basic forces, particularly of gravitation with strong interactions

    International Nuclear Information System (INIS)

    Salam, A.

    1977-01-01

    An attempt is made to present a case for the use of both the Einstein--Weyl spin-two and the Yang--Mills spin-one gauge structures for describing strong interactions. By emphasizing both spin-one and -two aspects of this force, it is hoped that a unification of this force, on the one hand, with gravity theory and, on the other, with the electromagnetic and weak interactions can be achieved. A Puppi type of tetrahedral interralation of fundamental forces, with the strong force playing a pivotal role due to its mediation through both spin-one and -two quanta, is proposed. It is claimed that the gauge invariance of gravity theory permits the use of ambuguity-free nonpolynomial techniques and thereby the securing of relistic regularization in gravity-modified field theories with the Newtonian constant G/sub N/ providing a relistic cutoff. 37 references

  19. Les Houches Summer School : Strongly Interacting Quantum Systems out of Equilibrium

    CERN Document Server

    Millis, Andrew J; Parcollet, Olivier; Saleur, Hubert; Cugliandolo, Leticia F

    2016-01-01

    Over the last decade new experimental tools and theoretical concepts are providing new insights into collective nonequilibrium behavior of quantum systems. The exquisite control provided by laser trapping and cooling techniques allows us to observe the behavior of condensed bose and degenerate Fermi gases under nonequilibrium drive or after quenches' in which a Hamiltonian parameter is suddenly or slowly changed. On the solid state front, high intensity short-time pulses and fast (femtosecond) probes allow solids to be put into highly excited states and probed before relaxation and dissipation occur. Experimental developments are matched by progress in theoretical techniques ranging from exact solutions of strongly interacting nonequilibrium models to new approaches to nonequilibrium numerics. The summer school Strongly interacting quantum systems out of equilibrium' held at the Les Houches School of Physics as its XCIX session was designed to summarize this progress, lay out the open questions and define dir...

  20. On the Frequency Distribution of Neutral Particles from Low-Energy Strong Interactions

    Directory of Open Access Journals (Sweden)

    Federico Colecchia

    2017-01-01

    Full Text Available The rejection of the contamination, or background, from low-energy strong interactions at hadron collider experiments is a topic that has received significant attention in the field of particle physics. This article builds on a particle-level view of collision events, in line with recently proposed subtraction methods. While conventional techniques in the field usually concentrate on probability distributions, our study is, to our knowledge, the first attempt at estimating the frequency distribution of background particles across the kinematic space inside individual collision events. In fact, while the probability distribution can generally be estimated given a model of low-energy strong interactions, the corresponding frequency distribution inside a single event typically deviates from the average and cannot be predicted a priori. We present preliminary results in this direction and establish a connection between our technique and the particle weighting methods that have been the subject of recent investigation at the Large Hadron Collider.

  1. Thermodynamics of strongly interacting fermions in two-dimensional optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Khatami, Ehsan; Rigol, Marcos [Department of Physics, Georgetown University, Washington DC, 20057 (United States); Kavli Institute for Theoretical Physics, University of California, Santa Barbara, Santa Barbara, California 93106 (United States)

    2011-11-15

    We study finite-temperature properties of strongly correlated fermions in two-dimensional optical lattices by means of numerical linked cluster expansions, a computational technique that allows one to obtain exact results in the thermodynamic limit. We focus our analysis on the strongly interacting regime, where the on-site repulsion is of the order of or greater than the band width. We compute the equation of state, double occupancy, entropy, uniform susceptibility, and spin correlations for temperatures that are similar to or below the ones achieved in current optical lattice experiments. We provide a quantitative analysis of adiabatic cooling of trapped fermions in two dimensions, by means of both flattening the trapping potential and increasing the interaction strength.

  2. Limitations due to strong head-on beam-beam interactions (MD 1434)

    CERN Document Server

    Buffat, Xavier; Iadarola, Giovanni; Papadopoulou, Parthena Stefania; Papaphilippou, Yannis; Pellegrini, Dario; Pojer, Mirko; Crockford, Guy; Salvachua Ferrando, Belen Maria; Trad, Georges; Barranco Garcia, Javier; Pieloni, Tatiana; Tambasco, Claudia; CERN. Geneva. ATS Department

    2017-01-01

    The results of an experiment aiming at probing the limitations due to strong head on beam-beam interactions are reported. It is shown that the loss rates significantly increase when moving the working point up and down the diagonal, possibly due to effects of the 10th and/or 14th order resonances. Those limitations are tighter for bunches with larger beam-beam parameters, a maximum total beam-beam tune shift just below 0.02 could be reached.

  3. Model for Thermal Relic Dark Matter of Strongly Interacting Massive Particles.

    Science.gov (United States)

    Hochberg, Yonit; Kuflik, Eric; Murayama, Hitoshi; Volansky, Tomer; Wacker, Jay G

    2015-07-10

    A recent proposal is that dark matter could be a thermal relic of 3→2 scatterings in a strongly coupled hidden sector. We present explicit classes of strongly coupled gauge theories that admit this behavior. These are QCD-like theories of dynamical chiral symmetry breaking, where the pions play the role of dark matter. The number-changing 3→2 process, which sets the dark matter relic abundance, arises from the Wess-Zumino-Witten term. The theories give an explicit relationship between the 3→2 annihilation rate and the 2→2 self-scattering rate, which alters predictions for structure formation. This is a simple calculable realization of the strongly interacting massive-particle mechanism.

  4. Effect of electrostatic interaction between fluoxetine and lipid membranes on the partitioning of fluoxetine investigated using second derivative spectrophotometry and FTIR.

    Science.gov (United States)

    Do, Tien T T; Dao, Uyen P N; Bui, Huong T; Nguyen, Trang T

    2017-10-01

    The interaction between a drug molecule and lipid bilayers is highly important regarding the pharmaceutical activity of the drug. In this study, the interaction of fluoxetine, a well-known selective serotonin reuptake inhibitor antidepressant and lipid bilayers composed of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (DPPG) and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) was studied from the aspect of electrostatics using second derivative spectrophotometry and Fourier transform infrared spectroscopy (FTIR) in order to provide insights into the drug behavior. Changing pH from 7.4 to 9.5 to increases the neutral state of fluoxetine, the partitioning of fluoxetine into the zwitterionic DPPC large unilamellar vesicles (LUVs) was increased whereas it was reduced into the negatively charged DPPG LUVs. Fluoxetine was found to exhibit a disordering effect on the acyl chains of DPPC and DPPG bilayers upon its partitioning. In addition, increasing concentration of NaCl lessened the binding of fluoxetine into DPPG bilayers due to the reduction in electrostatic attraction between positively charged fluoxetine and negatively charged DPPG LUVs. In addition, the FTIR study revealed that increasing the NaCl concentration could trigger the shift to higher frequency of the CH 2 stretching as well as the notable blue shift in the PO 2 - regions of DPPG, indicating that fluoxetine had deeper penetration into DPPG LUVs. The differences in the NaCl concentration showed a negligible effect on the incorporation of fluoxetine into the zwitterionic DPPC LUVs. In summary, the electrostatic interaction plays an important role on the partitioning of a cationic amphiphilic SSIR drug into the lipid bilayers and the drug partitioning induces the lipids' conformational change. These imply a possible influence on the drug pharmacology. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. arXiv Recent results and future of the NA61/SHINE strong interactions program

    CERN Document Server

    Lysakowski, Bartosz

    2018-01-01

    NA61/SHINE is a fixed target experiment at the CERN Super-Proton- Synchrotron. The main goals of the experiment are to discover the critical point of strongly interacting matter and study the properties of the onset of deconfnement. In order to reach these goals the collaboration studies hadron production properties in nucleus-nucleus, proton-proton and proton-nucleus interactions. In this talk, recent results on particle production in p+p interactions, as well as Be+Be and Ar+Sc collisions in the SPS energy range are reviewed. The results are compared with available world data. The future of the NA61/SHINE scientifc program is also presented.

  6. Strong late-time circumstellar interaction in the peculiar supernova iPTF14hls

    Science.gov (United States)

    Andrews, Jennifer E.; Smith, Nathan

    2018-03-01

    We present a moderate-resolution spectrum of the peculiar Type II supernova iPTF14hls taken on day 1153 after discovery. This spectrum reveals the clear signature of shock interaction with dense circumstellar material (CSM). We suggest that this CSM interaction may be an important clue for understanding the extremely unusual photometric and spectroscopic evolution seen over the first 600 days of iPTF14hls. The late-time spectrum shows a double-peaked intermediate-width Hα line indicative of expansion speeds around 1000 km s-1, with the double-peaked shape hinting at a disc-like geometry in the CSM. If the CSM was highly asymmetric, perhaps in a disc or torus that was ejected from the star 3-6 years prior to explosion, then the CSM interaction could have been overrun and hidden below the SN ejecta photosphere from a wide range of viewing angles. In that case, CSM interaction luminosity would have been thermalized well below the photosphere, potentially sustaining the high luminosity without exhibiting the traditional observational signatures of strong CSM interaction (narrow Hα emission and X-rays). Variations in density structure of the CSM could account for the multiple rebrightenings of the lightcurve. We propose that a canonical 1× 1051 erg explosion energy with enveloped CSM interaction as seen in some recent SNe, rather than an entirely new explosion mechanism, may be adequate to explain the peculiar evolution of iPTF14hls.

  7. Role of high-order dispersion on strong-field laser-molecule interactions

    Science.gov (United States)

    Dantus, Marcos; Nairat, Muath

    2016-05-01

    Strong-field (1012- 1016 W/ cm2) laser-matter interactions are characterized by the extent of fragmentation and charge of the resulting ions as a function of peak intensity and pulse duration. Interactions are influenced by high-order dispersion, which is difficult to characterize and compress. Fourth-order dispersion (FOD) causes a time-symmetric pedestal, while third-order dispersion (TOD) causes a leading (negative) or following (positive) pedestal. Here, we report on strong-field interactions with pentane and toluene molecules, tracking the molecular ion and the doubly charged carbon ion C2+ yields as a function of TOD and FOD for otherwise transform-limited (TL) 35fs pulses. We find TL pulses enhance molecular ion yield and suppress C2+ yield, while FOD reverses this trend. Interestingly, the leading pedestal in negative TOD enhances C2+ yield compared to positive TOD. Pulse pedestals are of particular importance in strong-field science because target ionization or alignment can be induced well before the main pulse arrives. A pedestal following an intense laser pulse can cause sequential ionization or accelerate electrons causing cascaded ionization. Control of high-order dispersion allows us to provide strong-field measurements that can help address the mechanisms responsible for different product ions in the presence and absence of pedestals. Financial support of this work comes from the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, DOE SISGR (DE-SC0002325)

  8. Strong Selection Significantly Increases Epistatic Interactions in the Long-Term Evolution of a Protein.

    Directory of Open Access Journals (Sweden)

    Aditi Gupta

    2016-03-01

    Full Text Available Epistatic interactions between residues determine a protein's adaptability and shape its evolutionary trajectory. When a protein experiences a changed environment, it is under strong selection to find a peak in the new fitness landscape. It has been shown that strong selection increases epistatic interactions as well as the ruggedness of the fitness landscape, but little is known about how the epistatic interactions change under selection in the long-term evolution of a protein. Here we analyze the evolution of epistasis in the protease of the human immunodeficiency virus type 1 (HIV-1 using protease sequences collected for almost a decade from both treated and untreated patients, to understand how epistasis changes and how those changes impact the long-term evolvability of a protein. We use an information-theoretic proxy for epistasis that quantifies the co-variation between sites, and show that positive information is a necessary (but not sufficient condition that detects epistasis in most cases. We analyze the "fossils" of the evolutionary trajectories of the protein contained in the sequence data, and show that epistasis continues to enrich under strong selection, but not for proteins whose environment is unchanged. The increase in epistasis compensates for the information loss due to sequence variability brought about by treatment, and facilitates adaptation in the increasingly rugged fitness landscape of treatment. While epistasis is thought to enhance evolvability via valley-crossing early-on in adaptation, it can hinder adaptation later when the landscape has turned rugged. However, we find no evidence that the HIV-1 protease has reached its potential for evolution after 9 years of adapting to a drug environment that itself is constantly changing. We suggest that the mechanism of encoding new information into pairwise interactions is central to protein evolution not just in HIV-1 protease, but for any protein adapting to a changing

  9. Contemporary NMR Studies of Protein Electrostatics.

    Science.gov (United States)

    Hass, Mathias A S; Mulder, Frans A A

    2015-01-01

    Electrostatics play an important role in many aspects of protein chemistry. However, the accurate determination of side chain proton affinity in proteins by experiment and theory remains challenging. In recent years the field of nuclear magnetic resonance spectroscopy has advanced the way that protonation states are measured, allowing researchers to examine electrostatic interactions at an unprecedented level of detail and accuracy. Experiments are now in place that follow pH-dependent (13)C and (15)N chemical shifts as spatially close as possible to the sites of protonation, allowing all titratable amino acid side chains to be probed sequence specifically. The strong and telling response of carefully selected reporter nuclei allows individual titration events to be monitored. At the same time, improved frameworks allow researchers to model multiple coupled protonation equilibria and to identify the underlying pH-dependent contributions to the chemical shifts.

  10. Observation of Spin-Polarons in a strongly interacting Fermi liquid

    Science.gov (United States)

    Zwierlein, Martin

    2009-03-01

    We have observed spin-polarons in a highly imbalanced mixture of fermionic atoms using tomographic RF spectroscopy. Feshbach resonances allow to freely tune the interactions between the two spin states involved. A single spin down atom immersed in a Fermi sea of spin up atoms can do one of two things: For strong attraction, it can form a molecule with exactly one spin up partner, but for weaker interaction it will spread its attraction and surround itself with a collection of majority atoms. This spin down atom ``dressed'' with a spin up cloud constitutes the spin-polaron. We have observed a striking spectroscopic signature of this quasi-particle for various interaction strengths, a narrow peak in the spin down spectrum that emerges above a broad background. The narrow width signals a long lifetime of the spin-polaron, much longer than the collision rate with spin up atoms, as it must be for a proper quasi-particle. The peak position allows to directly measure the polaron energy. The broad pedestal at high energies reveals physics at short distances and is thus ``molecule-like'': It is exactly matched by the spin up spectra. The comparison with the area under the polaron peak allows to directly obtain the quasi-particle weight Z. We observe a smooth transition from polarons to molecules. At a critical interaction strength of 1/kFa = 0.7, the polaron peak vanishes and spin up and spin down spectra exactly match, signalling the formation of molecules. This is the same critical interaction strength found earlier to separate a normal Fermi mixture from a superfluid molecular Bose-Einstein condensate. The spin-polarons determine the low-temperature phase diagram of imbalanced Fermi mixtures. In principle, polarons can interact with each other and should, at low enough temperatures, form a superfluid of p-wave pairs. We will present a first indication for interactions between polarons.

  11. Quantum criticality of one-dimensional multicomponent Fermi gas with strongly attractive interaction

    International Nuclear Information System (INIS)

    He, Peng; Jiang, Yuzhu; Guan, Xiwen; He, Jinyu

    2015-01-01

    Quantum criticality of strongly attractive Fermi gas with SU(3) symmetry in one dimension is studied via the thermodynamic Bethe ansatz (TBA) equations. The phase transitions driven by the chemical potential μ, effective magnetic field H 1 , H 2 (chemical potential biases) are analyzed at the quantum criticality. The phase diagram and critical fields are analytically determined by the TBA equations in the zero temperature limit. High accurate equations of state, scaling functions are also obtained analytically for the strong interacting gases. The dynamic exponent z=2 and correlation length exponent ν=1/2 read off the universal scaling form. It turns out that the quantum criticality of the three-component gases involves a sudden change of density of states of one cluster state, two or three cluster states. In general, this method can be adapted to deal with the quantum criticality of multicomponent Fermi gases with SU(N) symmetry. (paper)

  12. Adsorbate-mediated strong metal-support interactions in oxide-supported Rh catalysts.

    Science.gov (United States)

    Matsubu, John C; Zhang, Shuyi; DeRita, Leo; Marinkovic, Nebojsa S; Chen, Jingguang G; Graham, George W; Pan, Xiaoqing; Christopher, Phillip

    2017-02-01

    The optimization of supported metal catalysts predominantly focuses on engineering the metal site, for which physical insights based on extensive theoretical and experimental contributions have enabled the rational design of active sites. Although it is well known that supports can influence the catalytic properties of metals, insights into how metal-support interactions can be exploited to optimize metal active-site properties are lacking. Here we utilize in situ spectroscopy and microscopy to identify and characterize a support effect in oxide-supported heterogeneous Rh catalysts. This effect is characterized by strongly bound adsorbates (HCO x ) on reducible oxide supports (TiO 2 and Nb 2 O 5 ) that induce oxygen-vacancy formation in the support and cause HCO x -functionalized encapsulation of Rh nanoparticles by the support. The encapsulation layer is permeable to reactants, stable under the reaction conditions and strongly influences the catalytic properties of Rh, which enables rational and dynamic tuning of CO 2 -reduction selectivity.

  13. Studies of the strong and electroweak interactions at the Z0 pole

    International Nuclear Information System (INIS)

    Hildreth, M.D.

    1995-03-01

    This thesis presents studies of the strong and electroweak forces, two of the fundamental interactions that govern the behavior of matter at high energies. The authors have used the hadronic decays of Z 0 bosons produced with the unique experimental apparatus of the e + e - Linear Collider at the Stanford Linear Accelerator Center (SLAC) and the SLAC Large Detector (SLD) for these measurements. Employing the precision tracking capabilities of the SLD, they isolated samples of Z 0 events containing primarily the decays of the Z 0 to a chosen quark type. With an inclusive selection technique, they have tested the flavor independence of the strong coupling, α s by measuring the rates of multi-jet production in isolated samples of light (uds), c, and b quark events. They find: α s uds /α s all 0.987 ± 0.027(stat) ± 0.022(syst) ± 0.022(theory), α s c /α s all = 1.012 ± 0.104(stat) ± 0.102(syst) ± 0.096(theory), α s b /α s all = 1.026 ± 0.041(stat) ± 0.030(theory), which implies that the strong interaction is independent of quark flavor within the present experimental sensitivity. They have also measured the extent of parity-violation in the Z 0 c bar c coupling, given by the parameter A c 0 , using a sample of fully and partially reconstructed D* and D + meson decays and the longitudinal polarization of the SLC electron beam. This sample of charm quark events was derived with selection techniques based on their kinematic properties and decay topologies. They find A c 0 = 0.73 ± 0.22(stat) ± 0.10(syst). This value is consistent with that expected in the electroweak standard model of particle interactions

  14. Evidence for strong Breit interaction in dielectronic recombination of highly charged heavy ions.

    Science.gov (United States)

    Nakamura, Nobuyuki; Kavanagh, Anthony P; Watanabe, Hirofumi; Sakaue, Hiroyuki A; Li, Yueming; Kato, Daiji; Currell, Fred J; Ohtani, Shunsuke

    2008-02-22

    Resonant strengths have been measured for dielectronic recombination of Li-like iodine, holmium, and bismuth using an electron beam ion trap. By observing the atomic number dependence of the state-resolved resonant strength, clear experimental evidence has been obtained that the importance of the generalized Breit interaction (GBI) effect on dielectronic recombination increases as the atomic number increases. In particular, it has been shown that the GBI effect is exceptionally strong for the recombination through the resonant state [1s2s(2)2p(1/2)](1).

  15. Viscosity in strongly interacting quantum field theories from black hole physics.

    Science.gov (United States)

    Kovtun, P K; Son, D T; Starinets, A O

    2005-03-25

    The ratio of shear viscosity to volume density of entropy can be used to characterize how close a given fluid is to being perfect. Using string theory methods, we show that this ratio is equal to a universal value of variant Planck's over 2pi/4pik(B) for a large class of strongly interacting quantum field theories whose dual description involves black holes in anti-de Sitter space. We provide evidence that this value may serve as a lower bound for a wide class of systems, thus suggesting that black hole horizons are dual to the most ideal fluids.

  16. Mechanism for thermal relic dark matter of strongly interacting massive particles.

    Science.gov (United States)

    Hochberg, Yonit; Kuflik, Eric; Volansky, Tomer; Wacker, Jay G

    2014-10-24

    We present a new paradigm for achieving thermal relic dark matter. The mechanism arises when a nearly secluded dark sector is thermalized with the standard model after reheating. The freeze-out process is a number-changing 3→2 annihilation of strongly interacting massive particles (SIMPs) in the dark sector, and points to sub-GeV dark matter. The couplings to the visible sector, necessary for maintaining thermal equilibrium with the standard model, imply measurable signals that will allow coverage of a significant part of the parameter space with future indirect- and direct-detection experiments and via direct production of dark matter at colliders. Moreover, 3→2 annihilations typically predict sizable 2→2 self-interactions which naturally address the "core versus cusp" and "too-big-to-fail" small-scale structure formation problems.

  17. Many-body Anderson localization of strongly interacting bosons in random lattices

    International Nuclear Information System (INIS)

    Katzer, Roman

    2015-05-01

    In the present work, we investigate the problem of many-body localization of strongly interacting bosons in random lattices within the disordered Bose-Hubbard model. This involves treating both the local Mott-Hubbard physics as well as the non-local quantum interference processes, which give rise to the phenomenon of Anderson localization, within the same theory. In order to determine the interaction induced transition to the Mott insulator phase, it is necessary to treat the local particle interaction exactly. Therefore, here we use a mean-field approach that approximates only the kinetic term of the Hamiltonian. This way, the full problem of interacting bosons on a random lattice is reduced to a local problem of a single site coupled to a particle bath, which has to be solved self-consistently. In accordance to previous works, we find that a finite disorder width leads to a reduced size of the Mott insulating regions. The transition from the superfluid phase to the Bose glass phase is driven by the non-local effect of Anderson localization. In order to describe this transition, one needs to work within a theory that is non-local as well. Therefore, here we introduce a new approach to the problem. Based on the results for the local excitation spectrum obtained within the mean-field theory, we reduce the full, interacting model to an effective, non-interacting model by applying a truncation scheme to the Hilbert space. Evaluating the long-ranged current density within this approximation, we identify the transition from the Bose glass to the superfluid phase with the Anderson transition of the effective model. Resolving this transition using the self-consistent theory of localization, we obtain the full phase diagram of the disordered Bose-Hubbard model in the regime of strong interaction and larger disorder. In accordance to the theorem of inclusions, we find that the Mott insulator and the superfluid phase are always separated by the compressible, but insulating

  18. Concepts relating magnetic interactions, intertwined electronic orders, and strongly correlated superconductivity

    Science.gov (United States)

    Davis, J. C. Séamus; Lee, Dung-Hai

    2013-01-01

    Unconventional superconductivity (SC) is said to occur when Cooper pair formation is dominated by repulsive electron–electron interactions, so that the symmetry of the pair wave function is other than an isotropic s-wave. The strong, on-site, repulsive electron–electron interactions that are the proximate cause of such SC are more typically drivers of commensurate magnetism. Indeed, it is the suppression of commensurate antiferromagnetism (AF) that usually allows this type of unconventional superconductivity to emerge. Importantly, however, intervening between these AF and SC phases, intertwined electronic ordered phases (IP) of an unexpected nature are frequently discovered. For this reason, it has been extremely difficult to distinguish the microscopic essence of the correlated superconductivity from the often spectacular phenomenology of the IPs. Here we introduce a model conceptual framework within which to understand the relationship between AF electron–electron interactions, IPs, and correlated SC. We demonstrate its effectiveness in simultaneously explaining the consequences of AF interactions for the copper-based, iron-based, and heavy-fermion superconductors, as well as for their quite distinct IPs. PMID:24114268

  19. Simulation of Quantum Many-Body Dynamics for Generic Strongly-Interacting Systems

    Science.gov (United States)

    Meyer, Gregory; Machado, Francisco; Yao, Norman

    2017-04-01

    Recent experimental advances have enabled the bottom-up assembly of complex, strongly interacting quantum many-body systems from individual atoms, ions, molecules and photons. These advances open the door to studying dynamics in isolated quantum systems as well as the possibility of realizing novel out-of-equilibrium phases of matter. Numerical studies provide insight into these systems; however, computational time and memory usage limit common numerical methods such as exact diagonalization to relatively small Hilbert spaces of dimension 215 . Here we present progress toward a new software package for dynamical time evolution of large generic quantum systems on massively parallel computing architectures. By projecting large sparse Hamiltonians into a much smaller Krylov subspace, we are able to compute the evolution of strongly interacting systems with Hilbert space dimension nearing 230. We discuss and benchmark different design implementations, such as matrix-free methods and GPU based calculations, using both pre-thermal time crystals and the Sachdev-Ye-Kitaev model as examples. We also include a simple symbolic language to describe generic Hamiltonians, allowing simulation of diverse quantum systems without any modification of the underlying C and Fortran code.

  20. Possible Cosmological consequences of thermodynamics in a unified approach to gravitational and strong interactions

    International Nuclear Information System (INIS)

    Recami, E.; Tonin Zanchin, V.; Martinez, J.M.

    1986-01-01

    A unified geometrical approach to strong and gravitational interactions has been recently proposed, based on the classical methods of General Relativity. According to it, hadrons can be regarded as black-hole type solutions of new field equations describing two tensorial metric-field (the ordinary gravitational field, and the strong one). In this paper, we first seize the opportunity for an improved exposition of some elements of the theory relevant to our present scope. Secondly, by extending the Bekenstein-Hawking thermodynamics to the above mentioned strong black-holes (SBH), it is shown: 1) that SBH thermodynamics seems to require a new expansion of our cosmos after its Big Crunch (i.e. that a recontraction of our cosmos has to be followed by a new creation); 2) that a collapsing star with mass M approximately in the range 3 to 5 solar masses, once reached the neutron-star density, could re-explode tending to form a (radiating) object with a diameter of the order of 1 light-day: thus failing to create a gravitational black-hole

  1. An anisotropic hydrogel with electrostatic repulsion between cofacially aligned nanosheets

    Science.gov (United States)

    Liu, Mingjie; Ishida, Yasuhiro; Ebina, Yasuo; Sasaki, Takayoshi; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo

    2015-01-01

    Machine technology frequently puts magnetic or electrostatic repulsive forces to practical use, as in maglev trains, vehicle suspensions or non-contact bearings. In contrast, materials design overwhelmingly focuses on attractive interactions, such as in the many advanced polymer-based composites, where inorganic fillers interact with a polymer matrix to improve mechanical properties. However, articular cartilage strikingly illustrates how electrostatic repulsion can be harnessed to achieve unparalleled functional efficiency: it permits virtually frictionless mechanical motion within joints, even under high compression. Here we describe a composite hydrogel with anisotropic mechanical properties dominated by electrostatic repulsion between negatively charged unilamellar titanate nanosheets embedded within it. Crucial to the behaviour of this hydrogel is the serendipitous discovery of cofacial nanosheet alignment in aqueous colloidal dispersions subjected to a strong magnetic field, which maximizes electrostatic repulsion and thereby induces a quasi-crystalline structural ordering over macroscopic length scales and with uniformly large face-to-face nanosheet separation. We fix this transiently induced structural order by transforming the dispersion into a hydrogel using light-triggered in situ vinyl polymerization. The resultant hydrogel, containing charged inorganic structures that align cofacially in a magnetic flux, deforms easily under shear forces applied parallel to the embedded nanosheets yet resists compressive forces applied orthogonally. We anticipate that the concept of embedding anisotropic repulsive electrostatics within a composite material, inspired by articular cartilage, will open up new possibilities for developing soft materials with unusual functions.

