Directory of Open Access Journals (Sweden)
Trullàs J.
2011-05-01
Full Text Available Molecular dynamics simulations of molten NaI at 995 K have been carried out using polarizable ion models based on rigid ion pair potentials to which the anion induced dipole polarization is added. The polarization is added in such a way that point dipoles are induced on the anions by both local electric field and deformation short-range damping interactions that oppose the electrically induced dipole moments. The structure and self-diffusion results are compared with those obtained by Galamba and Costa Cabral using first principles Hellmann-Feynman molecular dynamics simulations and using classical molecular dynamics of a shell model which allows only the iodide polarization
Variation of the electronic dipole polarizability on the reaction path.
Jędrzejewski, Mateusz; Ordon, Piotr; Komorowski, Ludwik
2013-10-01
The reaction force and the electronic flux, first proposed by Toro-Labbé et al. (J Phys Chem A 103:4398, 1999) have been expressed by the existing conceptual DFT apparatus. The critical points (extremes) of the chemical potential, global hardness and softness have been identified by means of the existing and computable energy derivatives: the Hellman-Feynman force, nuclear reactivity and nuclear stiffness. Specific role of atoms at the reaction center has been unveiled by indicating an alternative method of calculation of the reaction force and the reaction electronic flux. The electron dipole polarizability on the IRC has been analyzed for the model reaction HF + CO→HCOF. The electron polarizability determined on the IRC α e (ξ) was found to be reasonably parallel to the global softness curve S(ξ). The softest state on the IRC (not TS) coincides with zero electronic flux.
Electric dipole polarizability: from few- to many-body systems
Directory of Open Access Journals (Sweden)
Miorelli Mirko
2016-01-01
Full Text Available We review the Lorentz integral transform coupled-cluster method for the calculation of the electric dipole polarizability. We benchmark our results with exact hyperspherical harmonics calculations for 4He and then we move to a heavier nucleus studying 16O. We observe that the implemented chiral nucleon-nucleon interaction at next-to-next-to-next-to-leading order underestimates the electric dipole polarizability.
Relativistic corrections to molecular dynamic dipole polarizabilities
DEFF Research Database (Denmark)
Kirpekar, Sheela; Oddershede, Jens; Jensen, Hans Jørgen Aagaard
1995-01-01
in the correlated calculations, as has also been observed for other properties. For SnH4 the correlation contribution and the pure relativistic correction are of the same order of magnitude, whereas for PbH 4 the relativistic correction becomes more important than the correlation contribution. We report estimated...... Cauchy moments, obtained from fitting the dispersion of the calculated corrections as a function of ω2. The frequency dependence of the nonrelativistic polarizability is most pronounced at the correlated level, mainly due to lower excitation energies in the multiconfigurational calculations than those...
Dipole (hyper)polarizabilities of neutral silver clusters
Jorge, Francisco E.; de Macedo, Luiz G. M.
2016-12-01
At the Douglas-Kroll-Hess (DKH) level, the B3PW91 functional along with the all-electron relativistic basis sets of valence triple and quadruple zeta qualities are used to determine the structure, stability, and electronic properties of the small silver clusters (Agn, n ⩽ 7). The results presented in this study are in good agreement with the experimental data and theoretical values obtained at a higher level of theory from the literature. Static polarizability and hyperpolarizability are also reported. It is verified that the mean dipole polarizability per atom exhibits an odd-even oscillation and that the polarizability anisotropy is directly related to the cluster shape. In this article, the first study of hyperpolarizabilities of small silver clusters is presented. Except for the monomer, the second hyperpolarizabilities of the silver clusters are significantly larger than those of the copper clusters. Project supported by CNPq, CAPES, and FAPES (Brazilian Agencies).
Time reversal violating nuclear polarizability and atomic electric dipole moment
International Nuclear Information System (INIS)
Ginges, J.S.M.; Flambaum, V.V.; Mititelu, G.
2000-01-01
Full text: We propose a nuclear mechanism which can induce an atomic electric dipole moment (EDM). The interaction of external electric E and magnetic H fields with nuclear electric and magnetic dipole moments, d and ,u, gives rise to an energy shift, U= -β ik E i H k , where β ik is the nuclear polarizability. Parity and time invariance violating (P,T-odd) nuclear forces generate a mixed P,T-odd nuclear polarizability, whereψ 0 and ψ n are P,T-odd perturbed ground and excited nuclear states, respectively. In the case of a heavy spherical nucleus with a single unpaired nucleon, the perturbed wavefunctions are U = -β ik E i H k , where ξis a constant proportional to the strength of the nuclear P,T-odd interaction, σ is the nuclear spin operator, and ψ n is an unperturbed wavefunction. There are both scalar and tensor contributions to the nuclear P,T-odd polarizability. An atomic EDM is induced by the interaction of the fields of an unpaired electron in an atom with the P,T-odd perturbed atomic nucleus. An estimate for the value of this EDM has been made. The measurements of atomic EDMs can provide information about P,T-odd nuclear forces and test models of CP-violation
Dynamic dipole polarizabilities of the Li atom and the Be+ ion
International Nuclear Information System (INIS)
Tang Liyan; Yan Zongchao; Shi Tingyun; Mitroy, J.
2010-01-01
The dynamic dipole polarizabilities for Li atoms and Be + ions in the 2 2 S and 2 2 P states are calculated using the variational method with a Hylleraas basis. The present polarizabilities represent the definitive values in the nonrelativistic limit. Corrections due to relativistic effects are also estimated. Analytic representations of the polarizabilities for frequency ranges encompassing the n=3 excitations are presented. The recommended polarizabilities for 7 Li and 9 Be + are 164.11±0.03 a 0 3 and 24.489±0.004 a 0 3 , respectively.
Electric dipole, polarizability and structure of cesium chloride clusters with one-excess electron
International Nuclear Information System (INIS)
Jraij, A.; Allouche, A.R.; Rabilloud, F.; Korek, M.; Aubert-Frecon, M.; Rayane, D.; Compagnon, I.; Antoine, R.; Broyer, M.; Dugourd, Ph.
2006-01-01
The measurement of the electric dipole of gas phase one-excess electron Cs n Cl n-1 clusters is reported together with a theoretical ab initio prediction of stable structures, dipole moments and electronic polarizabilities for these species in their ground state. Results are in agreement with NaCl cubic structures
Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation.
Caprasecca, Stefano; Jurinovich, Sandro; Viani, Lucas; Curutchet, Carles; Mennucci, Benedetta
2014-04-08
We present the mathematical derivation and the computational implementation of the analytical geometry derivatives for a polarizable QM/MM model (QM/MMPol). In the adopted QM/MMPol model, the focused part is treated at QM level of theory, while the remaining part (the environment) is described classically as a set of fixed charges and induced dipoles. The implementation is performed within the ONIOM procedure, resulting in a polarizable embedding scheme, which can be applied to solvated and embedded systems and combined with different polarizable force fields available in the literature. Two test cases characterized by strong hydrogen-bond and dipole-dipole interactions, respectively, are used to validate the method with respect to the nonpolarizable one. Finally, an application to geometry optimization of the chromophore of Rhodopsin is presented to investigate the impact of including mutual polarization between the QM and the classical parts in conjugated systems.
Exploring the Dipole Polarizability of $^{11}$Li at REX-ISOLDE
2002-01-01
Dipole polarizability refers to the effect of the excitation to negative parity states through the electric dipole interaction. In nuclear physics dipole polarizability has not yet played a major role. For nuclei close to the drip lines where the separation energies of neutrons (or protons) are small, a substantial part of the dipole strength function occurs at low excitation energies. We here propose to investigate this effect