  2. Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

    Science.gov (United States)

    Tubman, Norm; Whaley, Birgitta

    The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

  3. Studies of the strong and electroweak interactions at the Z0 pole

    Energy Technology Data Exchange (ETDEWEB)

    Hildreth, Michael Douglas [Stanford Univ., CA (United States)

    1995-03-01

    This thesis presents studies of the strong and electroweak forces, two of the fundamental interactions that govern the behavior of matter at high energies. The authors have used the hadronic decays of Z0 bosons produced with the unique experimental apparatus of the e+e- Linear Collider at the Stanford Linear Accelerator Center (SLAC) and the SLAC Large Detector (SLD) for these measurements. Employing the precision tracking capabilities of the SLD, they isolated samples of Z0 events containing primarily the decays of the Z0 to a chosen quark type. With an inclusive selection technique, they have tested the flavor independence of the strong coupling, αs by measuring the rates of multi-jet production in isolated samples of light (uds), c, and b quark events. They find: α$s\\atop{uds}$/α$s\\atop{all}$ 0.987 ± 0.027(stat) ± 0.022(syst) ± 0.022(theory), α$c\\atop{s}$/α$all\\atop{s}$ = 1.012 ± 0.104(stat) ± 0.102(syst) ± 0.096(theory), α$b\\atop{s}$/α$all\\atop{s}$ = 1.026 {+-} 0.041(stat) ± 0.030(theory), which implies that the strong interaction is independent of quark flavor within the present experimental sensitivity. They have also measured the extent of parity-violation in the Z0 c$\\bar{c}$ coupling, given by the parameter A $0\\atop{c}$, using a sample of fully and partially reconstructed D* and D+ meson decays and the longitudinal polarization of the SLC electron beam. This sample of charm quark events was derived with selection techniques based on their kinematic properties and decay topologies. They find A$0\\atop{c}$ = 0.73 ± 0.22(stat) ± 0.10(syst). This value is consistent with that expected in the electroweak standard model of particle interactions.

  4. Uniform strongly interacting soliton gas in the frame of the Nonlinear Schrodinger Equation

    Science.gov (United States)

    Gelash, Andrey; Agafontsev, Dmitry

    2017-04-01

    The statistical properties of many soliton systems play the key role in the fundamental studies of integrable turbulence and extreme sea wave formation. It is well known that separated solitons are stable nonlinear coherent structures moving with constant velocity. After collisions with each other they restore the original shape and only acquire an additional phase shift. However, at the moment of strong nonlinear soliton interaction (i.e. when solitons are located close) the wave field are highly complicated and should be described by the theory of inverse scattering transform (IST), which allows to integrate the KdV equation, the NLSE and many other important nonlinear models. The usual approach of studying the dynamics and statistics of soliton wave field is based on relatively rarefied gas of solitons [1,2] or restricted by only two-soliton interactions [3]. From the other hand, the exceptional role of interacting solitons and similar coherent structures - breathers in the formation of rogue waves statistics was reported in several recent papers [4,5]. In this work we study the NLSE and use the most straightforward and general way to create many soliton initial condition - the exact N-soliton formulas obtained in the theory of the IST [6]. We propose the recursive numerical scheme for Zakharov-Mikhailov variant of the dressing method [7,8] and discuss its stability with respect to increasing the number of solitons. We show that the pivoting, i.e. the finding of an appropriate order for recursive operations, has a significant impact on the numerical accuracy. We use the developed scheme to generate statistical ensembles of 32 strongly interacting solitons, i.e. solve the inverse scattering problem for the high number of discrete eigenvalues. Then we use this ensembles as initial conditions for numerical simulations in the box with periodic boundary conditions and study statics of obtained uniform strongly interacting gas of NLSE solitons. Author thanks the

  5. Electrostatic turbulence in strongly magnetized plasmas

    International Nuclear Information System (INIS)

    Nielsen, A.H.

    1993-01-01

    Turbulence in plasmas has been investigated experimentally and numerically. On the experimental side the turbulent nature of the Kelvin-Helmholtz instability has been studied in a single-ended Q-machine. The development of coherent structures in the background of the turbulent flow has been demonstrated and the capability of structures of transporting plasma across the magnetic field-lines is explained in detail. The numerical investigations are divided into two parts: Numerical simulations of the dynamics from the Q-machine experiments using spectral methods to solve the two-dimensional Navier-Stokes equations in a cylindrical geometry. A numerical study of the Eulerian-Lagrangian transformation in a two-dimensional flow. Here the flow is made up by a large number of structures, where each individual structure is convected by the superposed flow field of all the others. (au) (33 ills., 67 refs.)

  6. Modeling a nonperturbative spinor vacuum interacting with a strong gravitational wave

    Energy Technology Data Exchange (ETDEWEB)

    Dzhunushaliev, Vladimir [Al-Farabi Kazakh National University, Department of Theoretical and Nuclear Physics, Almaty (Kazakhstan); Al-Farabi Kazakh National University, Institute of Experimental and Theoretical Physics, Almaty (Kazakhstan); Folomeev, Vladimir [Institute of Physicotechnical Problems and Material Science, NAS of the Kyrgyz Republic, Bishkek (Kyrgyzstan)

    2015-07-15

    We consider the propagation of strong gravitational waves interacting with a nonperturbative vacuum of spinor fields. To described the latter, we suggest an approximate model. The corresponding Einstein equation has the form of the Schroedinger equation. Its gravitational-wave solution is analogous to the solution of the Schroedinger equation for an electron moving in a periodic potential. The general solution for the periodic gravitational waves is found. The analog of the Kronig-Penney model for gravitational waves is considered. It is shown that the suggested gravitational-wave model permits the existence of weak electric charge and current densities concomitant with the gravitational wave. Based on this observation, a possible experimental verification of the model is suggested. (orig.)

  7. Phase transitions, nonequilibrium dynamics, and critical behavior of strongly interacting systems

    Energy Technology Data Exchange (ETDEWEB)

    Mottola, E.; Bhattacharya, T.; Cooper, F. [and others

    1998-12-31

    This is the final report of a three-year, Laboratory Directed Research and Development project at Los Alamos National Laboratory. In this effort, large-scale simulations of strongly interacting systems were performed and a variety of approaches to the nonequilibrium dynamics of phase transitions and critical behavior were investigated. Focus areas included (1) the finite-temperature quantum chromodynamics phase transition and nonequilibrium dynamics of a new phase of matter (the quark-gluon plasma) above the critical temperature, (2) nonequilibrium dynamics of a quantum fields using mean field theory, and (3) stochastic classical field theoretic models with applications to spinodal decomposition and structural phase transitions in a variety of systems, such as spin chains and shape memory alloys.

  8. Description of meson strong weak and electromagnetic interactions in quantum chiral theory

    International Nuclear Information System (INIS)

    Volkov, M.K.; Ehbert, D.

    1979-01-01

    The picture of all the principal meson decays of the basic octet has been obtained in the framework of the SU(3)xSU(3) symmetric chiral model of the field theory. An attempt is made to generalize the nonlinear chiral model for the case of charmed hadrons, i.e., a transition from the SU(3)xSU(3) group to the SU(4)xSU(4) group. The authors have succeeded in elucidating unambiguously the role of the Kabibbo angle both in weak and strong interactions (it defines the structure of weak hadron currents and hadron mass splitting in isotopic multiplets). Proceeding from decays of the basic octet mesons it has been shown that the nonlinear chiral SU(3)xSU(3) symmetric theory may be considered as the quantum field theory, which satisfactorily describes the low-energy meson physics in two first orders of the perturbation theory (tree and single-loop approximations)

  9. Particle-Hole Character of the Higgs and Goldstone Modes in Strongly Interacting Lattice Bosons

    Science.gov (United States)

    Di Liberto, M.; Recati, A.; Trivedi, N.; Carusotto, I.; Menotti, C.

    2018-02-01

    We study the low-energy excitations of the Bose-Hubbard model in the strongly interacting superfluid phase using a Gutzwiller approach. We extract the single-particle and single-hole excitation amplitudes for each mode and report emergent mode-dependent particle-hole symmetry on specific arc-shaped lines in the phase diagram connecting the well-known Lorentz-invariant limits of the Bose-Hubbard model. By tracking the in-phase particle-hole symmetric oscillations of the order parameter, we provide an answer to the long-standing question about the fate of the pure amplitude Higgs mode away from the integer-density critical point. Furthermore, we point out that out-of-phase symmetric oscillations in the gapless Goldstone mode are responsible for a full suppression of the condensate density oscillations. Possible detection protocols are also discussed.

  10. Magnetism and local symmetry breaking in a Mott insulator with strong spin orbit interactions.

    Science.gov (United States)

    Lu, L; Song, M; Liu, W; Reyes, A P; Kuhns, P; Lee, H O; Fisher, I R; Mitrović, V F

    2017-02-09

    Study of the combined effects of strong electronic correlations with spin-orbit coupling (SOC) represents a central issue in quantum materials research. Predicting emergent properties represents a huge theoretical problem since the presence of SOC implies that the spin is not a good quantum number. Existing theories propose the emergence of a multitude of exotic quantum phases, distinguishable by either local point symmetry breaking or local spin expectation values, even in materials with simple cubic crystal structure such as Ba 2 NaOsO 6 . Experimental tests of these theories by local probes are highly sought for. Our local measurements designed to concurrently probe spin and orbital/lattice degrees of freedom of Ba 2 NaOsO 6 provide such tests. Here we show that a canted ferromagnetic phase which is preceded by local point symmetry breaking is stabilized at low temperatures, as predicted by quantum theories involving multipolar spin interactions.

  11. Limiting assumptions in molecular modeling: electrostatics.

    Science.gov (United States)

    Marshall, Garland R

    2013-02-01

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

  12. Are strong empathizers better mentalizers? Evidence for independence and interaction between the routes of social cognition.

    Science.gov (United States)

    Kanske, Philipp; Böckler, Anne; Trautwein, Fynn-Mathis; Parianen Lesemann, Franca H; Singer, Tania

    2016-09-01

    Although the processes that underlie sharing others' emotions (empathy) and understanding others' mental states (mentalizing, Theory of Mind) have received increasing attention, it is yet unclear how they relate to each other. For instance, are people who strongly empathize with others also more proficient in mentalizing? And (how) do the neural networks supporting empathy and mentalizing interact? Assessing both functions simultaneously in a large sample (N = 178), we show that people's capacities to empathize and mentalize are independent, both on a behavioral and neural level. Thus, strong empathizers are not necessarily proficient mentalizers, arguing against a general capacity of social understanding. Second, we applied dynamic causal modeling to investigate how the neural networks underlying empathy and mentalizing are orchestrated in naturalistic social settings. Results reveal that in highly emotional situations, empathic sharing can inhibit mentalizing-related activity and thereby harm mentalizing performance. Taken together, our findings speak against a unitary construct of social understanding and suggest flexible interplay of distinct social functions. © The Author (2016). Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

  13. Observation of quantum-limited spin transport in strongly interacting two-dimensional Fermi gases

    Science.gov (United States)

    Olsen, Ben A.; Luciuk, Chris; Smale, Scott; Böttcher, Florian; Sharum, Haille; Trotzky, Stefan; Enss, Tilman; Thywissen, Joseph H.

    2017-04-01

    Conjectured quantum bounds on transport appear to be respected in many strongly interacting many-body systems. Since transport occurs as a system relaxes to equilibrium, many such bounds can be recast as an upper bound on the local relaxation rate kB T / ℏ . Systems saturating this ``Planckian'' bound lack well defined quasiparticles promoting transport. We measure the transport properties of 2D ultracold Fermi gases of 40K during transverse demagnetization in a magnetic field gradient. Using a phase-coherent spin-echo sequence, we distinguish bare spin diffusion from the Leggett-Rice effect, in which demagnetization is slowed by the precession of spin current around the local magnetization. When the 2D scattering length is tuned near an s-wave Feshbach resonance to be comparable to the inverse Fermi wave vector kF- 1 , we find that the bare transverse spin diffusivity reaches a minimum of 1 . 7(6) ℏ / m . Demagnetization is also reflected in the growth rate of the s-wave contact, observed using time-resolved rf spectroscopy. At unitarity, the contact rises to 0 . 28(3) kF2 per particle, measuring the breaking of scaling symmetry. Our observations support the conjecture that under strong scattering, the local relaxation rate is bounded from above by kB T / ℏ .

  14. New precision era of experiments on strong interaction with strangeness at DAFNE/LNF-INFN

    Directory of Open Access Journals (Sweden)

    Ishiwatari T.

    2014-03-01

    Full Text Available The strong-interaction shifts and widths of kaonic hydrogen, deuterium, 3He, and 4He were measured in the SIDDHARTA experiment. The most precise values of the shift and width of the kaonic hydrogen 1s state were determined to be ϵ1s = −283 ± 36(stat±6(syst eV and Γ1s = 541±89(stat±22(syst eV. The upper limit of the kaonic deuterium Kα yield was found to be ≤ 0.39%. In addition, the shifts and widths of the kaonic 3He and 4He 2p states were determined to be ϵ2p(3He = −2 ± 2(stat ± 4(syst eV and Γ2p(3He = 6 ± 6(stat ± 7(syst eV; ϵ2p(4He = +5 ± 3(stat ± 4(syst eV and Γ2p(4He = 14 ± 8(stat ± 5(syst eV. These values are important for the constraints of the low-energy K¯N$\\bar KN$ interaction in theoretical approaches.

  15. Interaction of a strong stellar wind with a mutiphase interstellar medium

    International Nuclear Information System (INIS)

    Wolff, M.T.

    1986-01-01

    The interaction of a strong stellar wind with the interstellar medium produces a hot, low density cavity surrounded by a swept-up shell of gas. This cavity-plus-shell structure is collectively called an interstellar bubble. In calculations prior to this work, researchers assumed that the interstellar medium surrounding the wind-blowing star was described by a constant density and temperature (i.e., was homogeneous). This dissertation improves on these earlier calculations by assuming that the interstellar medium surrounding the star is inhomogeneous or multiphase. Gas flows are modeled by assuming that the inhomogeneous phases of the interstellar medium (the clouds) and the intercloud gas form two distinct but interacting fluid that can exchange mass momentum and energy with each other. In one set of calculations, it is assumed that thermal conductive evaporation of clouds brought about by the clouds sitting inside a region of hot (T ≅ 10 6 K) gas is the only mass exchange process operation between the clouds and intercloud fluid. It was found that the mass injection from the clouds to the intercloud gas via the process of thermal evaporation can significantly modify the structure of the interstellar bubble from that found in previous studies

  16. Innovative Electrostatic Adhesion Technologies

    Science.gov (United States)

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

    2015-01-01

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

  17. Role of strongly interacting additives in tuning the structure and properties of polymer systems

    Science.gov (United States)

    Daga, Vikram Kumar

    Block copolymer (BCP) nanocomposites are an important class of hybrid materials in which the BCP guides the spatial location and the periodic assembly of the additives. High loadings of well-dispersed nanofillers are generally important for many applications including mechanical reinforcing of polymers. In particular the composites shown in this work might find use as etch masks in nanolithography, or for enabling various phase selective reactions for new materials development. This work explores the use of hydrogen bonding interactions between various additives (such as homopolymers and non-polymeric additives) and small, disordered BCPs to cause the formation of well-ordered morphologies with small domains. A detailed study of the organization of homopolymer chains and the evolution of structure during the process of ordering is performed. The results demonstrate that by tuning the selective interaction of the additive with the incorporating phase of the BCP, composites with significantly high loadings of additives can be formed while maintaining order in the BCP morphology. The possibility of high and selective loading of additives in one of the phases of the ordered BCP composite opens new avenues due to high degree of functionalization and the proximity of the additives within the incorporating phase. This aspect is utilized in one case for the formation of a network structure between adjoining additive cores to derive mesoporous inorganic materials with their structures templated by the BCP. The concept of additive-driven assembly is extended to formulate BCPadditive blends with an ability to undergo photo-induced ordering. Underlying this strategy is the ability to transition a weakly interacting additive to its strongly interacting form. This strategy provides an on-demand, non-intrusive route for formation of well-ordered nanostructures in arbitrarily defined regions of an otherwise disordered material. The second area explored in this dissertation deals

  18. Advances in the Application of the Similarity Renormalization Group to Strongly Interacting Systems

    Science.gov (United States)

    Wendt, Kyle Andrew

    The Similarity Renormalization Group (SRG) as applied in nuclear physics is a tool to soften and decouple inter-nucleon interactions. The necessity for such a tool is generated by the strong coupling of high- and low-momentum degrees of freedom in modern precision interactions. In recent years the SRG have been used with great success in enhancing few (2-12) nucleon calculations, but there are still many open questions about the nature of the SRG, and how it affects chiral forces. This thesis focuses on three topics within the study of the SRG as it applies to nuclear few-body interactions, with a focus on nuclear forces from chiral effective field theory. The typical SRG applied to nuclear physics is the T̂ rel-SRG, which uses the relative kinetic energy to generate a renormalizing flow. However, this generator explicitly violates criteria that ensure the SRG will decouple the interaction. Previous study of this generator found for a simple model that as the resolution is lowered past the momentum scales associated with a bound state, the T̂rel-SRG enhances coupling near the bound state whereas the classical Wegner generator completely decouples the bound state. In practice, this has not been an issue because the only two-body bound state is very shallow, and therefore well below the SRG softening scales. This study is extended to use leading order chiral effective field theory with large cutoffs to explore this decoupling. This builds in the same low energy physics while including spurious high energy details, including high energy bound states. The evolutions with T̂rel-SRG are compared to the evolution with Wegner's generator. During the decoupling process, the SRG can induce new non-local contributions to the interactions, which inhibits its application using Quantum Monte Carlo (QMC) methods. Separating out the non-local terms is numerically difficult. Instead an approximate separation is applied to T̂ rel-SRG evolved interactions and the nature of the

  19. Numerical simulation of wave-current interaction under strong wind conditions

    Science.gov (United States)

    Larrañaga, Marco; Osuna, Pedro; Ocampo-Torres, Francisco Javier

    2017-04-01

    Although ocean surface waves are known to play an important role in the momentum and other scalar transfer between the atmosphere and the ocean, most operational numerical models do not explicitly include the terms of wave-current interaction. In this work, a numerical analysis about the relative importance of the processes associated with the wave-current interaction under strong off-shore wind conditions in Gulf of Tehuantepec (the southern Mexican Pacific) was carried out. The numerical system includes the spectral wave model WAM and the 3D hydrodynamic model POLCOMS, with the vertical turbulent mixing parametrized by the kappa-epsilon closure model. The coupling methodology is based on the vortex-force formalism. The hydrodynamic model was forced at the open boundaries using the HYCOM database and the wave model was forced at the open boundaries by remote waves from the southern Pacific. The atmospheric forcing for both models was provided by a local implementation of the WRF model, forced at the open boundaries using the CFSR database. The preliminary analysis of the model results indicates an effect of currents on the propagation of the swell throughout the study area. The Stokes-Coriolis term have an impact on the transient Ekman transport by modifying the Ekman spiral, while the Stokes drift has an effect on the momentum advection and the production of TKE, where the later induces a deepening of the mixing layer. This study is carried out in the framework of the project CONACYT CB-2015-01 255377 and RugDiSMar Project (CONACYT 155793).

  20. Critical Behavior of a Strongly-Interacting 2D Electron System

    Science.gov (United States)

    Sarachik, Myriam P.

    2013-03-01

    Two-dimensional (2D) electron systems that obey Fermi liquid theory at high electron densities are expected to undergo one or more transitions to spatially and/or spin-ordered phases as the density is decreased, ultimately forming a Wigner crystal in the dilute, strongly-interacting limit. Interesting, unexpected behavior is observed with decreasing electron density as the electrons' interactions become increasingly important relative to their kinetic energy: the resistivity undergoes a transition from metallic to insulating temperature dependence; the resistance increases sharply and then saturates abruptly with increasing in-plane magnetic field; a number of experiments indicate that the electrons' effective mass exhibits a substantial increase approaching a finite ``critical'' density. There has been a great deal of debate concerning the underlying physics in these systems, and many have questioned whether the change of the resistivity from metallic to insulating signals a phase transition or a crossover. In this talk, I will report measurements that show that with decreasing density ns, the thermopower S of a low-disorder 2D electron system in silicon exhibits a sharp increase by more than an order of magnitude, tending to a divergence at a finite, disorder-independent density nt, consistent with the critical form (- T / S) ~(ns -nt) x with x = 1 . 0 +/- 0 . 1 (T is the temperature). Unlike the resistivity which may not clearly distinguish between a transition and crossover behavior, the thermopower provides clear evidence that a true phase transition occurs with decreasing density to a new low-density phase. Work supported by DOE Grant DE-FG02-84ER45153, BSF grant 2006375, RFBR, RAS, and the Russian Ministry of Science.

  1. Strongly self-interacting vector dark matter via freeze-in

    Science.gov (United States)

    Duch, Mateusz; Grzadkowski, Bohdan; Huang, Da

    2018-01-01

    We study a vector dark matter (VDM) model in which the dark sector couples to the Standard Model sector via a Higgs portal. If the portal coupling is small enough the VDM can be produced via the freeze-in mechanism. It turns out that the electroweak phase transition have a substantial impact on the prediction of the VDM relic density. We further assume that the dark Higgs boson which gives the VDM mass is so light that it can induce strong VDM self-interactions and solve the small-scale structure problems of the Universe. As illustrated by the latest LUX data, the extreme smallness of the Higgs portal coupling required by the freeze-in mechanism implies that the dark matter direct detection bounds are easily satisfied. However, the model is well constrained by the indirect detections of VDM from BBN, CMB, AMS-02, and diffuse γ/X-rays. Consequently, only when the dark Higgs boson mass is at most of O (keV) does there exist a parameter region which leads to a right amount of VDM relic abundance and an appropriate VDM self-scattering while satisfying all other constraints simultaneously.

  2. Strongly interacting Fermi systems in 1/N expansion: From cold atoms to color superconductivity

    International Nuclear Information System (INIS)

    Abuki, Hiroaki; Brauner, Tomas

    2008-01-01

    We investigate the 1/N expansion proposed recently as a strategy to include quantum fluctuation effects in the nonrelativistic, attractive Fermi gas at and near unitarity. We extend the previous results by calculating the next-to-leading order corrections to the critical temperature along the whole crossover from Bardeen-Cooper-Schrieffer (BCS) superconductivity to Bose-Einstein condensation. We demonstrate explicitly that the extrapolation from the mean-field approximation, based on the 1/N expansion, provides a useful approximation scheme only on the BCS side of the crossover. We then apply the technique to the study of strongly interacting relativistic many-fermion systems. Having in mind the application to color superconductivity in cold dense quark matter, we develop, within a simple model, a formalism suitable to compare the effects of order parameter fluctuations in phases with different pairing patterns. Our main conclusion is that the relative correction to the critical temperature is to a good accuracy proportional to the mean-field ratio of the critical temperature and the chemical potential. As a consequence, it is significant even rather deep in the BCS regime, where phenomenologically interesting values of the quark-quark coupling are expected. Possible impact on the phase diagram of color-superconducting quark matter is discussed.

  3. Three-dimensional RAGE Simulations of Strong Shocks Interacting with Sapphire Balls

    Science.gov (United States)

    Wilde, B. H.; Coker, R. F.; Rosen, P. A.; Foster, J. M.; Hartigan, P.; Carver, R.; Blue, B. E.; Hansen, J. F.

    2007-11-01

    The goal of our 2007-2008 NLUF experiments at the OMEGA laser facility is to investigate the physics associated with the interaction of strong shocks and jets with clumpy media. These experiments have close analogs with structures observed in a variety of astrophysical flows, including jets from young stars, outflows from planetary nebulae, and extragalactic jets. In these experiments, a multi-mega bar shock is created in a plastic layer by heating a hohlraum to 190 eV temperature with 5 kJ of laser energy. The shock enters a 0.3 g/cc RF foam into which are embedded 500 micron diameter sapphire balls. The shock shears off the ball such that it creates thin two-dimensional sheets of sapphire which subsequently break up and undergo the three-dimensional Widnall instability (Widnall, S. E., Bliss, D. B., & Tsai, C. 1974, J. Fluid Mech., 66, 35). The time evolution of the ball/balls is diagnosed with dual-axes point-projection radiography. In this poster, we discuss the results of high-resolution three-dimensional radiation-hydrodynamic simulations with the adaptive-mesh-refinement RAGE code of single and multiple balls. Comparisons with data from our August shots will be made.

  4. Introduction to gauge theories of the strong, weak, and electromagnetic interactions

    International Nuclear Information System (INIS)

    Quigg, C.

    1980-07-01

    The plan of these notes is as follows. Chapter 1 is devoted to a brief evocative review of current beliefs and prejudices that form the context for the discussion to follow. The idea of Gauge Invariance is introduced in Chapter 2, and the connection between conservation laws and symmetries of the Lagrangian is recalled. Non-Abelian gauge field theories are constructed in Chapter 3, by analogy with the familiar case of electromagnetism. The Yang-Mills theory based upon isospin symmetry is constructed explicitly, and the generalization is made to other gauge groups. Chapter 4 is concerned with spontaneous symmetry breaking and the phenomena that occur in the presence or absence of local gauge symmetries. The existence of massless scalar fields (Goldstone particles) and their metamorphosis by means of the Higgs mechanism are illustrated by simple examples. The Weinberg-Salam model is presented in Chapter 5, and a brief resume of applications to experiment is given. Quantum Chromodynamics, the gauge theory of colored quarks and gluons, is developed in Chapter 6. Asymptotic freedom is derived schematically, and a few simple applications of perturbative QCD ae exhibited. Details of the conjectured confinement mechanism are omitted. The strategy of grand unified theories of the strong, weak, and electromagnetic interactions is laid out in Chapter 7. Some properties and consequences of the minimal unifying group SU(5) are presented, and the gauge hierarchy problem is introduced in passing. The final chapter contains an essay on the current outlook: aspirations, unanswered questions, and bold scenarios

  5. Parametric analysis of the thermodynamic properties for a medium with strong interaction between particles

    International Nuclear Information System (INIS)

    Dubovitskii, V.A.; Pavlov, G.A.; Krasnikov, Yu.G.

    1996-01-01

    Thermodynamic analysis of media with strong interparticle (Coulomb) interaction is presented. A method for constructing isotherms is proposed for a medium described by a closed multicomponent thermodynamic model. The method is based on choosing an appropriate nondegenerate frame of reference in the extended space of thermodynamic variables and provides efficient thermodynamic calculations in a wide range of parameters, for an investigation of phase transitions of the first kind, and for determining both the number of phases and coexistence curves. A number of approximate thermodynamic models of hydrogen plasma are discussed. The approximation corresponding to the n5/2 law, in which the effects of particle attraction and repulsion are taken into account qualitatively, is studied. This approximation allows studies of thermodynamic properties of a substance for a wide range of parameters. In this approximation, for hydrogen at a constant temperature, various properties of the degree of ionization are revealed. In addition, the parameters of the second critical point are found under conditions corresponding to the Jovian interior

  6. Ultra-short laser interactions with nanoparticles in different media: from electromagnetic to thermal and electrostatic effects

    Science.gov (United States)

    Itina, Tatiana E.

    2017-02-01

    Key issues of the controlled synthesis of nanoparticles and nanostructures, as well as laser-particle interactions are considered in the context of the latest applications appearing in many fields such as photonics, medicine, 3D printing, etc. The results of a multi-physics numerical study of laser interaction with nanoparticles will be presented in the presence of several environments. In particular, attention will be paid to the numerical study of laser interactions with heterogeneous materials (eg. colloidal liquids and/or nanoparticles in a dielectric medium) and the aggregation/sintering/fragmentation processes induced by ultra-short laser pulses.

  7. Theory and phenomenology of strong and weak interaction high energy physics: Progress report, May 1, 1987-April 30, 1988

    International Nuclear Information System (INIS)

    Carruthers, P.; Thews, R.L.

    1988-01-01

    This paper contains progress information on the following topics in High Energy Physics: strong, electromagnetic, and weak interactions; aspects of quark-gluon models for hadronic interactions, decays, and structure; the dynamical generation of a mass gap and the role and truthfulness of perturbation theory; statistical and dynamical aspects of hadronic multiparticle production; and realization of chiral symmetry and temperature effects in supersymmetric theories

  8. A Unified Theory of Interaction: Gravitation, Electrodynamics and the Strong Force

    Directory of Open Access Journals (Sweden)

    Wagener P.

    2009-01-01

    Full Text Available A unified model of gravitation and electromagnetism is extended to derive the Yukawa potential for the strong force. The model satisfies the fundamental characteristics of the strong force and calculates the mass of the pion.

  9. I.I. Rabi in Atomic, Molecular & Optical Physics Prize Talk: Strongly Interacting Fermi Gases of Atoms and Molecules

    Science.gov (United States)

    Zwierlein, Martin

    2017-04-01

    Strongly interacting fermions govern physics at all length scales, from nuclear matter to modern electronic materials and neutron stars. The interplay of the Pauli principle with strong interactions can give rise to exotic properties that we do not understand even at a qualitative level. In recent years, ultracold Fermi gases of atoms have emerged as a new type of strongly interacting fermionic matter that can be created and studied in the laboratory with exquisite control. Feshbach resonances allow for unitarity limited interactions, leading to scale invariance, universal thermodynamics and a superfluid phase transition already at 17 Trapped in optical lattices, fermionic atoms realize the Fermi-Hubbard model, believed to capture the essence of cuprate high-temperature superconductors. Here, a microscope allows for single-atom, single-site resolved detection of density and spin correlations, revealing the Pauli hole as well as anti-ferromagnetic and doublon-hole correlations. Novel states of matter are predicted for fermions interacting via long-range dipolar interactions. As an intriguing candidate we created stable fermionic molecules of NaK at ultralow temperatures featuring large dipole moments and second-long spin coherence times. In some of the above examples the experiment outperformed the most advanced computer simulations of many-fermion systems, giving hope for a new level of understanding of strongly interacting fermions.

  10. Surface decoration through electrostatic interaction leading to enhanced reactivity: Low temperature synthesis of nanostructured chromium borides (CrB and CrB2)

    International Nuclear Information System (INIS)

    Menaka,; Kumar, Bharat; Kumar, Sandeep; Ganguli, A.K.

    2013-01-01

    The present study describes a novel low temperature route at ambient pressure for the synthesis of nanocrystalline chromium borides (CrB and CrB 2 ) without using any flux or additives. The favorable and intimate mixing of nanoparticles of chromium acetate (Cr source) and boron forms an active chromium–boron precursor which decomposes at much lower temperature (400 °C) to form CrB (which is ∼1000 °C less than the known ambient pressure synthesis). The chromium acetate nanoparticles (∼5 nm) decorate the larger boron particles (150–200 nm) due to electrostatic interactions resulting from opposing surface charges of boron (zeta potential:+48.101 mV) and chromium acetate (zeta potential:−4.021 mV) in ethanolic medium and is evident in the TEM micrographs. The above method leads to the formation of pure CrB film like structure at 400 °C and nanospheres (40–60 nm) at 600 °C. Also, chromium diboride (CrB 2 ) nanoparticles (25 nm) could be obtained at 1000 °C. - Graphical abstract: Variation of surface charge of reactants, precursor and the products, chromium borides (CrB and CrB 2 ). Highlights: ► Novel borothermal reduction process for synthesis of chromium boride. ► Significant lowering of reaction temperature to obtain nanocrystalline chromium boride. ► Enhanced reactivity due to appropriate surface interactions

  11. Polymer-surfactant interactions studied by titration microcalorimetry : Influence of polymer hydrophobicity, electrostatic forces, and surfactant aggregational state

    NARCIS (Netherlands)

    Kevelam, J; van Breemen, J.F.L.; Blokzijl, W.; Engberts, J.B.F.N.

    1996-01-01

    Isothermal titration microcalorimetry has been applied to investigate the interactions between hydrophobically-modified water-soluble polymers and surfactants. The following polymers were used in this study: poly(sodium acrylate-co-n-alkyl methacrylate) (A), where n-alkyl = C9H19, C12H25, and C18H37

  12. Correlation lengths of electrostatic turbulence

    International Nuclear Information System (INIS)

    Guiziou, L.; Garbet, X.

    1995-01-01

    In this paper, the radial correlation length of an electrostatic drift wave turbulence is analytically determined in various regimes. The analysis relies on the calculation of a range of mode non linear interaction, which is an instantaneous correlation length. The link with the usual correlation length has not been investigated yet. (TEC). 5 refs

  13. Inertial Electrostatic Confinement (IEC) devices

    International Nuclear Information System (INIS)

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

    1994-01-01

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

  14. PREFACE: Electrostatics 2015

    Science.gov (United States)

    Matthews, James

    2015-10-01

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

  15. Spacecraft Electrostatic Radiation Shielding

    Science.gov (United States)

    2008-01-01

    This project analyzed the feasibility of placing an electrostatic field around a spacecraft to provide a shield against radiation. The concept was originally proposed in the 1960s and tested on a spacecraft by the Soviet Union in the 1970s. Such tests and analyses showed that this concept is not only feasible but operational. The problem though is that most of this work was aimed at protection from 10- to 100-MeV radiation. We now appreciate that the real problem is 1- to 2-GeV radiation. So, the question is one of scaling, in both energy and size. Can electrostatic shielding be made to work at these high energy levels and can it protect an entire vehicle? After significant analysis and consideration, an electrostatic shield configuration was proposed. The selected architecture was a torus, charged to a high negative voltage, surrounding the vehicle, and a set of positively charged spheres. Van de Graaff generators were proposed as the mechanism to move charge from the vehicle to the torus to generate the fields necessary to protect the spacecraft. This design minimized complexity, residual charge, and structural forces and resolved several concerns raised during the internal critical review. But, it still is not clear if such a system is costeffective or feasible, even though several studies have indicated usefulness for radiation protection at energies lower than that of the galactic cosmic rays. Constructing such a system will require power supplies that can generate voltages 10 times that of the state of the art. Of more concern is the difficulty of maintaining the proper net charge on the entire structure and ensuring that its interaction with solar wind will not cause rapid discharge. Yet, if these concerns can be resolved, such a scheme may provide significant radiation shielding to future vehicles, without the excessive weight or complexity of other active shielding techniques.

  16. Nonlinear dynamics of resistive electrostatic drift waves

    DEFF Research Database (Denmark)

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

    1999-01-01

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

  17. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

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

  18. Proceedings of the 24. SLAC summer institute on particle physics: The strong interaction, from hadrons to partons

    Energy Technology Data Exchange (ETDEWEB)

    Chan, J.; DePorcel, L.; Dixon, L. [eds.

    1997-06-01

    This conference explored the role of the strong interaction in the physics of hadrons and partons. The Institute attracted 239 physicists from 16 countries to hear lectures on the underlying theory of Quantum Chromodynamics, modern theoretical calculational techniques, and experimental investigation of the strong interaction as it appears in various phenomena. Different regimes in which one can calculate reliably in QCD were addressed in series of lectures on perturbation theory, lattice gauge theories, and heavy quark expansions. Studies of QCD in hadron-hadron collisions, electron-positron annihilation, and electron-proton collisions all give differing perspectives on the strong interaction--from low-x to high-Q{sup 2}. Experimental understanding of the production and decay of heavy quarks as well as the lighter meson states has continued to evolve over the past years, and these topics were also covered at the School. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

  19. Experimental, theoretical, and mathematical elements for a possible Lie-admissible generalization of the notion of particle under strong interactions

    International Nuclear Information System (INIS)

    Santilli, R.M.

    1981-01-01

    A primary objective of the research is the achievement of clear experimental knowledge on the intrinsic characteristics of particles (such as magnetic moment, spin, space parity, etc.) under strong interactions. These characteristics, when known, have been measured a number of times, but all times for particles under long range electromagnetic interactions (e.g., for bubble chamber techniques). The same characteristics are then generally assumed to persist under the different physical conditions of the strong interactions, while no direct or otherwise final measurement under strong interactions exists at this time. The advocated physical knowledge is clearly important for controlled fusion, as well as for a serious study of the foundations of strong interactions. The paper initiates the study by considering the following alternatives. A: the electromagnetic characteristics of particles persist in the transition to the strong; or B: variations in these characteristics are physically conceivable, mathematically treatable, and experimentally detectable. The need to conduct additional experiments, and achieve a final resolution of the issue, is stressed throughout the paper. In the hope of contributing toward this future goal, the paper then reviews the quantitative treatment of possible deviations via the Lie-admissible generalization of Lie's theory, with particular reference to the Lie-admissible generalizations of Lie group, Lie algebras, and enveloping associative algebras. A generalized notion of extended particle under nonlocal nonpotential strong interactions emerge from these studies. The theory is applied to the re-elaboration of the data on the spinor symmetry via neutron interferometers. It is shown that the data are indeed consistent with a breaking of the SU(2)-spin symmetry due to nonlocal nonpotential forces. A number of experiments for the future resolution of the issue are indicated

  20. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    Electrostatics in Chemistry. 3. Molecular Electrostatic Potential: Visualization and Topography. Shridhar R Gadre and Pravin K Bhadane. 1 1. Basic Principles, Resona- nce, Vol.4, No.2, 11-19, 1999. 2. Electrostatic Potentials of. Atoms, Ions and Molecules,. Resonance, Vol.4, No.5, 40-51,. 1999. Topographical features of the ...

  1. Interaction of the electromagnetic precursor from a relativistic shock with the upstream flow - I. Synchrotron absorption of strong electromagnetic waves

    Science.gov (United States)

    Lyubarsky, Yuri

    2018-02-01

    This paper is the first in the series of papers aiming to study interaction of the electromagnetic precursor waves generated at the front of a relativistic shock with the upstream flow. It is motivated by a simple consideration showing that the absorption of such an electromagnetic precursor could yield an efficient transformation of the kinetic energy of the upstream flow to the energy of accelerated particles. Taking into account that the precursor is a strong wave, in which electrons oscillate with relativistic velocities, the standard plasma-radiation interaction processes should be reconsidered. In this paper, I calculate the synchrotron absorption of strong electromagnetic waves.

  2. The significance of a new correspondence principle for electromagnetic interaction in strong optical field ionisation

    International Nuclear Information System (INIS)

    Boreham, B. W.; Hora, H.

    1997-01-01

    We have recently developed a correspondence principle for electromagnetic interaction. When applied to laser interactions with electrons this correspondence principle identifies a critical laser intensity I*. This critical intensity is a transition intensity separating classical mechanical and quantum mechanical interaction regimes. In this paper we discuss the further application of I* to the interaction of bound electrons in atoms. By comparing I* with the ionisation threshold intensities as calculated from a cycle-averaged simple-atom model we conclude that I* can be usefully interpreted as a lower bound to the classical regime in studies of ionisation of gas atoms by intense laser beams

  3. Experimental investigation of the impact of compound-specific dispersion and electrostatic interactions on transient transport and solute breakthrough

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2017-01-01

    -dimensional flow-through setup using pulse injection of multiple tracers (both uncharged and ionic species). Extensive sampling and measurement of solutes' concentrations (∼1500 samples; >3000 measurements) were performed at the outlet of the flow-through setup, at high spatial and temporal resolution....... The experimental results show that compound-specific effects and charge-induced Coulombic interactions are important not only at low velocities and/or for steady state plumes but also for transient transport under high flow velocities. Such effects can lead to a remarkably different behavior of measured...... breakthrough curves also at very high Péclet numbers. To quantitatively interpret the experimental results, we used four modeling approaches: classical advection-dispersion equation (ADE), continuous time random walk (CTRW), dual-domain mass transfer model (DDMT), and a multicomponent ionic dispersion model...

  4. Uncovering new strong dynamics via topological interactions at the 100 TeV collider

    DEFF Research Database (Denmark)

    Molinaro, Emiliano; Sannino, Francesco; Thomsen, Anders Eller

    2017-01-01

    In models of composite Higgs dynamics, new composite pseudoscalars can interact with the Higgs and electroweak gauge bosons via anomalous interactions, stemming from the topological sector of the underlying theory. We show that a future 100 TeV proton-proton collider (FCC-pp) will be able to test...

  5. Specific Electrostatic Molecular Recognition in Water

    DEFF Research Database (Denmark)

    Li, Ming; Hoeck, Casper; Schoffelen, Sanne

    2016-01-01

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

  6. Affinity improvement of a therapeutic antibody by structure-based computational design: generation of electrostatic interactions in the transition state stabilizes the antibody-antigen complex.

    Directory of Open Access Journals (Sweden)

    Masato Kiyoshi

    Full Text Available The optimization of antibodies is a desirable goal towards the development of better therapeutic strategies. The antibody 11K2 was previously developed as a therapeutic tool for inflammatory diseases, and displays very high affinity (4.6 pM for its antigen the chemokine MCP-1 (monocyte chemo-attractant protein-1. We have employed a virtual library of mutations of 11K2 to identify antibody variants of potentially higher affinity, and to establish benchmarks in the engineering of a mature therapeutic antibody. The most promising candidates identified in the virtual screening were examined by surface plasmon resonance to validate the computational predictions, and to characterize their binding affinity and key thermodynamic properties in detail. Only mutations in the light-chain of the antibody are effective at enhancing its affinity for the antigen in vitro, suggesting that the interaction surface of the heavy-chain (dominated by the hot-spot residue Phe101 is not amenable to optimization. The single-mutation with the highest affinity is L-N31R (4.6-fold higher affinity than wild-type antibody. Importantly, all the single-mutations showing increase affinity incorporate a charged residue (Arg, Asp, or Glu. The characterization of the relevant thermodynamic parameters clarifies the energetic mechanism. Essentially, the formation of new electrostatic interactions early in the binding reaction coordinate (transition state or earlier benefits the durability of the antibody-antigen complex. The combination of in silico calculations and thermodynamic analysis is an effective strategy to improve the affinity of a matured therapeutic antibody.

  7. Impact of short range hydrophobic interactions and long range electrostatic forces on the aggregation kinetics of a monoclonal antibody and a dual-variable domain immunoglobulin at low and high concentrations.

    Science.gov (United States)

    Kumar, Vineet; Dixit, Nitin; Zhou, Liqiang Lisa; Fraunhofer, Wolfgang

    2011-12-12

    The purpose of this work was to determine the nature of long and short-range forces governing protein aggregation kinetics at low and high concentrations for a monoclonal antibody (IgG1) and a dual-variable-domain immunoglobulin (DVD-Ig). Protein-protein interactions (PPI) were studied under dilute conditions by utilizing the methods of static (B(22)) and dynamic light scattering (k(D)). PPI in solutions containing minimal ionic strengths were characterized to get detailed insights into the impact of ionic strength on aggregation. Microcalorimetry and susceptibility to denature at air-liquid interface were used to assess the tertiary structure and quiescent stability studies were conducted to study aggregation characteristics. Results for IgG1 showed that electrostatic interactions governed protein aggregation kinetics both under dilute and concentrated conditions (i.e., 5 mg/mL and 150 mg/mL). For DVD-Ig molecules, on the other hand, although electrostatic interactions governed protein aggregation under dilute conditions, hydrophobic forces clearly determined the kinetics at high concentrations. This manuscript shows for the first time that short-range hydrophobic interactions can outweigh electrostatic forces and play an important role in determining protein aggregation at high concentrations. Additionally, results show that although higher-order virial coefficients become significant under low ionic strength conditions, removal of added charges may be used to enhance the aggregation stability of dilute protein formulations. Copyright © 2011 Elsevier B.V. All rights reserved.

  8. Electrostatics of patchy surfaces.

    Science.gov (United States)

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

    2017-09-01

    In the study of colloidal, biological and electrochemical systems, it is customary to treat surfaces, macromolecules and electrodes as homogeneously charged. This simplified approach is proven successful in most cases, but fails to describe a wide range of heterogeneously charged surfaces commonly used in experiments. For example, recent experiments have revealed a long-range attraction between overall neutral surfaces, locally charged in a mosaic-like structure of positively and negatively charged domains ("patches"). Here, we review experimental and theoretical studies addressing the stability of heterogeneously charged surfaces, their effect on ionic profiles in solution, and the interaction between two such surfaces. We focus on electrostatics, and highlight the important new physical parameters appearing in the heterogeneous case, such as the largest patch size and inter-surface charge correlations. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Scale-up of Λ3 : Massive gravity with a higher strong interaction scale

    Science.gov (United States)

    Gabadadze, Gregory

    2017-10-01

    Pure massive gravity is strongly coupled at a certain low scale, known as Λ3. I show that the theory can be embedded into another one, with new light degrees of freedom, to increase the strong scale to a significantly larger value. Certain universal aspects of the proposed mechanism are discussed, notably that the coupling of the longitudinal mode to a stress tensor is suppressed, thus making the linear theory consistent with the fifth-force exclusion. An example of the embedding theory studied in detail is five-dimensional anti-de Sitter massive gravity, with a large cosmological constant. In this example, the four-dimensional (4D) strong scale can be increased by 19 orders of magnitude. Holographic duality then suggests that the strong scale of the 4D massive gravity can be increased by coupling it to a 4D nonlocal conformal field theory, endowed with a UV cutoff; however, the five-dimensional classical gravity picture appears to be more tractable.

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

    NARCIS (Netherlands)

    Lyklema, J.; Deschênes, L.

    2011-01-01

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

  11. Metal-insulator transition in SrIrO3 with strong spin-orbit interaction.

    Science.gov (United States)

    Wu, Fei-Xiang; Zhou, Jian; Zhang, L Y; Chen, Y B; Zhang, Shan-Tao; Gu, Zheng-Bin; Yao, Shu-Hua; Chen, Yan-Feng

    2013-03-27

    The thickness-dependent metal-insulator transition is observed in meta-stable orthorhombic SrIrO3 thin films synthesized by pulsed laser deposition. SrIrO3 films with thicknesses less than 3 nm demonstrate insulating behaviour, whereas those thicker than 4 nm exhibit metallic conductivity at high temperature, and insulating-like behaviour at low temperature. Weak/Anderson localization is mainly responsible for the observed thickness-dependent metal-insulator transition in SrIrO3 films. Temperature-dependent resistance fitting shows that electrical-conductivity carriers are mainly scattered by the electron-boson interaction rather than the electron-electron interaction. Analysis of the magneto-conductance proves that the spin-orbit interaction plays a crucial role in the magneto-conductance property of SrIrO3.

  12. Strongly interacting vector bosons at the CERN LHC Quartic anomalous couplings

    CERN Document Server

    Belyaev, A; González-Garciá, M Concepción; Mizukoshi, J K; Novaes, S F; Zacharov, I E

    1999-01-01

    We analyze the potential of the CERN Large Hadron Collider to study anomalous quartic vector--boson interactions through the production of vector--boson pairs accompanied by jets. In the framework of $SU(2)_L \\otimes U(1)_Y$ chiral Lagrangians, we examine all effective operators of order $p^4$ that lead to new four--gauge--boson interactions but do not alter trilinear vertices. In our analyses, we perform the full tree level calculation of the processes leading to two jets plus vector--boson pairs, $W^+W^-$, $W^\\pm W^\\pm$, $W^\\pm Z$, or $ZZ$, taking properly into account the interference between the standard model and the anomalous contributions. We obtain the bounds that can be placed on the anomalous quartic interactions and we study the strategies to distinguish the possible new couplings.

  13. A model-independent description of few-body system with strong interaction

    International Nuclear Information System (INIS)

    Simenog, I.V.

    1985-01-01

    In this contribution, the authors discuss the formulation of equations that provide model-independent description of systems of three and more nucleons irrespective of the details of the interaction, substantiate the approach, estimate the correction terms with respect to the force range, and give basic qualitative results obtained by means of the model-independent procedure. They consider three nucleons in the doublet state (spin S=I/2) taking into account only S-interaction. The elastic nd-scattering amplitude may be found from the model-independent equations that follow from the Faddeev equations in the short-range-force limit. They note that the solutions of several model-independent equations and basic results obtained with the use of this approach may serve both as a standard solution and starting point in the discussion of various conceptions concerning the details of nuclear interactions

  14. The strong interaction at the collider and cosmic-rays frontiers

    CERN Document Server

    d'Enterria, David; Pierog, Tanguy; Ostapchenko, Sergey; Werner, Klaus

    2012-01-01

    First data on inclusive particle production measured in proton-proton collisions at the Large Hadron Collider (LHC) are compared to predictions of various hadron-interaction Monte Carlos (QGSJET, EPOS and SIBYLL) used commonly in high-energy cosmic-ray physics. While reasonable overall agreement is found for some of the models, none of them reproduces consistently the sqrt(s) evolution of all the measured observables. We discuss the implications of the new LHC data for the modeling of the non-perturbative and semihard parton dynamics in hadron-hadron and cosmic-rays interactions at the highest energies studied today.

  15. Potential of future seismogenesis in Hebei Province (NE China) due to stress interactions between strong earthquakes

    Science.gov (United States)

    Karakostas, Vassilios; Papadimitriou, Eleftheria; Jin, Xueshen; Liu, Zhihui; Paradisopoulou, Parthena; He, Zhang

    2013-10-01

    Northeast China, a densely populated area, is affected by intense seismic activity, which includes large events that caused extensive disaster and tremendous loss of life. For contributing to the continuous efforts for seismic hazard assessment, the earthquake potential from the active faults near the cities of Zhangjiakou and Langfang in Hebei Province is examined. We estimate the effect of the coseismic stress changes of strong (M ⩾ 5.0) earthquakes on the major regional active faults, and mapped Coulomb stress change onto these target faults. More importantly our calculations reveal that positive stress changes caused by the largest events of the 1976 Tangshan sequence make the Xiadian and part of Daxing fault, thus considered the most likely sites of the next strong earthquake in the study area. The accumulated static stress changes that reached a value of up to 0.4 bar onto these faults, were subsequently incorporated in earthquake probability estimates for the next 30 years.

  16. Spectral asymptotics of a strong delta ' interaction on a planar loop

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Jex, M.

    2013-01-01

    Roč. 46, č. 34 (2013), s. 345201 ISSN 1751-8113 R&D Projects: GA ČR GAP203/11/0701 Institutional support: RVO:61389005 Keywords : Schrodinger operators * strong coupling asymptotics Subject RIV: BE - Theoretical Physics Impact factor: 1.687, year: 2013 http://iopscience.iop.org/1751-8121/46/34/345201/pdf/1751-8121_46_34_345201.pdf

  17. Strong indirect interactions of Tarsonemus mites (Acarina: Tarsonemidae) and Dendroctonus frontalis (Coleoptera: Scolytidae)

    Science.gov (United States)

    Maria J. Lombardero; Matthew P. Ayres; Richard W. Hofstetter; John C. Moser; Kier D. Lepzig

    2003-01-01

    Phoretic mites of bark beetles are classic examples of commensal ectosymbionts. However, many such mites appear to have mutualisms with fungi that could themselves interact with beetles. We tested for indirect effects of phoretic mites on Dendroctonus frontalis, which auacks and kills pine trees in North America. Tarsonemus mites...

  18. Numerical investigation into strong axis bending shear interaction in rolled I-shaped steel sections

    NARCIS (Netherlands)

    Dekker, R.W.A.; Snijder, B.H.; Maljaars, J.

    2016-01-01

    Clause 6.2.8 of EN 1993-1-1 covers the design rules on bending-shear resistance, taking presence of shear into account by a reduced yield stress for the shear area. Numerical research on bending-shear interaction by means of the Abaqus Finite Element modelling soft-ware is presented. The numerical

  19. When polarons meet polaritons: Exciton-vibration interactions in organic molecules strongly coupled to confined light fields

    Science.gov (United States)

    Wu, Ning; Feist, Johannes; Garcia-Vidal, Francisco J.

    2016-11-01

    We present a microscopic semianalytical theory for the description of organic molecules interacting strongly with a cavity mode. Exciton-vibration coupling within the molecule and exciton-cavity interaction are treated on an equal footing by employing a temperature-dependent variational approach. The interplay between strong exciton-vibration coupling and strong exciton-cavity coupling gives rise to a hybrid ground state, which we refer to as the lower polaron polariton. Explicit expressions for the ground-state wave function, the zero-temperature quasiparticle weight of the lower polaron polariton, the photoluminescence line strength, and the mean number of vibrational quanta are obtained in terms of the optimal variational parameters. The dependence of these quantities upon the exciton-cavity coupling strength reveals that strong cavity coupling leads to an enhanced vibrational dressing of the cavity mode, and at the same time a vibrational decoupling of the dark excitons, which in turn results in a lower polaron polariton resembling a single-mode dressed bare lower polariton in the strong-coupling regime. Thermal effects on several observables are briefly discussed.

  20. Studies on the independence of the strong interactions on the flavor quantum numbers with bottom, charm, strange, and light quarks

    International Nuclear Information System (INIS)

    Biebel, O.

    1993-11-01

    A study of possible flavour dependence of the strong interaction is presented using data collected with the OPAL detector at the e + e - collider LEP. Four subsamples of events, highly enriched in bottom, charm, strange and light quarks are obtained from high momentum electrons and muons, D *± mesons, K s 0 mesons, and highly energetic stable charged particles, respectively. From the jet production rates of each of these four samples a strong coupling constant α s f for the dominant quark flavour is derived. The ratios of α s for a specific quark flavour f and its complementary flavours are determined to be α s b /α s udsc =1.017±0.036, α s c /α s udsb =0.918±0.115, α s s /α s udcb =1.158±0.164, α s uds /α s cb =1.038 ± 0.221, where the errors are combinations of statistical and systematic uncertainties. In combining the relevant data samples, a systematic study of possible dependence of the strong interaction on quark mass, weak isospin, and generation is performed. No evidence for any such dependence of the strong coupling constant α s is observed. Finally all samples are combined to determine the strong coupling constant of each flavour individually. Again the results are well consistent with the flavour independence of QCD. (orig.)

  1. Strong electron-phonon interaction in the high-Tc superconductors: Evidence from the infrared

    International Nuclear Information System (INIS)

    Timusk, T.; Porter, C.D.; Tanner, D.B.

    1991-01-01

    We show that low-frequency structure in the infrared reflectance of the high-temperature superconductor YBa 2 Cu 3 O 7 results from the electron-phonon interaction. Characteristic antiresonant line shapes are seen in the phonon region of the spectrum and the frequency-dependent scattering rate of the mid-infrared electronic continuum has peaks at 150 cm -1 (19 meV) and at 360 cm -1 (45 meV) in good agreement with phonon density-of-states peaks in neutron time-of-flight spectra that develop in superconducting samples. The interaction between the phonons and the charge carriers can be understood in terms of a charged-phonon model

  2. Electrostatic Focusing of Cesium Atoms in a Fountain

    Science.gov (United States)

    Gould, Harvey; Amini, Jason; Kalnins, Juris

    2004-05-01

    We have used a three element electrostatic lens, based upon the design in Ref. 1, to transversely focus a fountain of neutral cesium atoms (strong-field seeking) launched from a magneto-optic trap. Each of the three lens elements focuses in one transverse direction and defocuses in the other. Combined, the elements generate a net focusing in both transverse directions. Observations are compared with calculations. Collisional shifts in atomic fountain clocks could be significantly reduced, without loss of signal, by using electrostatic lenses and collimation. Focusing and collimation allows only atoms that will reach the detector to enter the interaction region, excluding atoms that contribute solely to collisional shifts. [1] J.G. Kalnins, G. Lambertson, and H. Gould, Rev. Sci. Instr. 73, 2557 (2002)

  3. Application of the CIP Method to Strongly Nonlinear Wave-Body Interaction Problems

    OpenAIRE

    Zhu, Xinying

    2006-01-01

    Water entry and exit, green water on deck, sloshing in tanks and capsizing in intact and damaged conditions are examples on violent fluid motion. The combination of model tests, theoretical analysis and Computational Fluid Dynamics (CFD) methods is emphasized in treating these problems. Because mixing of air and liquid may occur, the interaction between the flow in the air and in the liquid ought to be considered in numerical simulations. Further, the mixing of air and liquid represents a sca...

  4. On the starting process of strongly nonlinear vortex/Rayleigh-wave interactions

    OpenAIRE

    BROWN, P. G.; BROWN, S. N.; SMITH, F. T.; TIMOSHIN, S. N.

    1993-01-01

    An oncoming two-dimensional laminar boundary layer that develops an unstable inflection point and becomes three-dimensional is described by the Hall-Smith (1991) vortex/wave interaction equations. These equations are now examined in the neighbourhood of the position where the critical surface starts to form. A consistent structure is established in which an inviscid core flow is matched to a viscous buffer-layer solution where the appropriate jump condition on the transverse shear stress is s...

  5. Second sound in a two-dimensional Bose gas: From the weakly to the strongly interacting regime

    Science.gov (United States)

    Ota, Miki; Stringari, Sandro

    2018-03-01

    Using Landau's theory of two-fluid hydrodynamics, we investigate first and second sounds propagating in a two-dimensional (2D) Bose gas. We study the temperature and interaction dependence of both sound modes and show that their behavior exhibits a deep qualitative change as the gas evolves from the weakly interacting to the strongly interacting regime. Special emphasis is placed on the jump of both sounds at the Berezinskii-Kosterlitz-Thouless transition, caused by the discontinuity of the superfluid density. We find that the excitation of second sound through a density perturbation becomes weaker and weaker as the interaction strength increases as a consequence of the decrease in the thermal expansion coefficient. Our results could be relevant for future experiments on the propagation of sound on the Bose-Einstein condensate (BEC) side of the BCS-BEC crossover of a 2D superfluid Fermi gas.

  6. Renormalization-Group Transformations Under Strong Mixing Conditions: Gibbsianness and Convergence of Renormalized Interactions

    Science.gov (United States)

    Bertini, Lorenzo; Cirillo, Emilio N. M.; Olivieri, Enzo

    1999-12-01

    In this paper we study a renormalization-group map: the block averaging transformation applied to Gibbs measures relative to a class of finite-range lattice gases, when suitable strong mixing conditions are satisfied. Using a block decimation procedure, cluster expansion, and detailed comparison between statistical ensembles, we are able to prove Gibbsianness and convergence to a trivial (i.e., Gaussian and product) fixed point. Our results apply to the 2D standard Ising model at any temperature above the critical one and arbitrary magnetic field.

  7. CLEO-c and CESR-c: A new frontier in strong and weak interactions

    Energy Technology Data Exchange (ETDEWEB)

    Richichi, Stephen J

    2003-06-01

    We report on the physics potential of a charm and QCD factory, based on a proposal for the conversion of the existing CESR machine and CLEO detector: ''CESR-c and OLEO-c''. Such a facility will make major contributions to the field of quark flavor physics in this decade. It may also provide the best chance for understanding non-perturbative QCD, which is essential to understanding the strongly-coupled sectors of the new physics that lies beyond the Standard Model.

  8. CLEO-c and CESR-c: A new frontier in strong and weak interactions

    Science.gov (United States)

    Richichi, Stephen J.

    2003-06-01

    We report on the physics potential of a charm and QCD factory, based on a proposal for the conversion of the existing CESR machine and CLEO detector: "CESR-c and OLEO-c". Such a facility will make major contributions to the field of quark flavor physics in this decade. It may also provide the best chance for understanding non-perturbative QCD, which is essential to understanding the strongly-coupled sectors of the new physics that lies beyond the Standard Model.

  9. CLEO-c and CESR-c: A new frontier in strong and weak interactions

    International Nuclear Information System (INIS)

    Richichi, Stephen J.

    2003-01-01

    We report on the physics potential of a charm and QCD factory, based on a proposal for the conversion of the existing CESR machine and CLEO detector: ''CESR-c and OLEO-c''. Such a facility will make major contributions to the field of quark flavor physics in this decade. It may also provide the best chance for understanding non-perturbative QCD, which is essential to understanding the strongly-coupled sectors of the new physics that lies beyond the Standard Model

  10. Final Report - Composite Fermion Approach to Strongly Interacting Quasi Two Dimensional Electron Gas Systems

    Energy Technology Data Exchange (ETDEWEB)

    Quinn, John

    2009-11-30

    Work related to this project introduced the idea of an effective monopole strength Q* that acted as the effective angular momentum of the lowest shell of composite Fermions (CF). This allowed us to predict the angular momentum of the lowest band of energy states for any value of the applied magnetic field simply by determining N{sub QP} the number of quasielectrons (QE) or quasiholes (QH) in a partially filled CF shell and adding angular momenta of the N{sub QP} Fermions excitations. The approach reported treated the filled CF level as a vacuum state which could support QE and QH excitations. Numerical diagonalization of small systems allowed us to determine the angular momenta, the energy, and the pair interaction energies of these elementary excitations. The spectra of low energy states could then be evaluated in a Fermi liquid-like picture, treating the much smaller number of quasiparticles and their interactions instead of the larger system of N electrons with Coulomb interactions.

  11. Strong electromagnetic pulses generated in high-intensity laser-matter interactions

    Science.gov (United States)

    Rączka, P.; Dubois, J.-L.; Hulin, S.; Rosiński, M.; Zaraś-Szydłowska, A.; Badziak, J.

    2018-01-01

    Results are reported of an experiment performed at the Eclipse laser facility in CELIA, Bordeaux, on the generation of strong electromagnetic pulses. Measurements were performed of the target neutralization current, the total target charge and the tangential component of the magnetic field for the laser energies ranging from 45 mJ to 92 mJ with the pulse duration approximately 40 fs, and for the pulse durations ranging from 39 fs to 1000 fs, with the laser energy approximately 90 mJ. It was found that the values obtained for thick (mm scale) Cu targets are visibly higher than values reported in previous experiments, which is argued to be a manifestation of a strong dependence of the target electric polarization process on the laser contrast and hence on the amount of preplasma. It was also found that values obtained for thin (μm scale) Al foils were visibly higher than values for thick Cu targets, especially for pulse durations longer than 100 fs. The correlations between the total target charge versus the maximum value of the target neutralization current, and the maximum value of the tangential component of the magnetic field versus the total target charge were analysed. They were found to be in very good agreement with correlations seen in data from previous experiments, which provides a good consistency check on our experimental procedures.

  12. Embedding beyond electrostatics

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  13. Metastability and avalanche dynamics in strongly correlated gases with long-range interactions

    Science.gov (United States)

    Hruby, Lorenz; Dogra, Nishant; Landini, Manuele; Donner, Tobias; Esslinger, Tilman

    2018-03-01

    We experimentally study the stability of a bosonic Mott insulator against the formation of a density wave induced by long-range interactions and characterize the intrinsic dynamics between these two states. The Mott insulator is created in a quantum degenerate gas of 87-Rubidium atoms, trapped in a 3D optical lattice. The gas is located inside and globally coupled to an optical cavity. This causes interactions of global range, mediated by photons dispersively scattered between a transverse lattice and the cavity. The scattering comes with an atomic density modulation, which is measured by the photon flux leaking from the cavity. We initialize the system in a Mott-insulating state and then rapidly increase the global coupling strength. We observe that the system falls into either of two distinct final states. One is characterized by a low photon flux, signaling a Mott insulator, and the other is characterized by a high photon flux, which we associate with a density wave. Ramping the global coupling slowly, we observe a hysteresis loop between the two states—a further signature of metastability. A comparison with a theoretical model confirms that the metastability originates in the competition between short- and global-range interactions. From the increasing photon flux monitored during the switching process, we find that several thousand atoms tunnel to a neighboring site on the timescale of the single-particle dynamics. We argue that a density modulation, initially forming in the compressible surface of the trapped gas, triggers an avalanche tunneling process in the Mott-insulating region.

  14. Relaxation of strongly coupled Coulomb systems after rapid changes of the interaction potential

    CERN Document Server

    Gericke, D O; Semkat, D; Bonitz, M; Kremp, D

    2003-01-01

    The relaxation of charged particle systems after sudden changes of the pair interaction strength is investigated. As examples, we show the results for plasmas after ionization and after a rapid change of screening. Comparisons are made between molecular dynamics simulation and a kinetic description based on the Kadanoff-Baym equations. We found the latter very sensitive to the way the scattering cross section is treated. We also predict the new equilibrium state requiring only conservation of energy. In this case, the correlation energy is computed using the hypernetted chain approximation.

  15. Stability condition of a strongly interacting boson-fermion mixture across an interspecies Feshbach resonance

    International Nuclear Information System (INIS)

    Yu Zengqiang; Zhai Hui; Zhang Shizhong

    2011-01-01

    We study the properties of dilute bosons immersed in a single-component Fermi sea across a broad boson-fermion Feshbach resonance. The stability of the mixture requires that the bare interaction between bosons exceeds a critical value, which is a universal function of the boson-fermion scattering length, and exhibits a maximum in the unitary region. We calculate the quantum depletion, momentum distribution, and the boson contact parameter across the resonance. The transition from condensate to molecular Fermi gas is also discussed.

  16. Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Schriber, Jeffrey B.; Evangelista, Francesco A. [Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322 (United States)

    2016-04-28

    We introduce a new procedure for iterative selection of determinant spaces capable of describing highly correlated systems. This adaptive configuration interaction (ACI) determines an optimal basis by an iterative procedure in which the determinant space is expanded and coarse grained until self-consistency. Two importance criteria control the selection process and tune the ACI to a user-defined level of accuracy. The ACI is shown to yield potential energy curves of N{sub 2} with nearly constant errors, and it predicts singlet-triplet splittings of acenes up to decacene that are in good agreement with the density matrix renormalization group.

  17. Use of Synergistic Interactions to Fabricate Strong, Tough, and Conductive Artificial Nacre Based on Graphene Oxide and Chitosan.

    Science.gov (United States)

    Wan, Sijie; Peng, Jingsong; Li, Yuchen; Hu, Han; Jiang, Lei; Cheng, Qunfeng

    2015-10-27

    Graphene is the strongest and stiffest material, leading to the development of promising applications in many fields. However, the assembly of graphene nanosheets into macrosized nanocomposites for practical applications remains a challenge. Nacre in its natural form sets the "gold standard" for toughness and strength, which serves as a guide to the assembly of graphene nanosheets into high-performance nanocomposites. Here we show the strong, tough, conductive artificial nacre based on graphene oxide through synergistic interactions of hydrogen and covalent bonding. Tensile strength and toughness was 4 and 10 times higher, respectively, than that of natural nacre. The exceptional integrated strong and tough artificial nacre has promising applications in aerospace, artificial muscle, and tissue engineering, especially for flexible supercapacitor electrodes due to its high electrical conductivity. The use of synergistic interactions is a strategy for the development of high-performance nanocomposites.

  18. Comparing the epidermal growth factor interaction with four different cell lines: intriguing effects imply strong dependency of cellular context.

    Directory of Open Access Journals (Sweden)

    Hanna Björkelund

    Full Text Available The interaction of the epidermal growth factor (EGF with its receptor (EGFR is known to be complex, and the common over-expression of EGF receptor family members in a multitude of tumors makes it important to decipher this interaction and the following signaling pathways. We have investigated the affinity and kinetics of (125I-EGF binding to EGFR in four human tumor cell lines, each using four culturing conditions, in real time by use of LigandTracer®.Highly repeatable and precise measurements show that the overall apparent affinity of the (125I-EGF - EGFR interaction is greatly dependent on cell line at normal culturing conditions, ranging from K(D ≈ 200 pM on SKBR3 cells to K(D≈8 nM on A431 cells. The (125I-EGF - EGFR binding curves (irrespective of cell line have strong signs of multiple simultaneous interactions. Furthermore, for the cell lines A431 and SKOV3, gefitinib treatment increases the (125I-EGF - EGFR affinity, in particular when the cells are starved. The (125I-EGF - EGFR interaction on cell line U343 is sensitive to starvation while as on SKBR3 it is insensitive to gefitinib and starvation.The intriguing pattern of the binding characteristics proves that the cellular context is important when deciphering how EGF interacts with EGFR. From a general perspective, care is advisable when generalizing ligand-receptor interaction results across multiple cell-lines.

  19. Equilibration of a strongly interacting plasma: holographic analysis of local and nonlocal probes

    Directory of Open Access Journals (Sweden)

    Bellantuono Loredana

    2016-01-01

    Full Text Available The relaxation of a strongly coupled plasma towards the hydrodynamic regime is studied by analyzing the evolution of local and nonlocal observables in the holographic approach. The system is driven in an initial anisotropic and far-from equilibrium state through an impulsive time-dependent deformation (quench of the boundary spacetime geometry. Effective temperature and entropy density are related to the position and area of a black hole horizon, which has formed as a consequence of the distortion. The behavior of stress-energy tensor, equal-time correlation functions and Wilson loops of different shapes is examined, and a hierarchy among their thermalization times emerges: probes involving shorter length scales thermalize faster.

  20. Nonlinear interaction of charged particles with strong laser pulses in a gaseous media

    Directory of Open Access Journals (Sweden)

    H. K. Avetissian

    2007-07-01

    Full Text Available The charged particles nonlinear dynamics in the field of a strong electromagnetic wave pulse of finite duration and certain form of the envelope, in the refractive medium with a constant and variable refraction indexes, is investigated by means of numerical integration of the classical relativistic equations of motion. The particle energy dependence on the pulse intensity manifests the nonlinear threshold phenomenon of a particle reflection and capture by actual laser pulses in dielectric-gaseous media that takes place for a plane electromagnetic wave in the induced Cherenkov process. Laser acceleration of the particles in the result of the reflection from the pulse envelope and in the capture regime with the variable refraction index along the pulse propagation direction is investigated.

  1. Strongly coupled interaction between a ridge of fluid and an inviscid airflow

    KAUST Repository

    Paterson, C.

    2015-07-01

    © 2015 AIP Publishing LLC. The behaviour of a steady thin sessile or pendent ridge of fluid on an inclined planar substrate which is strongly coupled to the external pressure gradient arising from an inviscid airflow parallel to the substrate far from the ridge is described. When the substrate is nearly horizontal, a very wide ridge can be supported against gravity by capillary and/or external pressure forces; otherwise, only a narrower (but still wide) ridge can be supported. Classical thin-aerofoil theory is adapted to obtain the governing singular integro-differential equation for the profile of the ridge in each case. Attention is focused mainly on the case of a very wide sessile ridge. The effect of strengthening the airflow is to push a pinned ridge down near to its edges and to pull it up near to its middle. At a critical airflow strength, the upslope contact angle reaches the receding contact angle at which the upslope contact line de-pins, and continuing to increase the airflow strength beyond this critical value results in the de-pinned ridge becoming narrower, thicker, and closer to being symmetric in the limit of a strong airflow. The effect of tilting the substrate is to skew a pinned ridge in the downslope direction. Depending on the values of the advancing and receding contact angles, the ridge may first de-pin at either the upslope or the downslope contact line but, in general, eventually both contact lines de-pin. The special cases in which only one of the contact lines de-pins are also considered. It is also shown that the behaviour of a very wide pendent ridge is qualitatively similar to that of a very wide sessile ridge, while the important qualitative difference between the behaviour of a very wide ridge and a narrower ridge is that, in general, for the latter one or both of the contact lines may never de-pin.

  2. Strong interaction between graphene layer and Fano resonance in terahertz metamaterials

    Science.gov (United States)

    Xiao, Shuyuan; Wang, Tao; Jiang, Xiaoyun; Yan, Xicheng; Cheng, Le; Wang, Boyun; Xu, Chen

    2017-05-01

    Graphene has emerged as a promising building block in modern optics and optoelectronics due to its novel optical and electrical properties. In the mid-infrared and terahertz (THz) regime, graphene behaves like metals and supports surface plasmon resonances (SPRs). Moreover, the continuously tunable conductivity of graphene enables active SPRs and gives rise to a range of active applications. However, the interaction between graphene and metal-based resonant metamaterials has not been fully understood. In this work, a simulation investigation on the interaction between the graphene layer and THz resonances supported by the two-gap split ring metamaterials is systematically conducted. The simulation results show that the graphene layer can substantially reduce the Fano resonance and even switch it off, while leaving the dipole resonance nearly unaffected, which is well explained with the high conductivity of graphene. With the manipulation of graphene conductivity via altering its Fermi energy or layer number, the amplitude of the Fano resonance can be modulated. The tunable Fano resonance here together with the underlying physical mechanism can be strategically important in designing active metal-graphene hybrid metamaterials. In addition, the ‘sensitivity’ to the graphene layer of the Fano resonance is also highly appreciated in the field of ultrasensitive sensing, where the novel physical mechanism can be employed in sensing other graphene-like two-dimensional materials or biomolecules with the high conductivity.

  3. Tunable self-assembled spin chains of strongly interacting cold atoms for demonstration of reliable quantum state transfer

    DEFF Research Database (Denmark)

    Loft, N. J. S.; Marchukov, O. V.; Petrosyan, D.

    2016-01-01

    We have developed an efficient computational method to treat long, one-dimensional systems of strongly-interacting atoms forming self-assembled spin chains. Such systems can be used to realize many spin chain model Hamiltonians tunable by the external confining potential. As a concrete...... demonstration, we consider quantum state transfer in a Heisenberg spin chain and we show how to determine the confining potential in order to obtain nearly-perfect state transfer....

  4. Strong electromagnetic pulses generated in laser-matter interactions with 10TW-class fs laser

    Science.gov (United States)

    Rączka, Piotr; Rosiński, Marcin; Zaraś-Szydłowska, Agnieszka; Wołowski, Jerzy; Badziak, Jan

    2018-01-01

    The results of an experiment on the generation of electromagnetic pulses (EMP) in the interaction of 10TW fs pulses with thick (mm scale) and thin foil (μm scale) targets are described. Such pulses, with frequencies in the GHz range, may pose a threat to safe and reliable operation of high-power, high-intensity laser facilities. The main point of the experiment is to investigate the fine temporal structure of such pulses using an oscilloscope capable of measurements at very high sampling rate. It is found that the amazing reproducibility of such pulses is confirmed at this high sampling rate. Furthermore, the differences between the EMP signals generated from thick and thin foil targets are clearly seen, which indicates that besides electric polarization of the target and the target neutralization current there may be other factors essential for the EMP emission.

  5. Radio and X-Ray Observations of SN 2006jd: Another Strongly Interacting Type IIn Supernova

    Science.gov (United States)

    Chandra, Poonam; Chevalier, Roger A.; Chugai, Nikolai; Fransson, Claes; Irwin, Christopher M.; Soderberg, Alicia M.; Chakraborti, Sayan; Immler, Stefan

    2012-01-01

    We report four years of radio and X-ray monitoring of the Type IIn supernova SN 2006jd at radio wavelengths with the Very Large Array, Giant Metrewave Radio Telescope and Expanded Very Large Array at X-ray wavelengths with Chandra, XMM-Newton and Swift-XRT. We assume that the radio and X-ray emitting particles are produced by shock interaction with a dense circumstellar medium. The radio emission shows an initial rise that can be attributed to free-free absorption by cool gas mixed into the nonthermal emitting region external free-free absorption is disfavored because of the shape of the rising light curves and the low gas column density inferred along the line of sight to the emission region. The X-ray luminosity implies a preshock circumstellar density approximately 10(exp 6) per cubic meter at a radius r approximately 2 x 10(exp 16) centimeter, but the column density inferred from the photoabsorption of X-rays along the line of sight suggests a significantly lower density. The implication may be an asymmetry in the interaction. The X-ray spectrum shows Fe line emission at 6.9 keV that is stronger than is expected for the conditions in the X-ray emitting gas. We suggest that cool gas mixed into the hot gas plays a role in the line emission. Our radio and X-ray data both suggest the density profile is flatter than r2 because of the slow evolution of the unabsorbed emission.

  6. The evolution of antimicrobial peptide resistance in Pseudomonas aeruginosa is shaped by strong epistatic interactions

    DEFF Research Database (Denmark)

    Jochumsen, Nicholas; Marvig, Rasmus Lykke; Pedersen, Søren Damkiær

    2016-01-01

    Colistin is an antimicrobial peptide that has become the only remaining alternative for the treatment of multidrug-resistant Gram-negative bacterial infections, but little is known of how clinical levels of colistin resistance evolve. We use in vitro experimental evolution and whole-genome sequen......Colistin is an antimicrobial peptide that has become the only remaining alternative for the treatment of multidrug-resistant Gram-negative bacterial infections, but little is known of how clinical levels of colistin resistance evolve. We use in vitro experimental evolution and whole......-genome sequencing of colistin-resistant Pseudomonas aeruginosa isolates from cystic fibrosis patients to reconstruct the molecular evolutionary pathways open for high-level colistin resistance. We show that the evolution of resistance is a complex, multistep process that requires mutation in at least five...... independent loci that synergistically create the phenotype. Strong intergenic epistasis limits the number of possible evolutionary pathways to resistance. Mutations in transcriptional regulators are essential for resistance evolution and function as nodes that potentiate further evolution towards higher...

  7. Voltage-Controlled Switching of Strong Light-Matter Interactions using Liquid Crystals.

    Science.gov (United States)

    Hertzog, Manuel; Rudquist, Per; Hutchison, James A; George, Jino; Ebbesen, Thomas W; Börjesson, Karl

    2017-12-22

    We experimentally demonstrate a fine control over the coupling strength of vibrational light-matter hybrid states by controlling the orientation of a nematic liquid crystal. Through an external voltage, the liquid crystal is seamlessly switched between two orthogonal directions. Using these features, for the first time, we demonstrate electrical switching and increased Rabi splitting through transition dipole moment alignment. The C-N str vibration on the liquid crystal molecule is coupled to a cavity mode, and FT-IR is used to probe the formed vibropolaritonic states. A switching ratio of the Rabi splitting of 1.78 is demonstrated between the parallel and the perpendicular orientation. Furthermore, the orientational order increases the Rabi splitting by 41 % as compared to an isotropic liquid. Finally, by examining the influence of molecular alignment on the Rabi splitting, the scalar product used in theoretical modeling between light and matter in the strong coupling regime is verified. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Inelastic strong interactions at high energies. Annual progress report, June 1, 1979-May 1, 1980

    International Nuclear Information System (INIS)

    Suranyi, P.

    1980-02-01

    Investigations in the area of Grand Unified Field Theories were begun. Various ways of breaking the SU(5) symmetric theory of Georgi and Glashow were studied. As usual, an approx. 24 of Higgs breaks the symmetry from SU(5) to SU(3)/sub c/xSU(2)xU(1). It was found that an approx. 45 of Higgs is acceptable for breaking the symmetry from SU(3)/sub c/xSU(2)xU(1) to SU(3)/sub c/xU(1)/sub em/. In addition phenomenologically correct quark-lepton mass ratios are obtained by use of renormalization-group techniques if there are 6 generations of particles in the theory. Efforts directed at the development of approximate methods for extracting information from quantum field theories were continued. The quantum mechanics of polynomial potentials as a model for quantum field theories was investigated. A perturbation expansion for the energy levels and wave functions was constructed and has been proven to be convergent for arbitrary values of the coupling constants, in contrast to ordinary perturbation expansions that have a zero radius of convergence. The physical significance of the new perturbation expansions was explored both in the weak and strong coupling limits

  9. Strong-coupling superconductivity in the two-dimensional t-J model supplemented by a hole-phonon interaction

    International Nuclear Information System (INIS)

    Sherman, A.; Schreiber, M.

    1995-01-01

    We use the Eliashberg formalism for calculating T c in a model of cuprate perovskites with pairing mediated by both magnons and apex-oxygen vibrations. The influence of strong correlations on the energy spectrum is taken into account in the spin-wave approximation. It is shown that the hole-magnon interaction alone cannot yield high T c . But together with a moderate hole-phonon interaction it does lead to d-wave superconductivity at temperatures and hole concentrations observed in cuprates. High T c are connected with a large density of states due to extended Van Hove singularities, a conformity of the two interactions for the d symmetry, and high phonon frequencies

  10. Flutter-by Interactive Butterfly Using interactivity to excite and educate children about butterflies and the National Museum of Play at The Strong's Dancing Wings Butterfly Garden

    Science.gov (United States)

    Powers, Lydia

    The National Museum of Play at The Strong's Dancing Wings Butterfly Garden is a tropical rainforest that allows visitors to step into the world of butterflies, but lacks a more comprehensive educational element to teach visitors additional information about butterflies. Flutter-by Interactive Butterfly is a thesis project designed to enhance younger visitors' experience of the Dancing Wings Butterfly Garden with an interactive educational application that aligns with The Strong's mission of encouraging learning, creativity, and discovery. This was accomplished through a series of fun and educational games and animations, designed for use as a kiosk outside the garden and as a part of The Strong's website. Content, planning, and organization of this project has been completed through research and observation of the garden in the following areas: its visitors, butterflies, best usability practices for children, and game elements that educate and engage children. Flutter-by Interactive Butterfly teaches users about the butterfly's life cycle, anatomy, and characteristics as well as their life in the Dancing Wings Butterfly Garden. Through the use of the design programs Adobe Illustrator, Flash, and After Effects; the programming language ActionScript3.0; a child-friendly user interface and design; audio elements and user takeaways, Flutter-by Interactive Butterfly appeals to children of all ages, interests, and learning styles. The project can be viewed at lydiapowers.com/Thesis/FlutterByButterfly.html

  11. Some issues linked to the description of systems in strong interaction

    International Nuclear Information System (INIS)

    Theussl, L.

    2001-06-01

    In the first part of this work we have dealt with some issues that are relevant in the area of nucleonic resonances within different constituent quark models. In this context we have concentrated on the theoretical description of Pi and Nu decays for N and Delta resonances. The results obtained point to the necessity of a more microscopic description of the dynamics which is at the same time responsible for the binding of quarks inside baryons and the decay of the latter ones. In the second part we have contributed to the study of crossed two-boson exchanges in the Bethe-Salpeter equation as well as to the investigation of different three-dimensional approaches that follow from the Bethe-Salpeter equation in a certain non-relativistic reduction scheme. These one include in particular an equation whose interaction depends on the total energy of the system. It was shown that such an equation is able to account for a certain number of properties of Bethe-Salpeter equation, in particular, that there also arise abnormal solutions in such an approach. (author)

  12. Intermolecular configurations dominated by quadrupole-quadrupole electrostatic interactions: explicit correlation treatment of the five-dimensional potential energy surface and infrared spectra for the CO-N2 complex.

    Science.gov (United States)

    Liu, Jing-Min; Zhai, Yu; Zhang, Xiao-Long; Li, Hui

    2018-01-17

    A thorough understanding of the intermolecular configurations of van der Waals complexes is a great challenge due to their weak interactions, floppiness and anharmonic nature. Although high-resolution microwave or infrared spectroscopy provides one of the most direct and precise pieces of experimental evidence, the origin and key role in determining such intermolecular configurations of a van der Waals system strongly depend on its highly accurate potential energy surface (PES) and a detailed analysis of its ro-vibrational wavefunctions. Here, a new five-dimensional potential energy surface for the van der Waals complex of CO-N 2 which explicitly incorporates the dependence on the stretch coordinate of the CO monomer is generated using the explicitly correlated couple cluster (CCSD(T)-F12) method in conjunction with a large basis set. Analytic four-dimensional PESs are obtained by the least-squares fitting of vibrationally averaged interaction energies for v = 0 and v = 1 to the Morse/Long-Range potential mode (V MLR ). These fits to 7966 points have root-mean-square deviations (RMSD) of 0.131 cm -1 and 0.129 cm -1 for v = 0 and v = 1, respectively, with only 315 parameters. Energy decomposition analysis is carried out, and it reveals that the dominant factor in controlling intermolecular configurations is quadrupole-quadrupole electrostatic interactions. Moreover, the rovibrational levels and wave functions are obtained for the first time. The predicted infrared transitions and intensities for the ortho-N 2 -CO complex as well as the calculated energy levels for para-N 2 -CO are in good agreement with the available experimental data with RMSD discrepancies smaller than 0.068 cm -1 . The calculated infrared band origin shift associated with the fundamental band frequency of CO is -0.721 cm -1 for ortho-N 2 -CO which is in excellent agreement with the experimental value of -0.739 cm -1 . The agreement with experimental values validates the high quality of the PESs

  13. Collisionless electrostatic shocks

    DEFF Research Database (Denmark)

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

    1970-01-01

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

  14. Electrostatic septum, SPS

    CERN Multimedia

    CERN PhotoLab

    1978-01-01

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

  15. Edutainment Science: Electrostatics

    Science.gov (United States)

    Ahlers, Carl

    2009-01-01

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

  16. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    This article presents the fundamental concepts of electrostatics as applied to atoms and molecules. The electric field and potential due to a set of discrete as well as continuous charge distributions are discussed along with their graphic visualization. Funda- mental theorems in electrostatics are also summarized. Introduction.

  17. Strong Hydrogen Bonded Molecular Interactions between Atmospheric Diamines and Sulfuric Acid.

    Science.gov (United States)

    Elm, Jonas; Jen, Coty N; Kurtén, Theo; Vehkamäki, Hanna

    2016-05-26

    We investigate the molecular interaction between methyl-substituted N,N,N',N'-ethylenediamines, propane-1,3-diamine, butane-1,4-diamine, and sulfuric acid using computational methods. Molecular structure of the diamines and their dimer clusters with sulfuric acid is studied using three density functional theory methods (PW91, M06-2X, and ωB97X-D) with the 6-31++G(d,p) basis set. A high level explicitly correlated CCSD(T)-F12a/VDZ-F12 method is used to obtain accurate binding energies. The reaction Gibbs free energies are evaluated and compared with values for reactions involving ammonia and atmospherically relevant monoamines (methylamine, dimethylamine, and trimethylamine). We find that the complex formation between sulfuric acid and the studied diamines provides similar or more favorable reaction free energies than dimethylamine. Diamines that contain one or more secondary amino groups are found to stabilize sulfuric acid complexes more efficiently. Elongating the carbon backbone from ethylenediamine to propane-1,3-diamine or butane-1,4-diamine further stabilizes the complex formation with sulfuric acid by up to 4.3 kcal/mol. Dimethyl-substituted butane-1,4-diamine yields a staggering formation free energy of -19.1 kcal/mol for the clustering with sulfuric acid, indicating that such diamines could potentially be a key species in the initial step in the formation of new particles. For studying larger clusters consisting of a diamine molecule with up to four sulfuric acid molecules, we benchmark and utilize a domain local pair natural orbital coupled cluster (DLPNO-CCSD(T)) method. We find that a single diamine is capable of efficiently stabilizing sulfuric acid clusters with up to four acid molecules, whereas monoamines such as dimethylamine are capable of stabilizing at most 2-3 sulfuric acid molecules.

  18. Quantitative nanoscale electrostatics of viruses.

    Science.gov (United States)

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

    2015-11-07

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

  19. Perturbative Analysis of the Influence of Strong Interaction on the Relations between A$_{2\\pi}$ Creation Probabilities in ns-States

    CERN Document Server

    Voskresenskaya, O O

    2002-01-01

    It is shown that the relations between probabilities of A_{2\\pi}-atoms creation in ns-states, derived with neglecting of strong interaction between pions, hold practically unchanged if the strong interaction is taken into account in the first order of perturbation theory. The formulation of Deser equation for the energy levels shift of the hadronic atoms (HA) is given in terms of effective range of strong interaction and relative correction to the coulombic wave function of HA at origin, caused by strong interaction.

  20. Cirhin up-regulates a canonical NF-{kappa}B element through strong interaction with Cirip/HIVEP1

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Bin; Mitchell, Grant A. [Genetique Medicale, Centre de Recherche CHU Sainte-Justine, Departement de Pediatrie, Universite de Montreal, Montreal, QC (Canada); Richter, Andrea, E-mail: andrea.richter@umontreal.ca [Genetique Medicale, Centre de Recherche CHU Sainte-Justine, Departement de Pediatrie, Universite de Montreal, Montreal, QC (Canada)

    2009-11-01

    North American Indian childhood cirrhosis (NAIC/CIRH1A) is a severe autosomal recessive intrahepatic cholestasis. All NAIC patients have a homozygous mutation in CIRH1A that changes conserved Arg565 to Trp (R565W) in Cirhin, a nucleolar protein of unknown function. Subcellular localization is unaffected by the mutation. Yeast two-hybrid screening identified Cirip (Cirhin interaction protein) and found that interaction between Cirip and R565W-Cirhin was weakened. Co-immunoprecipitation of the two proteins from nuclear extracts of HeLa cells strongly supports the yeast two hybrid results. Cirip has essentially the same sequence as the C-terminal of HIVEP1, a regulator of a canonical NF-{kappa}B sequence. Since Cirip has the zinc fingers required for this interaction, we developed an in vitro assay based on this element in mammalian cells to demonstrate functional Cirhin-Cirip interaction. The strong positive effect of Cirip on the NF-{kappa}B sequence was further increased by both Cirhin and R565W-Cirhin. Importantly, the effect of R565W-Cirhin was weaker than that of the wild type protein. We observed increased levels of Cirhin-Cirip complex in nuclear extracts in the presence of this NF-{kappa}B sequence. Our hypothesis is that Cirhin is a transcriptional regulatory factor of this NF-{kappa}B sequence and could be a participant in the regulation of other genes with NF-{kappa}B responsive elements. Since the activities of genes regulated through NF-{kappa}B responsive elements are especially important during development, this interaction may be a key to explain the perinatal appearance of NAIC.

  1. Roles of the quadrupole interaction and of the quadratic stark effect in spectral lines from plasmas interacting with a strong quasimonochromatic electric field

    Czech Academy of Sciences Publication Activity Database

    Sauvan, P.; Dalimier, E.; Riconda, C.; Oks, E.; Renner, Oldřich; Weber, S.

    2010-01-01

    Roč. 1, č. 2 (2010), s. 123-128 ISSN 2229-3159 R&D Projects: GA MŠk(CZ) LC528 Institutional research plan: CEZ:AV0Z10100523 Keywords : laser-plasma interaction * PIC plasma model ing * strong quasimonochromatic electric fields * x-ray line broadening * stark effect * floquet theory Subject RIV: BH - Optics, Masers, Lasers http://www.auburn.edu/academic/cosam/departments/physics/iramp/1_2/sauvan_et_al.pdf

  2. Osteoclast formation is strongly reduced both in vivo and in vitro in the absence of CD47/SIRPα-interaction

    International Nuclear Information System (INIS)

    Lundberg, Pernilla; Koskinen, Cecilia; Baldock, Paul A.; Loethgren, Hanna; Stenberg, Asa; Lerner, Ulf H.; Oldenborg, Per-Arne

    2007-01-01

    Physical interaction between the cell surface receptors CD47 and signal regulatory protein alpha (SIRPα) was reported to regulate cell migration, phagocytosis, cytokine production, and macrophage fusion. However, it is unclear if the CD47/SIRPα-interaction can also regulate macrophage colony-stimulating factor (M-CSF) and receptor activator of nuclear factor (NF)-κB ligand (RANKL)-stimulated formation of osteoclasts. Here, we show that functional blocking antibodies to either CD47 or SIRPα strongly reduced formation of multinucleated tartrate-resistant acid phosphatase (TRAP) + osteoclasts in cultures of murine hematopoietic cells, stimulated in vitro by M-CSF and RANKL. In addition, the numbers of osteoclasts formed in M-CSF/RANKL-stimulated bone marrow macrophage cultures from CD47 -/- mice were strongly reduced, and bones of CD47 -/- mice exhibited significantly reduced osteoclast numbers, as compared with wild-type controls. We conclude that the CD47/SIRPα interaction is important for M-CSF/RANKL-stimulated osteoclast formation both in vivo and in vitro, and that absence of CD47 results in decreased numbers of osteoclasts in CD47 -/- mice

  3. Electrostatic Detumble of Space Objects

    Data.gov (United States)

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

  4. Probing Sub-GeV Mass Strongly Interacting Dark Matter with a Low-Threshold Surface Experiment.

    Science.gov (United States)

    Davis, Jonathan H

    2017-11-24

    Using data from the ν-cleus detector, based on the surface of Earth, we place constraints on dark matter in the form of strongly interacting massive particles (SIMPs) which interact with nucleons via nuclear-scale cross sections. For large SIMP-nucleon cross sections, the sensitivity of traditional direct dark matter searches using underground experiments is limited by the energy loss experienced by SIMPs, due to scattering with the rock overburden and experimental shielding on their way to the detector apparatus. Hence, a surface-based experiment is ideal for a SIMP search, despite the much larger background resulting from the lack of shielding. We show using data from a recent surface run of a low-threshold cryogenic detector that values of the SIMP-nucleon cross section up to approximately 10^{-27}  cm^{2} can be excluded for SIMPs with masses above 100 MeV.

  5. Modulating weak interactions for molecular recognition: a dynamic combinatorial analysis for assessing the contribution of electrostatics to the stability of CH-π bonds in water.

    Science.gov (United States)

    Jiménez-Moreno, Ester; Gómez, Ana M; Bastida, Agatha; Corzana, Francisco; Jiménez-Oses, Gonzalo; Jiménez-Barbero, Jesús; Asensio, Juan Luis

    2015-03-27

    Electrostatic and charge-transfer contributions to CH-π complexes can be modulated by attaching electron-withdrawing substituents to the carbon atom. While clearly stabilizing in the gas phase, the outcome of this chemical modification in water is more difficult to predict. Herein we provide a definitive and quantitative answer to this question employing a simple strategy based on dynamic combinatorial chemistry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Strong interactions - quark models

    International Nuclear Information System (INIS)

    Goto, M.; Ferreira, P.L.

    1979-01-01

    The variational method is used for the PSI and upsilon family spectra reproduction from the quark model, through several phenomenological potentials, viz.: linear, linear plus coulomb term and logarithmic. (L.C.) [pt

  7. Strong quadrupole interaction in electron paramagnetic resonance. Study of the indium hexacyanide (III) in KCl irradiated with electrons

    International Nuclear Information System (INIS)

    Vugman, N.V.

    1973-08-01

    The radiation effects in ]Ir III (CN) 6 ] 3- diamagnetic complexe inserted in the KCl lattice and irradiated with electrons of 2MeV by electron spin resonance (ESR) are analysed. Formulas for g and A tensors in the ligand field approximation, are derivated to calculate non coupling electron density in the metal. The X polarization field of inner shells is positive, indicating a 6s function mixture in the non coupling electron molecular orbital. The observed hyperfine structure is assigned to 4 equivalent nitrogen and one non equivalent nitrogen. This hypothesis is verified by experience of isotope substitution with 15 N. The s and p spin density in ligands are calculated and discussed in terms of molecular obitals. The effects of strong quadrupole interaction into the EPR spectra of ]Ir II (CN) 5 ] 3- complex are analysed by MAGNSPEC computer program to diagonalize the Spin Hamiltonian of the system. Empiric rules for EPR espectrum interpretation with strong quadrupole interaction. A review of EPR technique and a review of main concepts of crystal-field and ligand field theories, are also presented. (M.C.K.) [pt

  8. Electrostatic pickup station

    CERN Multimedia

    CERN PhotoLab

    1982-01-01

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

  9. Electrostatic Levitator Electrode Layout

    Science.gov (United States)

    1998-01-01

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

  10. Electrostatic Levitator Layout

    Science.gov (United States)

    1998-01-01

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

  11. Driving electrostatic transducers

    DEFF Research Database (Denmark)

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

    2013-01-01

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

  12. Electrostatic Levitator Layout

    Science.gov (United States)

    1998-01-01

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

  13. GroPBS: Fast Solver for Implicit Electrostatics of Biomolecules

    Directory of Open Access Journals (Sweden)

    Franziska eBertelshofer

    2015-11-01

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

  14. Magnetosheath electrostatic turbulence

    International Nuclear Information System (INIS)

    Rodriguez, P.

    1979-01-01

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

  15. In vitro adsorption revealing an apparent strong interaction between endophyte Pantoea agglomerans YS19 and host rice.

    Science.gov (United States)

    Miao, Yuxuan; Zhou, Jia; Chen, Cuicui; Shen, Delong; Song, Wei; Feng, Yongjun

    2008-12-01

    Pantoea (formerly Enterobacter) agglomerans YS19 is a dominant diazotrophic endophyte isolated from rice (Oryza sativa cv. Yuefu) grown in a temperate-climate region in west Beijing, China. In vitro adsorption and invasion of YS19 on host plant root were studied in this research. Adsorption of YS19 on rice seedling roots closely resembled the Langmuir adsorption and showed a higher adsorption quantity than the control strains Paenibacillus polymyxa WY110 (a rhizospheric bacterium from the same rice cultivar) and Escherichia coli HB101 (a general model bacterium). Adsorption dynamics study revealed high rates and a long duration of the YS19-rice root adsorption process. Adsorption of YS19 was mainly observed on the root hair, though which it enters the plant. This in vitro adsorption study revealed an apparent strong interaction between YS19 and rice at the early endophyte-host recognition stage.

  16. Measurement of the strong-interaction shift and broadening of the ground state of the panti p atom

    International Nuclear Information System (INIS)

    Ziegler, M.; Duch, K.D.; Heel, M.; Kalinowsky, H.; Kayser, F.; Klempt, E.; Rieger, R.; Schreiber, O.; Straumann, U.; Weidenauer, P.; Ahmad, S.; Comyn, M.; Armenteros, R.; Bailey, D.; Barlag, S.; Gastaldi, U.; Landua, R.; Auld, E.G.; Axen, D.A.; Erdman, K.L.; Howard, B.; Howard, R.; White, B.L.; Beer, G.A.; Marshall, G.M.; Robertson, L.P.; Bizot, J.C.; Delcourt, B.; Jeanjean, J.; Nguyen, H.; Dahme, W.; Feld-Dahme, F.; Schaefer, U.; Wodrich, W.R.; Prevot, N.; Sabev, C.

    1988-01-01

    The K α X-rays from panti p atoms formed in H 2 gas at normal temperature and pressure are unambiguously identified by coincidences with L X-rays populating the 2P level. Background due to inner bremsstrahlung is suppressed by selecting events annihilating into neutral final states only. The K α line is observed with a significance of more than 25 standard deviations at an energy of 8.67(15) keV. From fits to the K α line we obtain a strong-interaction shift and width of the 1S level, averaged over the unresolved spin singlet and triplet contributions, of ΔE + iΓ/2 = [-0.70(15) + i0.80(2)] keV. (orig.)

  17. Large electrostatic accelerators

    International Nuclear Information System (INIS)

    Jones, C.M.

    1984-01-01

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

  18. Electrostatic Origin of the Red Solvatochromic Shift of DFHBDI in RNA Spinach.

    Science.gov (United States)

    Bose, Samik; Chakrabarty, Suman; Ghosh, Debashree

    2017-05-11

    Interactions with the environment tune the spectral properties of biological chromophores, e.g., fluorescent proteins. Understanding the relative contribution of the various types of noncovalent interactions in the spectral shifts can provide rational design principles toward developing new fluorescent probes. In this work, we investigate the origin of the red shift in the absorption spectra of the difluoro hydroxybenzylidene dimethyl imidazolinone (DFHBDI) chromophore in RNA spinach as compared to the aqueous solution. We systematically decompose the effects of various components of interactions, namely, stacking, hydrogen bonding, and long-range electrostatics, in order to elucidate the relative role of these interactions in the observed spectral behavior. We find that the absorption peak of DFHBDI is red-shifted by ∼0.35 eV in RNA relative to the aqueous solution. Earlier proposals from Huang and co-workers have implicated the stacking interactions between DFHBDI and nucleic acid bases to be the driving force behind the observed red shift. In contrast, our findings reveal that the long-range electrostatic interactions between DFHBDI and negatively charged RNA make the most significant contribution. Moreover, we notice that the opposing electrostatic fields due to the RNA backbone and the polarized water molecules around the RNA give rise to the resultant red shift. Our results emphasize the effect of strong heterogeneity in the various environmental factors that might be competing with each other.

  19. Dynamical models of hadrons based on string model and behaviour of strongly interacting matter at high density

    International Nuclear Information System (INIS)

    Senda Ikuo.

    1991-05-01

    We propose dynamical models of hadrons, the nucleation model and the free-decay model, in which results of string model are used to represent interactions. The dynamical properties of hadrons, which are obtained by string model, are examined and their parameters are fitted by experimental data. The equilibrium properties of hadrons at high density are investigated by the nucleation model and we found a singular behaviour at energy density 3 ∼ 5 GeV/fm 3 , where hadrons coalesce to create highly excited states. We argue that this singular behaviour corresponds to the phase transition to quark-gluon plasma. The possibility to observe the production of high density strongly interacting matter at collider experiments are discussed using the free-decay model, which produces pion distributions as decay products of resonances. We show that our free-decay model recovers features of hadron distributions obtained in hadron collision experiments. Finally the perspectives and extensions are discussed. (author). 34 refs, 19 figs, 2 tabs

  20. Effects of strong interactions between Ti and ceria on the structures of Ti/CeO2.

    Science.gov (United States)

    Yao, Xiao-Dan; Zhu, Kong-Jie; Teng, Bo-Tao; Yu, Cao-Ming; Zhang, Yun-Lei; Liu, Ya; Fan, Maohong; Wen, Xiao-Dong

    2016-11-30

    The effects of strong interactions between Ti and ceria on the structures of Ti/CeO 2 (111) are systematically investigated by density functional theory calculation. To our best knowledge, the adsorption energy of a Ti atom at the hollow site of CeO 2 is the highest value (-7.99 eV) reported in the literature compared with those of Au (-0.88--1.26 eV), Ag (-1.42 eV), Cu (-2.69 eV), Pd (-1.75 eV), Pt (-2.62 eV) and Sn (-3.68 eV). It is very interesting to find that Ti adatoms disperse at the hollow site of CeO 2 (111) to form surface TiO x species, instead of aggregating to form Ti metal clusters for the Ti-CeO 2 interactions that are much stronger than those of Ti-Ti ones. Ti adatoms are completely oxidized to Ti 4+ ions if they are monatomically dispersed on the next near hollow sites of CeO 2 (111) (xTi-NN-hollow); while Ti 3+ ions are observed when they locate at the near hollow sites (xTi-N-hollow). Due to the electronic repulsive effects among Ti 3+ ions, the adsorption energies of xTi-N-hollow are slightly weaker than those of xTi-NN-hollow. Simultaneously, the existence of unstable Ti 3+ ions on xTi-N-hollow also leads to the restructuring of xTi-N-hollow by surface O atoms of ceria transferring to the top of Ti 3+ ions, or oxidation by O 2 adsorption and dissociation. Both processes improve the stability of the xTi/CeO 2 system by Ti 3+ oxidation. Correspondingly, surface TiO 2 -like species form. This work sheds light into the structures of metal/CeO 2 catalysts with strong interactions between the metal and the ceria support.

  1. Desalting of phosphopeptides by tandem polypyrrole-c18 reverse phase micropipette tip (TMTip{sub PPY-C18}) based on hybrid electrostatic, {Pi}-{Pi} stacking and hydrophobic interactions for mass spectrometric analysis

    Energy Technology Data Exchange (ETDEWEB)

    Zheng Shi; Wang Xiaoli; Fu Jieying; Hu Xuejiao; Xiao Xiao; Huang Lulu; Zhou Youe [Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan, Hubei 430079 (China); Zhong Hongying, E-mail: hyzhong@mail.ccnu.edu.cn [Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan, Hubei 430079 (China)

    2012-04-29

    Highlights: Black-Right-Pointing-Pointer A new micropipette tip TMTip{sub PPY-C18} was developed for desalting of phosphopeptides. Black-Right-Pointing-Pointer TMTip{sub PPY-C18} is based on polypyrrole in tandem with C18 chromatographic material. Black-Right-Pointing-Pointer TMTip{sub PPY-C18} combines electrostatic, {Pi}-{Pi} stacking and hydrophobic interactions. Black-Right-Pointing-Pointer TMTip{sub PPY-C18} can be used in both acidic and basic experimental conditions. - Abstract: Desalting and concentration of peptides using reverse phase (RP) C18 chromatographic material based on hydrophobic interaction is a routine approach used in mass spectrometry (MS)-based proteomics. However, MS detection of small hydrophilic peptides, in particular, phosphopeptides that bear multiple negative charges, is challenging due to the insufficient binding to C18 stationary phase. We described here the development of a new desalting method that takes the unique properties of polypyrrole (PPY). The presence of positively charged nitrogen atoms under acidic conditions and polyunsaturated bonds in polypyrrole provide a prospect for enhanced adsorption of phosphopeptides or hydrophilic peptides through extra electrostatic and {Pi}-{Pi} stacking interactions in addition to hydrophobic interactions. In tandem with reversed phase C18 chromatographic material, the new type of desalting method termed as TMTip{sub PPY-C18} can significantly improve the MS detection of phosphopeptides with multiple phosphate groups and other small hydrophilic peptides. It has been applied to not only tryptic digest of model proteins but also the analysis of complex lysates of zebrafish eggs. The number of detected phosphate groups on a peptide ranged from 1 to 6. Particularly, polypyrrole based method can also be used in basic condition. Thus it provides a useful means to handle peptides that may not be detectable in acidic condition. It can be envisioned that the TMTip{sub PPY-C18} should be able to

  2. Exploration of electrostatic interaction in the hydrophobic pocket of lysozyme: Importance of ligand-induced perturbation of the secondary structure on the mode of binding of exogenous ligand and possible consequences.

    Science.gov (United States)

    Panja, Sudipta; Halder, Mintu

    2016-08-01

    Exogenous ligand binding can be adequate to alter the secondary structure of biomolecules besides other external stimuli. In such cases, structural alterations can complicate on the nature of interaction with the exogenous molecules. In order to accommodate the exogenous ligand, the biomolecule has to unfold resulting in a considerable change to its properties. If the bound ligand can be unbound, the biomolecule gets the opportunity to refold back and return to its native state. Keeping this in mind, we have purposely investigated the interaction of tartrazine (TZ), a well abundant azo food colorant, with two homologous lysozymes, namely, human lysozyme (HLZ) and chicken egg white lysozyme (CEWLZ) in physiological pH condition. The binding of TZ with lysozymes has been identified to accompany a ligand-induced secondary structure alteration as indicated by the circular dichroism spectra, and the reduction of α-helical content is more with HLZ than CEWLZ. Interestingly, the binding is identified to occur in the electronic ground state of TZ with lysozyme in its hydrophobic cavity, containing excess of positive charge, predominantly via electrostatic interaction. With increase of salinity of the medium the protein tends to refold back due to wakening of electrostatic forces and consequent reduction of strength of ligand interaction and unbinding. The entropy enthalpy compensation (EEC) has been probed to understand the binding features and it is found that CEWLZ-TZ shows better compensation than HLZ-TZ complex. This is presumably due to the fact that with CEWLZ the binding does not accompany substantial change in the protein secondary structure and hence ineffective to scramble the EEC. The present study initiates the importance of ligand-perturbed structural alteration of biomolecule in controlling the thermodynamics of binding. If there is a considerable alteration of the protein secondary structure due to binding, it is indicative that such changes should bring in

  3. Electrostatic septum, SPS

    CERN Multimedia

    1975-01-01

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

  4. Driving electrostatic transducers

    DEFF Research Database (Denmark)

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

    2013-01-01

    Electrostatic transducers represent a very interesting alternative to the traditional inefficient electrodynamic transducers. In order to establish the full potential of these transducers, power amplifiers which fulfill the strict requirements imposed by such loads (high impedance, frequency...... depended, nonlinear and high bias voltage for linearization) must be developed. This paper analyzes power stages and bias configurations suitable for driving an electrostatic transducer. Measurement results of a 300 V prototype amplifier are shown. Measuring THD across a high impedance source is discussed......, and a high voltage attenuation interface for an audio analyzer is presented. THD below 0:1% is reported....

  5. Collapse of Electrostatic Waves in Magnetoplasmas

    DEFF Research Database (Denmark)

    Shukla, P. K.; Yu, M. Y.; Juul Rasmussen, Jens

    1984-01-01

    The two-fluid model is employed to investigate the collapse of electrostatic waves in magnetized plasmas. It is found that nonlinear interaction of ion cyclotron, upper-, and lower-hybrid waves with adiabatic particle motion along the external magnetic field can cause wave-field collapse....

  6. Evidence for carbon flux shortage and strong carbon/nitrogen interactions in pea nodules at early stages of water stress.

    Science.gov (United States)

    Gálvez, Loli; González, Esther M; Arrese-Igor, Cesar

    2005-09-01

    Symbiotic N2 fixation in legume nodules declines under a wide range of environmental stresses. A high correlation between N2 fixation decline and sucrose synthase (SS; EC 2.4.1.13) activity down-regulation has been reported, although it has still to be elucidated whether a causal relationship between SS activity down-regulation and N2 fixation decline can be established. In order to study the likely C/N interactions within nodules and the effects on N2 fixation, pea plants (Pisum sativum L. cv. Sugar snap) were subjected to progressive water stress by withholding irrigation. Under these conditions, nodule SS activity declined concomitantly with apparent nitrogenase activity. The levels of UDP-glucose, glucose-1-phosphate, glucose-6-phosphate, and fructose-6-phosphate decreased in water-stressed nodules compared with unstressed nodules. Drought also had a marked effect on nodule concentrations of malate, succinate, and alpha-ketoglutarate. Moreover, a general decline in nodule adenylate content was detected. NADP+-dependent isocitrate dehydrogenase (ICDH; EC 1.1.1.42) was the only enzyme whose activity increased as a result of water deficit, compensating for a possible C/N imbalance and/or supplying NADPH in circumstances that the pentose phosphate pathway was impaired, as suggested by the decline in glucose-6-phosphate dehydrogenase (G6PDH; EC 1.1.1.49) activity. The overall results show the occurrence of strong C/N interactions in nodules subjected to water stress and support a likely limitation of carbon flux that might be involved in the decline of N2 fixation under drought.

  7. Histidine in Continuum Electrostatics Protonation State Calculations

    Science.gov (United States)

    Couch, Vernon; Stuchebruckhov, Alexei

    2014-01-01

    A modification to the standard continuum electrostatics approach to calculate protein pKas which allows for the decoupling of histidine tautomers within a two state model is presented. Histidine with four intrinsically coupled protonation states cannot be easily incorporated into a two state formalism because the interaction between the two protonatable sites of the imidazole ring is not purely electrostatic. The presented treatment, based on a single approximation of the interrelation between histidine’s charge states, allows for a natural separation of the two protonatable sites associated with the imidazole ring as well as the inclusion of all protonation states within the calculation. PMID:22072521

  8. Electrostatic shielding of transformers

    Energy Technology Data Exchange (ETDEWEB)

    De Leon, Francisco

    2017-11-28

    Toroidal transformers are currently used only in low-voltage applications. There is no published experience for toroidal transformer design at distribution-level voltages. Toroidal transformers are provided with electrostatic shielding to make possible high voltage applications and withstand the impulse test.

  9. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

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

  10. Electrostatically suspended torsion pendulum

    Science.gov (United States)

    Willemenot, E.; Touboul, P.

    2000-01-01

    A torsion pendulum without a torsion wire has been designed and realized, in order to measure very weak forces. The arm of this torsion pendulum (5.40 g, 1.32×10-6 kg m2 of inertia) is electrostatically suspended. Its 6 degrees of freedom are controlled thanks to electrostatic forces, and capacitive position sensing with a noise spectral density between 10-10 and 10-13 m/√Hz . The torque noise spectral density is 1.3×10-14 Nm/√Hz around 0.05 Hz with a 1/√f increase at lower frequency, corresponding to 10-8 rad/s2/√Hz , and 2×10-10 ms-2/√Hz with a lever arm of 2 cm. The residual seismic noise limit the performances above 0.1 Hz. The free oscillating mode has a torsion stiffness of 5.14×10-8 Nm/rad and a Q of 217. This new instrument allows on ground experiments on very weak parasitic forces inside space accelerometers developed in ONERA, with a good representativeness. For example, it is possible to measure electrostatic stiffnesses with high resolution thanks to the low torque noise spectral density; the electrostatic damping phenomenon is also well seen as illustrated by the rather low Q. The instrument design and operation are described, the main performances are given, and the possibilities offered are discussed.

  11. Electrostatic pickup station

    CERN Multimedia

    CERN PhotoLab

    1979-01-01

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

  12. Electrostatic septum, SPS

    CERN Multimedia

    CERN PhotoLab

    1975-01-01

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

  13. Versatile electrostatic trap

    NARCIS (Netherlands)

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

    2006-01-01

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

  14. An asymmetry in electrostatics

    Science.gov (United States)

    Ganci, Salvatore

    2013-11-01

    This paper outlines a misuse of the electrostatic induction concept. A non-symmetrical behaviour was observed in a charge by the induction of an insulated hollow metallic conductor (the Faraday ice pail experiment). The major consequence of this experiment is a quick demonstration that the Earth must have a net negative charge.

  15. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    lar chemistry can be understood on the basis of simple electro- static concepts. The basic rules of the 'electrostatic game' were presented in Part 11. .... the molecules from running into each other, a strategy similar to the one in the B-F model above is employed. The docking process in the search for the minimum energy ...

  16. Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems.

    Science.gov (United States)

    Tsuchimochi, Takashi

    2015-10-14

    Spin-flip approaches capture static correlation with the same computational scaling as the ordinary single reference methods. Here, we extend spin-flip configuration interaction singles (SFCIS) by projecting out intrinsic spin-contamination to make it spin-complete, rather than by explicitly complementing it with spin-coupled configurations. We give a general formalism of spin-projection for SFCIS, applicable to any spin states. The proposed method is viewed as a natural unification of SFCIS and spin-projected CIS to achieve a better qualitative accuracy at a low computational cost. While our wave function ansatz is more compact than previously proposed spin-complete SF approaches, it successfully offers more general static correlation beyond biradicals without sacrificing good quantum numbers. It is also shown that our method is invariant with respect to open-shell orbital rotations, due to the uniqueness of spin-projection. We will report benchmark calculations to demonstrate its qualitative performance on strongly correlated systems, including conical intersections that appear both in ground-excited and excited-excited degeneracies.

  17. Proceedings of RIKEN BNL Research Center Workshop: The Approach to Equilibrium in Strongly Interacting Matter. Volume 118

    Energy Technology Data Exchange (ETDEWEB)

    Liao, J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Venugopalan, R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Berges, J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Blaizot, J. -P. [Brookhaven National Lab. (BNL), Upton, NY (United States); Gelis, F. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-04-09

    The RIKEN BNL Research Center (RBRC) was established in April 1997 at Brookhaven National Laboratory*. It is funded by the ''Rikagaku Kenkyusho'' (RIKEN, The Institute of Physical and Chemical Research) of Japan and the U. S. Department of Energy’s Office of Science. The RBRC is dedicated to the study of strong interactions, including spin physics, lattice QCD, and RHIC physics through the nurturing of a new generation of young physicists. The RBRC has theory, lattice gauge computing and experimental components. It is presently exploring the possibility of an astrophysics component being added to the program. The purpose of this Workshop is to critically review the recent progress on the theory and phenomenology of early time dynamics in relativistic heavy ion collisions from RHIC to LHC energies, to examine the various approaches on thermalization and existing issues, and to formulate new research efforts for the future. Topics slated to be covered include Experimental evidence for equilibration/isotropization, comparison of various approaches, dependence on the initial conditions and couplings, and turbulent cascades and Bose-Einstein condensation.

  18. Measurement of the strong interaction coupling constant αs by jet study in the H1 experiment

    International Nuclear Information System (INIS)

    Squinabol, F.

    1997-01-01

    The H1 experiment allows to study hadronic jets produced in deep inelastic lepton (27.5 GeV) scattering off protons (820 GeV). The coupling constant of the strong interaction α s can be extracted from the measurement of the 2-jets rate in the final state. The use of the JADE algorithm is optimal for events with high energy transfer (100-4,000 GeV 2 ), corresponding to the 1994 and 1995 data. The error on α s (M Z 0 2 ) is dominated by the uncertainty from the hadronic energy measurement and the experimental resolution effects on jets. The theoretical error is dominated by the renormalization scale dependence. The final result is (M Z 0 2 ) 0.118 -0.008 +0.008 . This analysis is extended to smaller momentum transfers (25-100 GeV 2 ) using the factorizable K t algorithm, taking the transferred momentum as energy scale of the particle re-clustering. The result α s (M Z 0 2 ) 0.117 -0.008 +0.009 is compatible with the previous one. The precision of the measurement performed in this thesis is 7%. A precision of 4% could be achieved after progresses in the theoretical framework and/or after a significant increase of the luminosity. (author)

  19. Aacsfi-PSC. Advanced accelerator concepts for strong field interaction simulated with the Plasma-Simulation-Code

    Energy Technology Data Exchange (ETDEWEB)

    Ruhl, Hartmut [Munich Univ. (Germany). Chair for Computational and Plasma Physics

    2016-11-01

    Since the installation of SuperMUC phase 2 the 9216 nodes of phase 1 are more easily available for large scale runs allowing for the thin foil and AWAKE simulations. Besides phase 2 could be used in parallel for high throughput of the ion acceleration simulations. Challenging to our project were the full-volume checkpoints required by PIC that strained the I/O-subsystem of SuperMUC to its limits. New approaches considered for the next generation system, like burst buffers could overcome this bottleneck. Additionally, as the FDTD solver in PIC is strongly bandwidth bound, PSC will benefit profoundly from high-bandwidth memory (HBM) that most likely will be available in future HPC machines. This will be of great advantage as in 2018 phase II of AWAKE should begin, with a longer plasma channel further increasing the need for additional computing resources. Last but not least, it is expected that our methods used in plasma physics (many body interaction with radiation) will be more and more adapted for medical diagnostics and treatments. For this research field we expect centimeter sized volumes with necessary resolutions of tens of micro meters resulting in boxes of >10{sup 12} voxels (100-200 TB) on a regular basis. In consequence the demand for computing time and especially for data storage and data handling capacities will also increase significantly.

  20. Electrostatic effects on hyaluronic acid configuration

    Science.gov (United States)

    Berezney, John; Saleh, Omar

    2015-03-01

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

  1. Electrostatic two-stream instability in Fermi-Dirac plasmas

    Science.gov (United States)

    Akbari-Moghanjoughi, M.; Mohammadnejad, M.; Esfandyari-Kalejahi, A.

    2016-09-01

    In this paper the electrostatic two-stream instability is investigated for a large range of plasma number-density using the quantum hydrodynamic model by incorporating the relativistic degeneracy, electron-exchange, quantum diffraction and strong parallel quantizing magnetic field effects. It is found that the electron diffraction effect significantly alters the instability growth rate in a wide range of plasma number density. Two cases of classical and quantum Landau quantization limits are compared and the parametric instability condition is closely inspected. It is remarked that for a given streaming speed the instability is bounded by an upper plasma number-density limit. It is also shown that for a given stream speed there is a maximal growth rate corresponding to specific plasma number-density and perturbation wavelength. Current study can help in better understanding of electron-beam plasma interactions and energy exchange for a wide area of number densities ranging from solid density, inertial confined plasmas, big planetary cores and compact stars. It may also be useful in understanding of electrostatic beam-plasma interactions and origin of large magnitude sustainable electrical currents in super-intense plasmas with critically high magnetic fields such as, pulsars, white dwarf interiors and neutron star crusts.

  2. Electrostatic interactions for directed assembly of high performance nanostructured energetic materials of Al/Fe{sub 2}O{sub 3}/multi-walled carbon nanotube (MWCNT)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Tianfu; Ma, Zhuang; Li, Guoping; Wang, Zhen; Zhao, Benbo; Luo, Yunjun, E-mail: yjluo@bit.edu.cn

    2016-05-15

    Electrostatic self-assembly in organic solvent without intensively oxidative or corrosive environments, was adopted to prepare Al/Fe{sub 2}O{sub 3}/MWCNT nanostructured energetic materials as an energy generating material. The negatively charged MWCNT was used as a glue-like agent to direct the self-assembly of the well dispersed positively charged Al (fuel) and Fe{sub 2}O{sub 3} (oxide) nanoparticles. This spontaneous assembly method without any surfactant chemistry or other chemical and biological moieties decreased the aggregation of the same nanoparticles largely, moreover, the poor interfacial contact between the Al (fuel) and Fe{sub 2}O{sub 3} (oxide) nanoparticles was improved significantly, which was the key characteristic of high performance nanostructured energetic materials. In addition, the assembly process was confirmed as Diffusion-Limited Aggregation. The assembled Al/Fe{sub 2}O{sub 3}/MWCNT nanostructured energetic materials showed excellent performance with heat release of 2400 J/g, peak pressure of 0.42 MPa and pressurization rate of 105.71 MPa/s, superior to that in the control group Al/Fe{sub 2}O{sub 3} nanostructured energetic materials prepared by sonication with heat release of 1326 J/g, peak pressure of 0.19 MPa and pressurization rate of 33.33 MPa/s. Therefore, the approach, which is facile, opens a promising route to the high performance nanostructured energetic materials. - Graphical abstract: The negatively charged MWCNT was used as a glue-like agent to direct the self-assembly of the well dispersed positively charged Al (fuel) and Fe{sub 2}O{sub 3} (oxide) nanoparticles. - Highlights: • A facile spontaneous electrostatic assembly strategy without surfactant was adopted. • The fuels and oxidizers assembled into densely packed nanostructured composites. • The assembled nanostructured energetic materials have excellent performance. • This high performance energetic material can be scaled up for practical application. • This

  3. IAE pulsed electrostatic accelerator

    International Nuclear Information System (INIS)

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

    1976-01-01

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

  4. Electrostatic curtain studies

    International Nuclear Information System (INIS)

    Meyer, L.C.

    1992-05-01

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

  5. Electrostatic septum, SPS

    CERN Multimedia

    1975-01-01

    To minimize losses during slow extraction towards N- and W-Area, electrostatic septa in long straight section 2 and 6 precede the magnetic septa. The 2 electrode plates, visible at the entrance to the septum, establish a vertical electrical field to remove the ions created by the circulating beam in the residual gas. See 7801286 for such a septum in its tank, and 7501201 for a detailed view of the wire suspension. See also 7501120X.

  6. Novel miniature electrostatic generator

    Science.gov (United States)

    Bakhoum, Ezzat G.

    2008-01-01

    A new and unusual design for an electrostatic high voltage generator is introduced. The prototype device built by the author can generate a voltage up to approximately 180kV; yet, its physical size is only a fraction of the size of a comparable Van de Graaff generator. In recent years there has been increasing demand for high voltage generators that are also very compact and lightweight. The new design introduced here fulfills that requirement.

  7. Desalting of phosphopeptides by tandem polypyrrole-c18 reverse phase micropipette tip (TMTip(PPY-C18)) based on hybrid electrostatic, Π-Π stacking and hydrophobic interactions for mass spectrometric analysis.

    Science.gov (United States)

    Zheng, Shi; Wang, Xiaoli; Fu, Jieying; Hu, Xuejiao; Xiao, Xiao; Huang, Lulu; Zhou, Youe; Zhong, Hongying

    2012-04-29

    Desalting and concentration of peptides using reverse phase (RP) C18 chromatographic material based on hydrophobic interaction is a routine approach used in mass spectrometry (MS)-based proteomics. However, MS detection of small hydrophilic peptides, in particular, phosphopeptides that bear multiple negative charges, is challenging due to the insufficient binding to C18 stationary phase. We described here the development of a new desalting method that takes the unique properties of polypyrrole (PPY). The presence of positively charged nitrogen atoms under acidic conditions and polyunsaturated bonds in polypyrrole provide a prospect for enhanced adsorption of phosphopeptides or hydrophilic peptides through extra electrostatic and Π-Π stacking interactions in addition to hydrophobic interactions. In tandem with reversed phase C18 chromatographic material, the new type of desalting method termed as TMTip(PPY-C18) can significantly improve the MS detection of phosphopeptides with multiple phosphate groups and other small hydrophilic peptides. It has been applied to not only tryptic digest of model proteins but also the analysis of complex lysates of zebrafish eggs. The number of detected phosphate groups on a peptide ranged from 1 to 6. Particularly, polypyrrole based method can also be used in basic condition. Thus it provides a useful means to handle peptides that may not be detectable in acidic condition. It can be envisioned that the TMTip(PPY-C18) should be able to facilitate the exploration of large scale phosphoproteome. Copyright © 2012 Elsevier B.V. All rights reserved.

  8. Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT

    Science.gov (United States)

    Vuckovic, Stefan; Levy, Mel; Gori-Giorgi, Paola

    2017-12-01

    The augmented potential introduced by Levy and Zahariev [Phys. Rev. Lett. 113, 113002 (2014)] is shifted with respect to the standard exchange-correlation potential of the Kohn-Sham density functional theory by a density-dependent constant that makes the total energy become equal to the sum of the occupied orbital energies. In this work, we analyze several features of this approach, focusing on the limit of infinite coupling strength and studying the shift and the corresponding energy density at different correlation regimes. We present and discuss coordinate scaling properties of the augmented potential, study its connection to the response potential, and use the shift to analyze the classical jellium and uniform gas models. We also study other definitions of the energy densities in relation to the functional construction by local interpolations along the adiabatic connection. Our findings indicate that the energy density that is defined in terms of the electrostatic potential of the exchange-correlation hole is particularly well suited for this purpose.

  9. Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT.

    Science.gov (United States)

    Vuckovic, Stefan; Levy, Mel; Gori-Giorgi, Paola

    2017-12-07

    The augmented potential introduced by Levy and Zahariev [Phys. Rev. Lett. 113, 113002 (2014)] is shifted with respect to the standard exchange-correlation potential of the Kohn-Sham density functional theory by a density-dependent constant that makes the total energy become equal to the sum of the occupied orbital energies. In this work, we analyze several features of this approach, focusing on the limit of infinite coupling strength and studying the shift and the corresponding energy density at different correlation regimes. We present and discuss coordinate scaling properties of the augmented potential, study its connection to the response potential, and use the shift to analyze the classical jellium and uniform gas models. We also study other definitions of the energy densities in relation to the functional construction by local interpolations along the adiabatic connection. Our findings indicate that the energy density that is defined in terms of the electrostatic potential of the exchange-correlation hole is particularly well suited for this purpose.

  10. Orientation of KRb molecules in a switched electrostatic field

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  11. Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations.

    Directory of Open Access Journals (Sweden)

    Stefano Piana

    Full Text Available The use of molecular dynamics simulations to provide atomic-level descriptions of biological processes tends to be computationally demanding, and a number of approximations are thus commonly employed to improve computational efficiency. In the past, the effect of these approximations on macromolecular structure and stability has been evaluated mostly through quantitative studies of small-molecule systems or qualitative observations of short-timescale simulations of biological macromolecules. Here we present a quantitative evaluation of two commonly employed approximations, using a test system that has been the subject of a number of previous protein folding studies--the villin headpiece. In particular, we examined the effect of (i the use of a cutoff-based force-shifting technique rather than an Ewald summation for the treatment of electrostatic interactions, and (ii the length of the cutoff used to determine how many pairwise interactions are included in the calculation of both electrostatic and van der Waals forces. Our results show that the free energy of folding is relatively insensitive to the choice of cutoff beyond 9 Å, and to whether an Ewald method is used to account for long-range electrostatic interactions. In contrast, we find that the structural properties of the unfolded state depend more strongly on the two approximations examined here.

  12. Biomolecular electrostatics and solvation: a computational perspective.

    Science.gov (United States)

    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.

  13. Epitope mapping of imidazolium cations in ionic liquid-protein interactions unveils the balance between hydrophobicity and electrostatics towards protein destabilisation.

    Science.gov (United States)

    Silva, Micael; Figueiredo, Angelo Miguel; Cabrita, Eurico J

    2014-11-14

    We investigated imidazolium-based ionic liquid (IL) interactions with human serum albumin (HSA) to discern the level of cation interactions towards protein stability. STD-NMR spectroscopy was used to observe the imidazolium IL protons involved in direct binding and to identify the interactions responsible for changes in Tm as accessed by differential scanning calorimetry (DSC). Cations influence protein stability less than anions but still significantly. It was found that longer alkyl side chains of imidazolium-based ILs (more hydrophobic) are associated with a higher destabilisation effect on HSA than short-alkyl groups (less hydrophobic). The reason for such destabilisation lies on the increased surface contact area of the cation with the protein, particularly on the hydrophobic contacts promoted by the terminus of the alkyl chain. The relevance of the hydrophobic contacts is clearly demonstrated by the introduction of a polar moiety in the alkyl chain: a methoxy or alcohol group. Such structural modification reduces the degree of hydrophobic contacts with HSA explaining the lesser extent of protein destabilisation when compared to longer alkyl side chain groups: above [C2mim](+). Competition STD-NMR experiments using [C2mim](+), [C4mim](+) and [C2OHmim](+) also validate the importance of the hydrophobic interactions. The combined effect of cation and anion interactions was explored using (35)Cl NMR. Such experiments show that the nature of the cation has no influence on the anion-protein contacts, still the nature of the anion modulates the cation-protein interaction. Herein we propose that more destabilising anions are likely to be a result of a partial contribution from the cation as a direct consequence of the different levels of interaction (cation-anion pair and cation-protein).

  14. Electrostatics Control Actin Filament Nucleation and Elongation Kinetics*

    Science.gov (United States)

    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

  15. Electrostatics control actin filament nucleation and elongation kinetics.

    Science.gov (United States)

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

    2013-04-26

    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.

  16. Magnetic phase transition induced by electrostatic gating in two-dimensional square metal-organic frameworks

    Science.gov (United States)

    Wang, Yun-Peng; Li, Xiang-Guo; Liu, Shuang-Long; Fry, James N.; Cheng, Hai-Ping

    2018-03-01

    We investigate theoretically magnetism and magnetic phase transitions induced by electrostatic gating of two-dimensional square metal-organic framework compounds. We find that electrostatic gating can induce phase transitions between homogeneous ferromagnetic and various spin-textured antiferromagnetic states. Electronic structure and Wannier function analysis can reveal hybridizations between transition-metal d orbitals and conjugated π orbitals in the organic framework. Mn-containing compounds exhibit a strong d -π hybridization that leads to partially occupied spin-minority bands, in contrast to compounds containing transition-metal ions other than Mn, for which electronic structure around the Fermi energy is only slightly spin split due to weak d -π hybridization and the magnetic interaction is of the Ruderman-Kittel-Kasuya-Yosida type. We use a ferromagnetic Kondo lattice model to understand the phase transition in Mn-containing compounds in terms of carrier density and illuminate the complexity and the potential to control two-dimensional magnetization.

  17. Electrostatic quadrupole array for focusing parallel beams of charged particles

    International Nuclear Information System (INIS)

    Brodowski, J.

    1982-01-01

    An array of electrostatic quadrupoles, capable of providing strong electrostatic focusing simultaneously on multiple beams, is easily fabricated from a single array element comprising a support rod and multiple electrodes spaced at intervals along the rod. The rods are secured to four terminals which are isolated by only four insulators. This structure requires bias voltage to be supplied to only two terminals and eliminates the need for individual electrode bias and insulators, as well as increases life by eliminating beam plating of insulators

  18. Electrostatically biased binding of kinesin to microtubules.

    Directory of Open Access Journals (Sweden)

    Barry J Grant

    2011-11-01

    Full Text Available The minimum motor domain of kinesin-1 is a single head. Recent evidence suggests that such minimal motor domains generate force by a biased binding mechanism, in which they preferentially select binding sites on the microtubule that lie ahead in the progress direction of the motor. A specific molecular mechanism for biased binding has, however, so far been lacking. Here we use atomistic Brownian dynamics simulations combined with experimental mutagenesis to show that incoming kinesin heads undergo electrostatically guided diffusion-to-capture by microtubules, and that this produces directionally biased binding. Kinesin-1 heads are initially rotated by the electrostatic field so that their tubulin-binding sites face inwards, and then steered towards a plus-endwards binding site. In tethered kinesin dimers, this bias is amplified. A 3-residue sequence (RAK in kinesin helix alpha-6 is predicted to be important for electrostatic guidance. Real-world mutagenesis of this sequence powerfully influences kinesin-driven microtubule sliding, with one mutant producing a 5-fold acceleration over wild type. We conclude that electrostatic interactions play an important role in the kinesin stepping mechanism, by biasing the diffusional association of kinesin with microtubules.

  19. Electrostatic Dust Control on Planetary Surfaces

    Science.gov (United States)

    Clark, P. E.; Calle, C. I.; Curtis, S. A.; Keller, J. F.; Minetto, F.; Mantovani, J. G.

    2007-01-01

    Successful operation for exploration of planetary regoliths will depend on the capability to keep surfaces free of dust which could compromise performance and to collect dust for characterization. Such study is essential in order to resolve issues in dealing with regolith fines identified during the Apollo missions where dust behaved like abrasive Velcro before returning to the Moon. During Moon landings, locally-induced stirring of the regolith caused dust to be suspended long enough to come into contact with conducting surfaces. Lunar fines, because of their electrostatic charging, were difficult to collect and sparsely sampled: bag seals were broken, samples contaminated and lost. Our objectives here are to describe a multi-faceted electrostatically-based approach and methodology for addressing this issue, as well as to present our preliminary results which confirm the view that the successful strategy will deal with dust dynamics resulting from interaction between mechanical and electrostatic forces. Our device concept combines electron or ion beams, acting as a plasma dust sweeper to control the flow of dust by systematic scanning of the surface with an electrostatically controlled potential. A plate of the opposite potential used to induce dust migration in the presence of an electrical field. Our goal is a compact device of dust for sampling as part of the extended exploration process on extensive areas of exposed impact-generated regolith, on Mercury, Mars, asteroids or outer solar system satellites, as well as the Moon.

  20. Cooperative interactions of unlike macromolecules 2: NMR and theoretical study of electrostatic binding of sodium poly(styrenesulfonate)s to copolymers with variably distributed cationic groups

    Czech Academy of Sciences Publication Activity Database

    Kříž, Jaroslav; Dautzenberg, H.

    2001-01-01

    Roč. 105, č. 15 (2001), s. 3846-3854 ISSN 1089-5639 R&D Projects: GA AV ČR KSK2050602 Institutional research plan: CEZ:AV0Z4050913 Keywords : cooperative interactions * unlike macromolecules * NMR spectroscopy Subject RIV: CC - Organic Chemistry Impact factor: 2.630, year: 2001

  1. Bio-oil hydrodeoxygenation catalysts produced using strong electrostatic adsorption

    Science.gov (United States)

    We synthesized hydrothermally stable metal catalysts with controlled particle size and distribution, with the goal of determining which catalyst(s) can selectively catalyze the production of aromatics from bio-oil (from pyrolysis of biomass). Both precious and base transition metal catalysts (Ru, Pt...

  2. Electrostatic Plasma Accelerator (EPA)

    Science.gov (United States)

    Brophy, John R.; Aston, Graeme

    1995-01-01

    The application of electric propulsion to communications satellites, however, has been limited to the use of hydrazine thrusters with electric heaters for thrust and specific impulse augmentation. These electrothermal thrusters operate at specific impulse levels of approximately 300 s with heater powers of about 500 W. Low power arcjets (1-3 kW) are currently being investigated as a way to increase specific impulse levels to approximately 500 s. Ion propulsion systems can easily produce specific impulses of 3000 s or greater, but have yet to be applied to communications satellites. The reasons most often given for not using ion propulsion systems are their high level of overall complexity, low thrust with long burn times, and the difficulty of integrating the propulsion system into existing commercial spacecraft busses. 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.

  3. 3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions

    KAUST Repository

    Cao, Siqin

    2017-12-22

    The 3D reference interaction site model (3DRISM) is a powerful tool to study the thermodynamic and structural properties of liquids. However, for hydrophobic solutes, the inhomogeneity of the solvent density around them poses a great challenge to the 3DRISM theory. To address this issue, we have previously introduced the hydrophobic-induced density inhomogeneity theory (HI) for purely hydrophobic solutes. To further consider the complex hydrophobic solutes containing partial charges, here we propose the D2MSA closure to incorporate the short-range and long-range interactions with the D2 closure and the mean spherical approximation, respectively. We demonstrate that our new theory can compute the solvent distributions around real hydrophobic solutes in water and complex organic solvents that agree well with the explicit solvent molecular dynamics simulations.

  4. Spontaneous emission spectra and quantum light-matter interactions from a strongly coupled quantum dot metal-nanoparticle system

    DEFF Research Database (Denmark)

    Van Vlack, C.; Kristensen, Philip Trøst; Hughes, S.

    2012-01-01

    the dot to the detector, we demonstrate that the strong-coupling regime should be observable in the far-field spontaneous emission spectrum, even at room temperature. The vacuum-induced emission spectra show that the usual vacuum Rabi doublet becomes a rich spectral triplet or quartet with two of the four...

  5. A Comprehensive Analysis of Jet Quenching via a Hybrid Strong/Weak Coupling Model for Jet-Medium Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Casalderrey-Solana, Jorge [Departament d' Estructura i Constituents de la Matèria and Institut de Ciències del Cosmos (ICCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Gulhan, Doga Can [Laboratory for Nuclear Science and Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Milhano, José Guilherme [CENTRA, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, P-1049-001 Lisboa (Portugal); Physics Department, Theory Unit, CERN, CH-1211 Genève 23 (Switzerland); Pablos, Daniel [Departament d' Estructura i Constituents de la Matèria and Institut de Ciències del Cosmos (ICCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Rajagopal, Krishna [Laboratory for Nuclear Science and Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2016-12-15

    Within a hybrid strong/weak coupling model for jets in strongly coupled plasma, we explore jet modifications in ultra-relativistic heavy ion collisions. Our approach merges the perturbative dynamics of hard jet evolution with the strongly coupled dynamics which dominates the soft exchanges between the fast partons in the jet shower and the strongly coupled plasma itself. We implement this approach in a Monte Carlo, which supplements the DGLAP shower with the energy loss dynamics as dictated by holographic computations, up to a single free parameter that we fit to data. We then augment the model by incorporating the transverse momentum picked up by each parton in the shower as it propagates through the medium, at the expense of adding a second free parameter. We use this model to discuss the influence of the transverse broadening of the partons in a jet on intra-jet observables. In addition, we explore the sensitivity of such observables to the back-reaction of the plasma to the passage of the jet.

  6. Pesticide interactions with soil affected by olive mill wastewater (OMW): how strong and long-lasting is the OMW effect?

    Science.gov (United States)

    Keren, Yonatan; Borisover, Mikhail; Schaumann, Gabriele E.; Diehl, Dörte; Tamimi, Nisreen; Bukhanovsky, Nadezhda

    2017-04-01

    Sorption interactions with soils are well known to control the environmental fate of multiple organic compounds including pesticides. Pesticide-soil interactions may be affected by organic amendments or organic matter (OM)-containing wastewater brought to the field. Specifically, land spreading of olive mill wastewater (OMW), occurring intentionally or not, may also influence pesticide-soil interactions. The effects of the OMW disposed in the field on soil properties, including their ability to interact with pesticides, become of great interest due to the increasing demand for olive oil and a constant growth of world oil production. This paper summarizes some recent findings related to the effect of prior OMW land application on the ability of soils to interact with the organic compounds including pesticides, diuron and simazine. The major findings are as following: (1) bringing OMW to the field increases the potential of soils to sorb non-ionized pesticides; (2) this sorption increase may not be related solely to the increase in soil organic carbon content but it can reflect also the changes in the soil sorption mechanisms; (3) increased pesticide interactions with OMW-affected soils may become irreversible, due, assumedly, to the swelling of some components of the OMW-treated soil; (4) enhanced pesticide-soil interactions mitigate with the time passed after the OMW application, however, in the case of diuron, the remaining effect could be envisioned at least 600 days after the normal OMW application; (5) the enhancement effect of OMW application on soil sorption may increase with soil depth, in the 0-10 cm interval; (6) at higher pesticide (diuron) concentrations, larger extents of sorption enhancement, following the prior OMW-soil interactions, may be expected; (7) disposal of OMW in the field may be seasonal-dependent, and, in the case studied, it led to more distinct impacts on sorption when carried out in spring and winter, as compared with summer. It appears

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

    Science.gov (United States)

    Ritchie, Andrew W; Webb, Lauren J

    2015-11-05

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

  8. Electrostatic interactions between the CTX phage minor coat protein and the bacterial host receptor TolA drive the pathogenic conversion ofVibrio cholerae.

    Science.gov (United States)

    Houot, Laetitia; Navarro, Romain; Nouailler, Matthieu; Duché, Denis; Guerlesquin, Françoise; Lloubes, Roland

    2017-08-18

    Vibrio cholerae is a natural inhabitant of aquatic environments and converts to a pathogen upon infection by a filamentous phage, CTXΦ, that transmits the cholera toxin-encoding genes. This toxigenic conversion of V. cholerae has evident implication in both genome plasticity and epidemic risk, but the early stages of the infection have not been thoroughly studied. CTXΦ transit across the bacterial periplasm requires binding between the minor coat protein named pIII and a bacterial inner-membrane receptor, TolA, which is part of the conserved Tol-Pal molecular motor. To gain insight into the TolA-pIII complex, we developed a bacterial two-hybrid approach, named Oxi-BTH, suited for studying the interactions between disulfide bond-folded proteins in the bacterial cytoplasm of an Escherichia coli reporter strain. We found that two of the four disulfide bonds of pIII are required for its interaction with TolA. By combining Oxi-BTH assays, NMR, and genetic studies, we also demonstrate that two intermolecular salt bridges between TolA and pIII provide the driving forces of the complex interaction. Moreover, we show that TolA residue Arg-325 involved in one of the two salt bridges is critical for proper functioning of the Tol-Pal system. Our results imply that to prevent host evasion, CTXΦ uses an infection strategy that targets a highly conserved protein of Gram-negative bacteria essential for the fitness of V. cholerae in its natural environment. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  9. Experimental and numerical study of the strong interaction between wakes of cylindrical obstacles; Etude experimentale et numerique de l'interaction forte entre sillages d'obstacles cylindriques

    Energy Technology Data Exchange (ETDEWEB)

    Brun, Ch

    1998-04-02

    In the context of thermal-hydraulics of nuclear reactors, strong interaction between wakes is encountered in the bottom of reactor vessels where control and measurement rods of variable size and disposition interact with the overall wakes generated in these flow zones. This study deals with the strong interaction between two wakes developed downstream of two parallel cylinders with a small spacing. The analysis focusses on the effect of the Reynolds regime which controls the equilibrium between the inertia and viscosity forces of the fluid and influences the large scale behaviour of the flow with the development of hydrodynamic instabilities and turbulence. The document is organized as follows: the characteristic phenomena of wakes formation downstream of cylindrical obstacles are recalled in the first chapter (single cylinder, interaction between two tubes, case of a bundle of tubes perpendicular to the flow). The experimental setup (hydraulic loop, velocity and pressure measurement instrumentation) and the statistical procedures applied to the signals measured are detailed in chapters 2 and 3. Chapter 4 is devoted to the experimental study of the strong interaction between two tubes. Laser Doppler velocity measurements in the wakes close to cylinders and pressure measurements performed on tube walls are reported in this chapter. In chapter 5, a 2-D numerical simulation of two typical cases of interaction (Re = 1000 and Re = 5000) is performed. In the last chapter, a more complex application of strong interactions inside and downstream of a bunch of staggered tubes is analyzed experimentally for equivalent Reynolds regimes. (J.S.)

  10. INTERACTION OF LASER RADIATION WITH MATTER. LASER PLASMA: Self-pumped passive ring mirror in crystals with strong fanning

    Science.gov (United States)

    Bogodaev, N. V.; Zozulya, A. A.; Ivleva, Lyudmila I.; Korshunov, A. S.; Mamaev, A. V.; Polozkov, N. M.

    1992-05-01

    Most photorefractive crystals suitable for four-wave systems of phase self-conjugation and mutual conjugation have a fairly high level of light-induced scattering (fanning). This may imply that the nonlinearity of a crystal is too strong for optimal operation and a reduction in this nonlinearity would improve the characteristics. This statement is illustrated theoretically and experimentally using the geometry of a loop parametric oscillator as an example.

  11. Limits on cosmological variation of strong interaction and quark masses from big bang nucleosynthesis, cosmic, laboratory and Oklo data

    International Nuclear Information System (INIS)

    Flambaum, V.V.; Shuryak, E.V.

    2002-01-01

    Recent data on the cosmological variation of the electromagnetic fine structure constant from distant quasar (QSO) absorption spectra have inspired a more general discussion of the possible variation of other constants. We discuss the variation of strong scale and quark masses. We derive limits on their relative change from (i) primordial big bang nucleosynthesis, (ii) the Oklo natural nuclear reactor, (iii) quasar absorption spectra, and (iv) laboratory measurements of hyperfine intervals

  12. Investigation of glutathione-derived electrostatic and hydrogen-bonding interactions and their role in defining Grx5 [2Fe-2S] cluster optical spectra and transfer chemistry.

    Science.gov (United States)

    Sen, Sambuddha; Bonfio, Claudia; Mansy, Sheref S; Cowan, J A

    2018-03-01

    Human glutaredoxin 5 (Grx5) is one of the core components of the Isc (iron-sulfur cluster) assembly and trafficking machinery, and serves as an intermediary cluster carrier, putatively delivering cluster from the Isu scaffold protein to target proteins. The tripeptide glutathione is intimately involved in this role, providing cysteinyl coordination to the iron center of the Grx5-bound [2Fe-2S] cluster. Grx5 has a well-defined glutathione-binding pocket with protein amino acid residues providing many ionic and hydrogen binding contacts to the bound glutathione. In this report, we investigated the importance of these interactions in cluster chirality and exchange reactivity by systematically perturbing the crucial contacts by use of natural and non-natural amino acid substitutions to disrupt the binding contacts from both the protein and glutathione. Native Grx5 could be reconstituted with all of the glutathione analogs used, as well as other thiol ligands, such as DTT or L-cysteine, by in vitro chemical reconstitution, and the holo proteins were found to transfer [2Fe-2S] cluster to apo ferredoxin 1 at comparable rates. However, the circular dichroism spectra of these derivatives displayed prominent differences that reflect perturbations in local cluster chirality. These studies provided a detailed molecular understanding of glutathione-protein interactions in holo Grx5 that define both cluster spectroscopy and exchange chemistry.

  13. Investigation of the source size and strong interaction with the femtoscopic correlations of baryons and antibaryons in heavy-ion collisions registered by ALICE

    CERN Document Server

    AUTHOR|(INSPIRE)INSPIRE-00508100

    The strong interaction is one of the four fundamental forces of nature. It binds together quarks inside protons and neutrons (which are example of baryons - particles composed of three quarks) and assures the stability of the atomic nucleus. Parameters describing the strong potential are also crucial for the neutron stars models used in astrophysics. What is more, a precise study of strongly interacting particles may help to better understand the process of baryon annihilation. The current knowledge of the strong interactions between baryons other than nucle- ons is limited - there exist only a few measurements of the cross sections for pairs of (anti)baryons. The reason is that in many cases it is not possible to perform scattering experiments with beams of particles and antiparticles, as the exotic matter (such as Λ, Ξ or Σ baryons) is very shot-living. This issue can be solved thanks to the recent particle colliders like the Large Hadron Collider and experiments dedicated to study the heavy-ion collisio...

  14. Effect of exotic long-lived sub-strongly interacting massive particles in big bang nucleosynthesis and a new solution to the Li problem

    Directory of Open Access Journals (Sweden)

    Kawasaki Masahiro

    2012-02-01

    Full Text Available The plateau of 7Li abundance as a function of the iron abundance by spectroscopic observations of metal-poor halo stars (MPHSs indicates its primordial origin. The observed abundance levels are about a factor of three smaller than the primordial 7Li abundance predicted in the standard Big Bang Nucleosynthesis (BBN model. This discrepancy might originate from exotic particle and nuclear processes operating in BBN epoch. Some particle models include heavy (m >> 1 GeV long-lived colored particles which would be confined inside exotic heavy hadrons, i.e., strongly interacting massive particles (SIMPs. We have found reactions which destroy 7Be and 7Li during BBN in the scenario of BBN catalyzed by a long-lived sub-strongly interacting massive particle (sub-SIMP, X. The reactions are non radiative X captures of 7 Be and 7Li which can be operative if the X particle interacts with nuclei strongly enough to drive 7 Be destruction but not strongly enough to form a bound state with 4 He of relative angular momentum L = 1. We suggest that 7Li problem can be solved as a result of a new process beyond the standard model through which the observable signature was left on the primordial Li abundance.

  15. Electrostatic assembly of zwitterionic and amphiphilic supraparticles.

    Science.gov (United States)

    Maas, Michael; Silvério, Carolina C; Laube, Jens; Rezwan, Kurosch

    2017-09-01

    We demonstrate the electrostatic assembly of oppositely charged silica particles into an ensemble of well-defined core-satellite supraparticles, which are a type of patchy particle. To achieve controlled heteroaggregation, we used oppositely charged silica particles with different sizes ranging from 5nm to 150nm at several concentrations. The assembly works best with larger particles, resulting in a fairly low polydispersity and a low amount of bridging between the individual clusters. Using smaller particles produces high polydispersity, large clusters and uncontrolled aggregation and bridging. Furthermore, even with controlled aggregation into well-defined clusters in the case of bigger particles, we observe an uneven covering of the central particles with around 1-6 satellite particles adsorbed to the central particle. This behavior is not predicted by simple pairwise DLVO potentials which would anticipate an even spacing of the satellite particles on the core. We explain these observations by taking into account the interactions of the adsorbing particles within the ionic cloud of the central particle. We hypothesize that when the adsorbing satellite particles are small compared to the diameter of the ion cloud of the core particle, they aggregate within the ion cloud and therefore do not create a well-defined monolayer on the surface of the core particle, instead forming small agglomerates during adsorption. Finally, both the assembled zwitterionic clusters and clusters that were partially hydrophobized were tested for their capabilities as Pickering emulsifiers. The zwitterionic clusters showed a strongly increased surface activity compared to the individual particles, while the hydrophobized particles changed the emulsion type from w/o to o/w. Interfacial dilatational rheological tests supported the observations from the emulsion tests. With this, we demonstrate that a relatively unordered ensemble of supraparticles is able to show well-defined functionality

  16. Average and extreme multi-atom Van der Waals interactions: Strong coupling of multi-atom Van der Waals interactions with covalent bonding

    Directory of Open Access Journals (Sweden)

    Finkelstein Alexei V

    2007-07-01

    Full Text Available Abstract Background The prediction of ligand binding or protein structure requires very accurate force field potentials – even small errors in force field potentials can make a 'wrong' structure (from the billions possible more stable than the single, 'correct' one. However, despite huge efforts to optimize them, currently-used all-atom force fields are still not able, in a vast majority of cases, even to keep a protein molecule in its native conformation in the course of molecular dynamics simulations or to bring an approximate, homology-based model of protein structure closer to its native conformation. Results A strict analysis shows that a specific coupling of multi-atom Van der Waals interactions with covalent bonding can, in extreme cases, increase (or decrease the interaction energy by about 20–40% at certain angles between the direction of interaction and the covalent bond. It is also shown that on average multi-body effects decrease the total Van der Waals energy in proportion to the square root of the electronic component of dielectric permittivity corresponding to dipole-dipole interactions at small distances, where Van der Waals interactions take place. Conclusion The study shows that currently-ignored multi-atom Van der Waals interactions can, in certain instances, lead to significant energy effects, comparable to those caused by the replacement of atoms (for instance, C by N in conventional pairwise Van der Waals interactions.

  17. A new scalar resonance at 750 GeV: towards a proof of concept in favor of strongly interacting theories

    International Nuclear Information System (INIS)

    Son, Minho; Urbano, Alfredo

    2016-01-01

    We interpret the recently observed excess in the diphoton invariant mass as a new spin-0 resonant particle. On theoretical grounds, an interesting question is whether this new scalar resonance belongs to a strongly coupled sector or a well-defined weakly coupled theory. A possible UV-completion that has been widely considered in literature is based on the existence of new vector-like fermions whose loop contributions — Yukawa-coupled to the new resonance — explain the observed signal rate. The large total width preliminarily suggested by data seems to favor a large Yukawa coupling, at the border of a healthy perturbative definition. This potential problem can be fixed by introducing multiple vector-like fermions or large electric charges, bringing back the theory to a weakly coupled regime. However, this solution risks to be only a low-energy mirage: large multiplicity or electric charge can dangerously reintroduce the strong regime by modifying the renormalization group running of the dimensionless couplings. This issue is also tightly related to the (in)stability of the scalar potential. First, we study — in the theoretical setup described above — the parametric behavior of the diphoton signal rate, total width, and one-loop β functions. Then, we numerically solve the renormalization group equations, taking into account the observed diphoton signal rate and total width, to investigate the fate of the weakly coupled theory. We find that — with the only exception of few fine-tuned directions — weakly coupled interpretations of the excess are brought back to a strongly coupled regime if the running is taken into account.

  18. Micellar solubilization in strongly interacting binary surfactant systems. [Binary surfactant systems of: dodecyltrimethylammonium chloride + sodium dodecyl sulfate; benzyldimethyltetradecylammonium chloride + tetradecyltrimethylammonium chloride

    Energy Technology Data Exchange (ETDEWEB)

    Treiner, C. (Universite Pierre et Marie Curie, Paris (France)); Nortz, M.; Vaution, C. (Faculte de Pharmacie de Paris-sud, Chatenay-Malabry (France))

    1990-07-01

    The apparent partition coefficient P of barbituric acids between micelles and water has been determined in mixed binary surfactant solutions from solubility measurements in the whole micellar composition range. The binary systems chosen ranged from the strongly interacting system dodecyltrimethylammonium chloride + sodium dodecyl sulfate to weakly interacting systems such as benzyldimethyltetradecylammonium chloride + tetradecyltrimethyammonium chloride. In all cases studied, mixed micelle formation is unfavorable to micellar solubilization. A correlation is found between the unlike surfactants interaction energy, as measured by the regular solution parameter {beta} and the solute partition coefficient change upon surfactant mixing. By use of literature data on micellar solubilization in binary surfactant solutions, it is shown that the change of P for solutes which are solubilized by surface adsorption is generally governed by the sign and amplitude of the interaction parameter {beta}.

  19. Comparative evaluation of electrostatic repulsion-hydrophilic interaction chromatography (ERLIC) and high-pH reversed phase (Hp-RP) chromatography in profiling of rat kidney proteome.

    Science.gov (United States)

    Hao, Piliang; Ren, Yan; Dutta, Bamaprasad; Sze, Siu Kwan

    2013-04-26

    ERLIC and high-pH RP (Hp-RP) have been reported to be promising alternatives to strong cation exchange (SCX) in proteome fractionation. Here we compared the performance of ERLIC, concatenated ERLIC and concatenated Hp-RP in proteome profiling. The protein identification is comparable in these three strategies, but significantly more unique peptides are identified by the two concatenation methods, resulting in a significant increase of the average protein sequence coverage. The pooling of fractions from spaced intervals results in more uniform distribution of peptides in each fraction compared with the chromatogram-based pooling of adjacent fractions. ERLIC fractionates peptides according to their pI and GRAVY values. These properties remains but becomes less remarkable in concatenated ERLIC. In contrast, the average pI and GRAVY values of the peptides are comparable in each fraction in concatenated Hp-RP. ERLIC performs the best in identifying peptides with pI>9 among the three strategies, while concatenated Hp-RP is good at identifying peptides with pIHp-RP identify significantly more unique peptides than ERLIC. ERLIC is good at analyzing basic peptides, while concatenated Hp-RP performs the best in analyzing acidic peptides with pI<4. This will facilitate the choice of the proper peptide fractionation strategy based on a specific need. A combination of different fractionation strategies can be used to increase the sequence coverage and number of protein identification due to the complementary effect between different methods. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. Strong Cation···π Interactions Promote the Capture of Metal Ions within Metal-Seamed Nanocapsule

    Science.gov (United States)

    2015-01-01

    Thallium ions are transported to the interior of gallium-seamed pyrogallol[4]arene nanocapsules. In comparison to the capture of Cs ions, the extent of which depends on the type and position of the anion employed in the cesium salt, the enhanced strength of Tl···π vs Cs···π interactions facilitates permanent entrapment of Tl+ ions on the capsule interior. “Stitching-up” the capsule seam with a tertiary metal (Zn, Rb, or K) affords new trimetallic nanocapsules in solid state. PMID:25405777

  1. Aharonov-Casher and spin Hall effects in mesoscopic ring structures with strong spin-orbit interaction

    Czech Academy of Sciences Publication Activity Database

    Borunda, M.F.; Liu, X.; Kovalev, A.A.; Liu, X.-J.; Jungwirth, Tomáš; Sinova, J.

    2008-01-01

    Roč. 78, č. 24 (2008), 245315/1-245315/9 ISSN 1098-0121 R&D Projects: GA MŠk LC510; GA AV ČR KAN400100652; GA ČR GEFON/06/E002 EU Projects: European Commission(XE) 015728 - NANOSPIN Institutional research plan: CEZ:AV0Z10100521 Keywords : Aharonov-Casher effect * spin Hall effect * spin-orbit interaction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.322, year: 2008

  2. Universal low energy physics in one-dimensional multicompnent Fermi gases with a strongly repulsive $\\delta$-function interaction

    OpenAIRE

    Jiang, Yuzhu; He, Peng; Guan, Xi-Wen

    2016-01-01

    It was shown [Chin. Phys. Lett. 28, 020503 (2011)] that at zero temperature the ground state of the one-dimensional (1D) $w$-component Fermi gas coincides with that of the spinless Bose gas in the limit $\\omega\\to \\infty$. This behaviour was experimentally evidenced through a quasi-1D tightly trapping ultracold ${}^{173}$Yb atoms in the recent paper [Nature Physics 10, 198 (2014)]. However, understanding of low temperature behaviour of the Fermi gases with a repulsive interaction acquires spi...

  3. A Test of the Flavor Independence of Strong Interactions in e+e- Annihilation at the Z0 Pole

    Energy Technology Data Exchange (ETDEWEB)

    Muller, David

    1999-09-03

    This thesis presents a comparison of the strong coupling of the gluons to light (ql = u + d + s), c, and b quarks, determined from multijet rates in flavor-tagged samples of approximately 150,000 hadronic Z0 decays recorded with the SLC Large Detector at the SLAC Linear Collider between 1993 and 1995. Flavor separation among primary ql {anti ql} , c{anti c} and b {anti b} final states was made on the basis of the reconstructed mass of long-lived heavy-hadron decay vertices, yielding tags with high purity and low bias against {>=} 3-jet final states. The data obtained imply no flavor dependence within our sensitivity.

  4. Experimental characterization of a strongly coupled solid density plasma generated in a short-pulse laser target interaction

    International Nuclear Information System (INIS)

    Gregori, G.; Hansen, S.B.; Key, M.H.; King, J.; Mackinnon, A.J.; Park, H.; Patel, P.K.; Shepard, R.; Snavely, R.A.; Wilks, S.C.; Glenzer, S.H.

    2005-01-01

    We have measured high resolution copper Kα spectra from a picosecond high intensity laser produced plasma. By fitting the shape of the experimental spectra with a self-consistent-field model which includes all the relevant line shifts from multiply ionized atoms, we are able to infer time and spatially averaged electron temperatures (T e ) and ionization state (Z) in the foil. Our results show increasing values for T e and Z when the overall mass of the target is reduced. In particular, we measure temperatures in excess of 200 eV with Z ∼ 13-14. For these conditions the ion-ion coupling constant is Λ ii ∼ 8-9, thus suggesting the achievement of a strongly coupled plasma regime

  5. Hund Interaction, Spin-Orbit Coupling, and the Mechanism of Superconductivity in Strongly Hole-Doped Iron Pnictides

    Science.gov (United States)

    Vafek, Oskar; Chubukov, Andrey V.

    2017-02-01

    We present a novel mechanism of s -wave pairing in Fe-based superconductors. The mechanism involves holes near dx z/dy z pockets only and is applicable primarily to strongly hole doped materials. We argue that as long as the renormalized Hund's coupling J exceeds the renormalized interorbital Hubbard repulsion U', any finite spin-orbit coupling gives rise to s -wave superconductivity. This holds even at weak coupling and regardless of the strength of the intraorbital Hubbard repulsion U . The transition temperature grows as the hole density decreases. The pairing gaps are fourfold symmetric, but anisotropic, with the possibility of eight accidental nodes along the larger pocket. The resulting state is consistent with the experiments on KFe2 As2 .

  6. Electric quadrupole moments and strong interaction effects in pionic atoms of 165Ho, 175Lu, 176Lu, 179Hf and 181Ta

    International Nuclear Information System (INIS)

    Olaniyi, B.; Shor, A.; Cheng, S.C.; Dugan, G.; Wu, C.S.

    1981-05-01

    The effective quadrupole moments Q sub(eff) of the nuclei of 165 Ho, 175 Lu, 176 Lu, 179 Hf and 181 Ta were accurately measured by detecting the pionic atom 5g-4f x-rays of the elements. The spectroscopic quadrupole moments, Q sub(spec), were obtained by correcting Q sub(eff) for nuclear finite size effect, distortion of the pion wave function by the pion-nucleus strong interaction, and contribution to the energy level splittings by the strong interaction. The intrinsic quadrupole moments, Q 0 , were obtained by projecting Q sub(spec) into the frame of reference fixed on the nucleus. The shift, epsilon 0 , and broadening, GAMMA 0 , of the 4f energy level due to the strong interactions between the pion and the nucleons for all the elements were also measured. Theoretical values of epsilon 0 and GAMMA 0 were calculated and compared to the experimental values. The measured values of Q 0 were compared with the existing results in muonic and pionic atoms. The measured values of epsilon 0 and GAMMA 0 were also compared with existing values. (auth)

  7. Electrostatic atomization emdash Experiment, theory and industrial applications

    International Nuclear Information System (INIS)

    Okuda, H.; Kelly, A.J.

    1996-01-01

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

  8. Electrical operation of electrostatic precipitators

    CERN Document Server

    Parker, Ken

    2003-01-01

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

  9. Strong Turbulence in Low-beta Plasmas

    DEFF Research Database (Denmark)

    Tchen, C. M.; Pécseli, Hans; Larsen, Søren Ejling

    1980-01-01

    An investigation of the spectral structure of turbulence in a plasma confined by a strong homogeneous magnetic field was made by means of a fluid description. The turbulent spectrum is divided into subranges. Mean gradients of velocity and density excite turbulent motions, and govern the production...... subrange. The spectra of velocity and potential fluctuations interact in the coupling subrange, and the energy is transferred along the spectrum in the inertia subrange. Applying the method of cascade decomposition, the spectral laws k-3, k-3, k-2 are obtained for the velocity fluctuations, and k-3, k-5, k......-3/2 for the potential fluctuations in the production, coupling and inertia subranges, respectively. The coefficient of Bohm diffusion is reproduced, and its role in electrostatic coupling is derived. Comparison is made with measured power laws reported in the literature, from Q-devices, hot...

  10. Disentangling weak and strong interactions in B → K*(→ Kπ)π Dalitz-plot analyses

    Energy Technology Data Exchange (ETDEWEB)

    Charles, Jerome [CNRS, Aix-Marseille Univ., Universite de Toulon, CPT UMR 7332, Marseille (France); Descotes-Genon, Sebastien [CNRS, Univ. Paris-Sud, Universite Paris-Saclay, Laboratoire de Physique Theorique (UMR 8627), Orsay (France); Ocariz, Jose [Sorbonne Universites, UPMC Univ. Paris 06, UMR 7585, LPNHE, Paris (France); Universite Paris Diderot, LPNHE UMR 7585, Sorbonne Paris Cite, Paris (France); Perez Perez, Alejandro [Universite de Strasbourg, CNRS, IPHC UMR 7178, Strasbourg (France); Collaboration: For the CKMfitter Group

    2017-08-15

    Dalitz-plot analyses of B → Kππ decays provide direct access to decay amplitudes, and thereby weak and strong phases can be disentangled by resolving the interference patterns in phase space between intermediate resonant states. A phenomenological isospin analysis of B → K*(→ Kπ)π decay amplitudes is presented exploiting available amplitude analyses performed at the BaBar, Belle and LHCb experiments. A first application consists in constraining the CKM parameters thanks to an external hadronic input. A method, proposed some time ago by two different groups and relying on a bound on the electroweak penguin contribution, is shown to lack the desired robustness and accuracy, and we propose a more alluring alternative using a bound on the annihilation contribution. A second application consists in extracting information on hadronic amplitudes assuming the values of the CKM parameters from a global fit to quark flavour data. The current data yields several solutions, which do not fully support the hierarchy of hadronic amplitudes usually expected from theoretical arguments (colour suppression, suppression of electroweak penguins), as illustrated from computations within QCD factorisation. Some prospects concerning the impact of future measurements at LHCb and Belle II are also presented. Results are obtained with the CKMfitter analysis package, featuring the frequentist statistical approach and using the Rfit scheme to handle theoretical uncertainties. (orig.)

  11. SIMION, Electrostatic Lens Analysis and Design

    International Nuclear Information System (INIS)

    Dahl, David A.

    2001-01-01

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

  12. Strong- and Weak-Universal Critical Behaviour of a Mixed-Spin Ising Model with Triplet Interactions on the Union Jack (Centered Square) Lattice

    Science.gov (United States)

    Strečka, Jozef

    2018-01-01

    The mixed spin-1/2 and spin-S Ising model on the Union Jack (centered square) lattice with four different three-spin (triplet) interactions and the uniaxial single-ion anisotropy is exactly solved by establishing a rigorous mapping equivalence with the corresponding zero-field (symmetric) eight-vertex model on a dual square lattice. A rigorous proof of the aforementioned exact mapping equivalence is provided by two independent approaches exploiting either a graph-theoretical or spin representation of the zero-field eight-vertex model. An influence of the interaction anisotropy as well as the uniaxial single-ion anisotropy on phase transitions and critical phenomena is examined in particular. It is shown that the considered model exhibits a strong-universal critical behaviour with constant critical exponents when considering the isotropic model with four equal triplet interactions or the anisotropic model with one triplet interaction differing from the other three. The anisotropic models with two different triplet interactions, which are pairwise equal to each other, contrarily exhibit a weak-universal critical behaviour with critical exponents continuously varying with a relative strength of the triplet interactions as well as the uniaxial single-ion anisotropy. It is evidenced that the variations of critical exponents of the mixed-spin Ising models with the integer-valued spins S differ basically from their counterparts with the half-odd-integer spins S.

  13. SN 2011A: A Low-luminosity Interacting Transient with a Double Plateau and Strong Sodium Absorption

    Science.gov (United States)

    de Jaeger, T.; Anderson, J. P.; Pignata, G.; Hamuy, M.; Kankare, E.; Stritzinger, M. D.; Benetti, S.; Bufano, F.; Elias-Rosa, N.; Folatelli, G.; Förster, F.; González-Gaitán, S.; Gutiérrez, C. P.; Inserra, C.; Kotak, R.; Lira, P.; Morrell, N.; Taddia, F.; Tomasella, L.

    2015-07-01

    We present optical photometry and spectroscopy of the optical transient SN 2011A. Our data span 140 days after discovery including {BVRI} u\\prime g\\prime r\\prime i\\prime z\\prime photometry and 11 epochs of optical spectroscopy. Originally classified as a type IIn supernova (SN IIn) due to the presence of narrow Hα emission, this object shows exceptional characteristics. First, the light curve shows a double plateau, a property only observed before in the impostor SN 1997bs. Second, SN 2011A has a very low luminosity ({M}V=-15.72), placing it between normal luminous SNe IIn and SN impostors. Third, SN 2011A shows low velocity and high equivalent width absorption close to the sodium doublet, which increases with time and is most likely of circumstellar origin. This evolution is also accompanied by a change in line profile; when the absorption becomes stronger, a P Cygni profile appears. We discuss SN 2011A in the context of interacting SNe IIn and SN impostors, which appears to confirm the uniqueness of this transient. While we favor an impostor origin for SN 2011A, we highlight the difficulty in differentiating between terminal and non-terminal interacting transients. This paper includes data obtained with the 6.5 m Magellan Telescopes and du Pont telescope; the Gemini-North Telescope, Mauna Kea, USA (Gemini Program GN-2010B-Q67, PI: Stritzinger); the PROMPT telescopes at Cerro Tololo Inter-American Observatory in Chile; with the Liverpool Telescope operated on the island of La Palma by Liverpool John Moores University in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias with financial support from the UK Science and Technology Facilities Council; based on observations made with the Nordic Optical Telescope, operated by the Nordic Optical Telescope Scientific Association at the Observatorio del Roque de los Muchachos, La Palma, Spain, of the Instituto de Astrofisica de Canarias; the NTT from ESO Science Archive

  14. Time- and frequency-resolved detection of atomic coherence in the regime of strong-field interaction with intense femtosecond laser pulses

    International Nuclear Information System (INIS)

    Konorov, S. O.; Hepburn, J. W.; Milner, V.

    2011-01-01

    Understanding the effect of strong laser pulses on the evolution of an atomic or molecular wave function is important in the context of coherent control in the strong-field regime, when power broadening and dynamic Stark shifts become comparable with or bigger than the bandwidth of the control field. We experimentally demonstrate the method of complete characterization of a complex-valued amplitude of a quantum state driven by a strong two-photon field. The method is based on coherent scattering of a weak probe pulse from the strong-field-induced atomic coherence, followed by the detection of the time- and frequency-resolved parametric four-wave-mixing signal. We show that the proposed technique corresponds to a cross-correlation frequency-resolved optical gating (XFROG) of the highly perturbed evolution of an atomic quantum state. Utilizing the XFROG retrieval algorithm, we determine both the amplitude and phase of an atomic wave function at any time moment throughout the interaction with the driving field. The direct retrieval of the time-dependent phase of the wave function, rather than the population dynamics only, enables us to observe the strong-field effects with arbitrary time and frequency resolution.

  15. Onset of deconfinement and search for the critical point of strongly interacting matter at CERN SPS energies

    CERN Document Server

    Rybczynski, Maciej; Baatar, B.; Barna, D.; Bartke, J.; Beck, H.; Betev, L.; Bialkowska, H.; Blume, C.; Bogusz, M.; Boimska, B.; Book, J.; Botje, M.; Buncic, P.; Cetner, T.; Christakoglou, P.; Chung, P.; Chvala, O.; Cramer, J.G.; Eckardt, V.; Fodor, Z.; Foka, P.; Friese, V.; Gazdzicki, M.; Grebieszkow, K.; Hohne, C.; Kadija, K.; Karev, A.; Kolesnikov, V.I.; Kowalski, M.; Kresan, D.; Laszlo, A.; Lacey, R.; van Leeuwen, M.; Mackowiak-Pawlowska, M.; Makariev, M.; Malakhov, A.I.; Mateev, M.; Melkumov, G.L.; Mitrovski, M.; Mrowczynski, St.; Nicolic, V.; Palla, G.; Panagiotou, A.D.; Peryt, W.; Pluta, J.; Prindle, D.; Puhlhofer, F.; Renfordt, R.; Roland, C.; Roland, G.; Rybczynski, M.; Rybicki, A.; Sandoval, A.; Schmitz, N.; Schuster, T.; Seyboth, P.; Sikler, F.; Skrzypczak, E.; Slodkowski, M.; Stefanek, G.; Stock, R.; Strobele, H.; Susa, T.; Szuba, M.; Utvic, M.; Varga, D.; Vassiliou, M.; Veres, G.I.; Vesztergombi, G.; Vranic, D.; Wlodarczyk, Z.; Wojtaszek-Szwarc, A.

    2013-01-01

    The exploration of the QCD phase diagram particularly the search for a phase transition from hadronic to partonic degrees of freedom and possibly a critical endpoint, is one of the most challenging tasks in present heavy-ion physics. As observed by the NA49 experiment, several hadronic observables in central Pb+Pb collisions at the CERN SPS show qualitative changes in their energy dependence. These features are not observed in elementary interactions and indicate the onset of a phase transition in the SPS energy range. The existence of a critical point is expected to result in the increase of event-by-event fluctuations of various hadronic observables provided that the freeze-out of the measured hadrons occurs close to its location in the phase diagram and the evolution of the final hadron phase does not erase the fluctuations signals. A selection of NA49 results on di-pion and proton intermittency from the scan of the phase diagram will be discussed.

  16. Onset of deconfinement and search for the critical point of strongly interacting matter at CERN SPS energies

    CERN Document Server

    Rybczyński, Maciej

    2014-01-01

    The exploration of the QCD phase diagram particularly the search for a phase transition from hadronic to partonic degrees of freedom and possibly a critical endpoint, is one of the most challenging tasks in present heavy-ion physics. As observed by the NA49 experiment, several hadronic observables in central Pb+Pb collisions at the CERN SPS show qualitative changes in their energy dependence. These features are not observed in elementary interactions and indi- cate the onset of a phase transition in the SPS energy range. The existence of a critical point is expected to result in the increase of event-by-event fluctuations of various hadronic observables provided that the freeze-out of the measured hadrons occurs close to its location in the phase di- agram and the evolution of the final hadron phase does not erase the fluctuations signals. Further information about the existence and nature of a phase transition in the SPS energy range can be gained from the studies of event-by-event fluctuations of final stat...

  17. Unitary Dynamics of Strongly Interacting Bose Gases with the Time-Dependent Variational Monte Carlo Method in Continuous Space

    Science.gov (United States)

    Carleo, Giuseppe; Cevolani, Lorenzo; Sanchez-Palencia, Laurent; Holzmann, Markus

    2017-07-01

    We introduce the time-dependent variational Monte Carlo method for continuous-space Bose gases. Our approach is based on the systematic expansion of the many-body wave function in terms of multibody correlations and is essentially exact up to adaptive truncation. The method is benchmarked by comparison to an exact Bethe ansatz or existing numerical results for the integrable Lieb-Liniger model. We first show that the many-body wave function achieves high precision for ground-state properties, including energy and first-order as well as second-order correlation functions. Then, we study the out-of-equilibrium, unitary dynamics induced by a quantum quench in the interaction strength. Our time-dependent variational Monte Carlo results are benchmarked by comparison to exact Bethe ansatz results available for a small number of particles, and are also compared to quench action results available for noninteracting initial states. Moreover, our approach allows us to study large particle numbers and general quench protocols, previously inaccessible beyond the mean-field level. Our results suggest that it is possible to find correlated initial states for which the long-term dynamics of local density fluctuations is close to the predictions of a simple Boltzmann ensemble.

  18. Strong electromagnetic pulses generated in high-intensity short-pulse laser interactions with thin foil targets

    Science.gov (United States)

    Rączka, P.; Dubois, J.-L.; Hulin, S.; Tikhonchuk, V.; Rosiński, M.; Zaraś-Szydłowska, A.; Badziak, J.

    2017-12-01

    Measurements are reported of the target neutralization current, the target charge, and the tangential component of the magnetic field generated as a result of laser-target interaction by pulses with the energy in the range of 45 mJ to 92 mJ on target and the pulse duration from 39 fs to 1000 fs. The experiment was performed at the Eclipse facility in CELIA, Bordeaux. The aim of the experiment was to extend investigations performed for the thick (mm scale) targets to the case of thin (micrometer thickness) targets in a way that would allow for a straightforward comparison of the results. We found that thin foil targets tend to generate 20 to 50 percent higher neutralization current and the target charge than the thick targets. The measurement of the tangential component of the magnetic field had shown that the initial spike is dominated by the 1 ns pulse consistent with the 1 ns pulse of the neutralization current, but there are some differences between targets of different type on sub-ns scale, which is an effect going beyond a simple picture of the target acting as an antenna. The sub-ns structure appears to be reproducible to surprising degree. We found that there is in general a linear correlation between the maximum value of the magnetic field and the maximum neutralization current, which supports the target-antenna picture, except for pulses hundreds of fs long.

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  20. Ion sources for electrostatic accelerators

    International Nuclear Information System (INIS)

    Hellborg, R.

    1998-01-01

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

  1. Explosion safety in industrial electrostatics

    International Nuclear Information System (INIS)

    Szabo, S V; Kiss, I; Berta, I

    2011-01-01

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

  2. Correlation lengths of electrostatic turbulence

    International Nuclear Information System (INIS)

    Guiziou, L.; Garbet, X.

    1995-01-01

    This document deals with correlation length of electrostatic turbulence. First, the model of drift waves turbulence is presented. Then, the radial correlation length is determined analytically with toroidal coupling and non linear coupling. (TEC). 5 refs

  3. A Model Kelvin Electrostatic Generator.

    Science.gov (United States)

    Hill, M.; Jacobs, D. J.

    1997-01-01

    Describes how to construct a form of a Kelvin Electrostatics Generator from readily available components and provides an explanation of how it works. The device can generate 10-12 mm long sparks in the air. (DDR)

  4. Electrostatic beam-position monitor

    CERN Multimedia

    CERN PhotoLab

    1969-01-01

    Electrostatic beam-position monitor installed in its final location (bake-out cover removed). The ISR will contain about 110 of these monitors. Their accuracy is better than 1 mm, their band width about 1 MHz.

  5. Resonant behavior of dielectric objects (electrostatic resonances).

    Science.gov (United States)

    Fredkin, D R; Mayergoyz, I D

    2003-12-19

    Resonant behavior of dielectric objects occurs at certain frequencies for which the object permittivity is negative and the free-space wavelength is large in comparison with the object dimensions. Unique physical features of these resonances are studied and a novel technique for the calculation of resonance values of permittivity, and hence resonance frequencies, is proposed. Scale invariance of resonance frequencies, unusually strong orthogonality properties of resonance modes, and a two-dimensional phenomenon of "twin" spectra are reported. The paper concludes with brief discussions of optical controllability of these resonances in semiconductor nanoparticles and a plausible, electrostatic resonance based, mechanism for nucleation and formation of ball lightning.

  6. Electron gas interacting in a metal, submitted to a strong magnetic field; Gas de eletrons interagentes num metal, sujeito a um campo magnetico forte

    Energy Technology Data Exchange (ETDEWEB)

    Alcaraz, Francisco Castilho

    1977-07-01

    Using the propagator's technique in the grand ensemble developed by Montroll and Ward we investigate the magnetic properties of an interacting electron gas in a strong magnetic field. The free propagator properly constructed shows that the spin paramagnetism does not have a term with strong temperature dependence, contrary to the result of Isihara. Considering the electron density to be constant, the dHVA oscillations in the magnetic susceptibility and sound velocity, considering the effects of first exchange interactions, show only one phase in agreement with experimental result, while Ichimura and Isihara obtained two phases differing by {pi}/2. The effects of first order exchange interactions in the dHVA oscillations of the magnetic susceptibility and sound velocity give rise to an exponential factor in the amplitudes of oscillator (Dingle factor), being the Dingle temperature linearly dependent of the Fermi velocity. The calculations of the ring diagram contribution to the grand partition function, show that the approximation used by Isihara for this calculations is not good and the dHVA oscillations of the contributions from the ring diagrams for the grand partition function have a phase differing by {pi}/2 from that obtained by Isihara. (author)

  7. Nonlinear Dynamics of Carbon Nanotubes Under Large Electrostatic Force

    KAUST Repository

    Xu, Tiantian

    2015-06-01

    Because of the inherent nonlinearities involving the behavior of CNTs when excited by electrostatic forces, modeling and simulating their behavior is challenging. The complicated form of the electrostatic force describing the interaction of their cylindrical shape, forming upper electrodes, to lower electrodes poises serious computational challenges. This presents an obstacle against applying and using several nonlinear dynamics tools typically used to analyze the behavior of complicated nonlinear systems undergoing large motion, such as shooting, continuation, and integrity analysis techniques. This works presents an attempt to resolve this issue. We present an investigation of the nonlinear dynamics of carbon nanotubes when actuated by large electrostatic forces. We study expanding the complicated form of the electrostatic force into enough number of terms of the Taylor series. Then, we utilize this form along with an Euler-Bernoulli beam model to study for the first time the dynamic behavior of CNTs when excited by large electrostatic force. The geometric nonlinearity and the nonlinear electrostatic force are considered. An efficient reduced-order model (ROM) based on the Galerkin method is developed and utilized to simulate the static and dynamic responses of the CNTs. Several results are generated demonstrating softening and hardening behavior of the CNTs near their primary and secondary resonances. The effects of the DC and AC voltage loads on the behavior have been studied. The impacts of the initial slack level and CNT diameter are also demonstrated.

  8. NONLINEAR DYNAMICS OF CARBON NANOTUBES UNDER LARGE ELECTROSTATIC FORCE

    KAUST Repository

    Xu, Tiantian

    2015-06-01

    Because of the inherent nonlinearities involving the behavior of CNTs when excited by electrostatic forces, modeling and simulating their behavior is challenging. The complicated form of the electrostatic force describing the interaction of their cylindrical shape, forming upper electrodes, to lower electrodes poises serious computational challenges. This presents an obstacle against applying and using several nonlinear dynamics tools typically used to analyze the behavior of complicated nonlinear systems undergoing large motion, such as shooting, continuation, and integrity analysis techniques. This works presents an attempt to resolve this issue. We present an investigation of the nonlinear dynamics of carbon nanotubes when actuated by large electrostatic forces. We study expanding the complicated form of the electrostatic force into enough number of terms of the Taylor series. Then, we utilize this form along with an Euler-Bernoulli beam model to study for the first time the dynamic behavior of CNTs when excited by large electrostatic force. The geometric nonlinearity and the nonlinear electrostatic force are considered. An efficient reduced-order model (ROM) based on the Galerkin method is developed and utilized to simulate the static and dynamic responses of the CNTs. Several results are generated demonstrating softening and hardening behavior of the CNTs near their primary and secondary resonances. The effects of the DC and AC voltage loads on the behavior have been studied. The impacts of the initial slack level and CNT diameter are also demonstrated.

  9. Electrostatic tuning of Kondo effect in a rare-earth-doped wide-band-gap oxide

    KAUST Repository

    Li, Yongfeng

    2013-04-29

    As a long-lived theme in solid-state physics, the Kondo effect reflects the many-body physics involving the short-range Coulomb interactions between itinerant electrons and localized spins in metallic materials. Here we show that the Kondo effect is present in ZnO, a prototypical wide-band-gap oxide, doped with a rare-earth element (Gd). The localized 4f electrons of Gd ions do not produce remanent magnetism, but interact strongly with the host electrons, giving rise to a saturating resistance upturn and negative magnetoresistance at low temperatures. Furthermore, the Kondo temperature and resistance can be electrostatically modulated using electric-double-layer gating with liquid ionic electrolyte. Our experiments provide the experimental evidence of tunable Kondo effect in ZnO, underscoring the magnetic interactions between localized and itinerant electrons and the emergent transport behaviors in such doped wide-band-gap oxides.

  10. Strong and Selective Adsorption of Lysozyme on Graphene Oxide

    Science.gov (United States)

    2015-01-01

    Biosensing methods and devices using graphene oxide (GO) have recently been explored for detection and quantification of specific biomolecules from body fluid samples, such as saliva, milk, urine, and serum. For a practical diagnostics application, any sensing system must show an absence of nonselective detection of abundant proteins in the fluid matrix. Because lysozyme is an abundant protein in these body fluids (e.g., around 21.4 and 7 μg/mL of lysozyme is found in human milk and saliva from healthy individuals, and more than 15 or even 100 μg/mL in patients suffering from leukemia, renal disease, and sarcoidosis), it may interfere with detections and quantification if it has strong interaction with GO. Therefore, one fundamental question that needs to be addressed before any development of GO based diagnostics method is how GO interacts with lysozyme. In this study, GO has demonstrated a strong interaction with lysozyme. This interaction is so strong that we are able to subsequently eliminate and separate lysozyme from aqueous solution onto the surface of GO. Furthermore, the strong electrostatic interaction also renders the selective adsorption of lysozyme on GO from a mixture of binary and ternary proteins. This selectivity is confirmed by sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), fluorescence spectroscopy, and UV–vis absorption spectroscopy. PMID:24684375

  11. $K^{0} \\leftrightharpoons \\overline{K}^0$ transitions monitored by strong interactions a new determination of the $K_{L} - K_{S}$ mass difference

    CERN Document Server

    Angelopoulos, Angelos; Backenstoss, Gerhard; Bargassa, P; Behnke, O; Benelli, A; Bertin, V; Blanc, F; Bloch, P; Carlson, P J; Carroll, M; Cawley, E; Chertok, M B; Danielsson, M; Dejardin, M; Derré, J; Ealet, A; Eleftheriadis, C; Fetscher, W; Fidecaro, Maria; Filipcic, A; Francis, D; Fry, J; Gabathuler, Erwin; Gamet, R; Gerber, H J; Go, A; Haselden, A; Haymen, P J; Henry-Coüannier, F; Hollander, R W; Jon-And, K; Kettle, P R; Kokkas, P; Kreuger, R; Le Gac, R; Leimgruber, F; Mandic, I; Manthos, N; Marel, Gérard; Mikuz, M; Miller, J; Montanet, François; Müller, A; Nakada, Tatsuya; Pagels, B; Papadopoulos, I M; Pavlopoulos, P; Polivka, G; Rickenbach, R; Roberts, B L; Ruf, T; Sakelliou, L; Schäfer, M; Schaller, L A; Schietinger, T; Schopper, A; Tauscher, Ludwig; Thibault, C; Touchard, F; Touramanis, C; van Eijk, C W E; Vlachos, S; Weber, P; Wigger, O; Wolter, M; Zavrtanik, D; Zimmerman, D

    2001-01-01

    The CPLEAR set-up (modified) has been used to determine the K/sub L/- K/sub S/ mass difference by a method where neutral-kaon strangeness oscillations are monitored through kaon strong interactions, rather than semileptonic decays, thus requiring no assumptions on CPT invariance for the decay amplitudes. The result, Delta m= (0.5343+or-0.0063/sub stat/+or-0.0025/sub syst/)*10/sup 10/ h(cross) /s, provides a valuable input for CPT tests. (22 refs).

  12. The Organic Secondary Building Unit: Strong Intermolecular π Interactions Define Topology in MIT-25, a Mesoporous MOF with Proton-Replete Channels.

    Science.gov (United States)

    Park, Sarah S; Hendon, Christopher H; Fielding, Alistair J; Walsh, Aron; O'Keeffe, Michael; Dincă, Mircea

    2017-03-15

    The structure-directing role of the inorganic secondary building unit (SBU) is key for determining the topology of metal-organic frameworks (MOFs). Here we show that organic building units relying on strong π interactions that are energetically competitive with the formation of common inorganic SBUs can also play a role in defining the topology. We demonstrate the importance of the organic SBU in the formation of Mg 2 H 6 (H 3 O)(TTFTB) 3 (MIT-25), a mesoporous MOF with the new ssp topology. A delocalized electronic hole is critical in the stabilization of the TTF triad organic SBUs and exemplifies a design principle for future MOF synthesis.

  13. LINE SHAPES OF DOPPLER-FREE RESONANCE IN SRFM: STRONG ATOM-WALL INTERACTION AND PRESSURE EFFECT ON THE FREQUENCY SHIFT OF AN ALKALI VAPOR

    Directory of Open Access Journals (Sweden)

    B BOUHAFS

    2003-12-01

    Full Text Available The attractive potential energy between the atoms of rubidium vapor and a dielectric wall has been investigated by monitoring the reflection light at the interface. The atom- wall interaction potential of the form V(z = - C /z3 (z: atom-wall allows to predict experimental results only for weak regime, i.e., where C<< 0.2 kHzmm3. In the strong interaction case, the dispersive line shape is turned into an absorption-type line shape. The influence of atomic density on the shift of  the selective reflection resonance  relatively to the frequency of unperturbed atomic transition is found to be red with a negative slope. This technique opens the way to characterize the windows made of different materials thin films.

  14. Extreme enhancement of blocking temperature by strong magnetic dipoles interaction of α-Fe nanoparticle-based high-density agglomerate

    International Nuclear Information System (INIS)

    Kura, H; Takahashi, M; Ogawa, T

    2011-01-01

    High-volume fraction α-Fe nanoparticle (NP) agglomerates were prepared using chemically synthesized NPs. In the agglomerate, NPs are separated by surfactant and NP superlattice with a hexagonal close-packed structure is locally realized. Volume fractions of NPs at 20% and 42% were obtained in agglomerates consisting of 2.9 nm and 8.2 nm diameter NPs, respectively. The high saturation magnetization of α-Fe NPs and high volume fraction of NPs in the agglomerate provide strong magnetic dipole-dipole interaction. The interaction energy of the agglomerate became much larger than the anisotropic energy of individual NPs. As a result, the blocking temperature of the 8.2 nm NP agglomerate was significantly enhanced from 52.2 K to around 500 K. (fast track communication)

  15. Strongly interacting matter under rotation

    Science.gov (United States)

    Jiang, Yin; Lin, Zi-Wei; Huang, Xu-Guang; Liao, Jinfeng

    2018-02-01

    The vorticity-driven effects are systematically studied in various aspects. With AMPT the distributions of vorticity has been investigated in heavy ion collisions with different collision parameters. Taking the rotational polarization effect into account a generic condensate suppression mechanism is discussed and quantitatively studied with NJL model. And in chiral restored phase the chiral vortical effects would generate a new collective mode, i.e. the chiral vortical wave. Using the rotating quark-gluon plasma in heavy ion collisions as a concrete example, we show the formation of induced flavor quadrupole in QGP and estimate the elliptic flow splitting effect for Λ baryons.

  16. Strongly interacting matter under rotation

    Directory of Open Access Journals (Sweden)

    Jiang Yin

    2018-01-01

    Full Text Available The vorticity-driven effects are systematically studied in various aspects. With AMPT the distributions of vorticity has been investigated in heavy ion collisions with different collision parameters. Taking the rotational polarization effect into account a generic condensate suppression mechanism is discussed and quantitatively studied with NJL model. And in chiral restored phase the chiral vortical effects would generate a new collective mode, i.e. the chiral vortical wave. Using the rotating quark-gluon plasma in heavy ion collisions as a concrete example, we show the formation of induced flavor quadrupole in QGP and estimate the elliptic flow splitting effect for Λ baryons.

  17. Strong interaction at finite temperature

    Indian Academy of Sciences (India)

    Saha Institute of Nuclear Physics, 1/AF, Bidhan Nagar, Kolkata 700 064, India. Abstract. We review two ... tem, from which its energy density, pressure etc. can be obtained. But to describe the heavy-ion ... quantity follows the same steps as for its vacuum counterpart, with the replacement of free vacuum propagators by free ...

  18. Strong interaction at finite temperature

    Indian Academy of Sciences (India)

    The first one is the general method of chiral perturbation theory, which may be readily applied to this problem. The other is the method of thermal QCD sum rules. We show that, when the spectral sides of the sum rules are calculated correctly, they do not lead to any new results, but reproduce those of the vacuum sum rules.

  19. Tuning the Selectivity of Catalytic Carbon Dioxide Hydrogenation over Iridium/Cerium Oxide Catalysts with a Strong Metal-Support Interaction.

    Science.gov (United States)

    Li, Siwei; Xu, Yao; Chen, Yifu; Li, Weizhen; Lin, Lili; Li, Mengzhu; Deng, Yuchen; Wang, Xiaoping; Ge, Binghui; Yang, Ce; Yao, Siyu; Xie, Jinglin; Li, Yongwang; Liu, Xi; Ma, Ding

    2017-08-28

    A one-step ligand-free method based on an adsorption-precipitation process was developed to fabricate iridium/cerium oxide (Ir/CeO 2 ) nanocatalysts. Ir species demonstrated a strong metal-support interaction (SMSI) with the CeO 2 substrate. The chemical state of Ir could be finely tuned by altering the loading of the metal. In the carbon dioxide (CO 2 ) hydrogenation reaction it was shown that the chemical state of Ir species-induced by a SMSI-has a major impact on the reaction selectivity. Direct evidence is provided indicating that a single-site catalyst is not a prerequisite for inhibition of methanation and sole production of carbon monoxide (CO) in CO 2 hydrogenation. Instead, modulation of the chemical state of metal species by a strong metal-support interaction is more important for regulation of the observed selectivity (metallic Ir particles select for methane while partially oxidized Ir species select for CO production). The study provides insight into heterogeneous catalysts at nano, sub-nano, and atomic scales. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Phonon linewidth due to electron-phonon interactions with strong forward scattering in FeSe thin films on oxide substrates

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yan [Univ. of Tennessee, Knoxville, TN (United States); Rademaker, Louk [Univ. of California, Santa Barbara, CA (United States); Dagotto, Elbio R. [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Johnston, Steven [Univ. of Tennessee, Knoxville, TN (United States)

    2017-08-18

    Here, the discovery of an enhanced superconducting transition temperature Tc in monolayers of FeSe grown on several oxide substrates has opened a new route to high-Tc superconductivity through interface engineering. One proposal for the origin of the observed enhancement is an electronphonon (e-ph) interaction across the interface that peaked at small momentum transfers. In this paper, we examine the implications of such a coupling on the phononic properties of the system. We show that a strong forward scattering leads to a sizable broadening of phonon lineshape, which may result in charge instabilities at long-wavelengths. However, we further find that the inclusion of Coulombic screening significantly reduces the phonon broadening. Our results show that one might not expect anomalously broad phonon linewidths in the FeSe interface systems, despite the fact that the e-ph interaction has a strong peak in the forward scattering (small \\bfq ) direction.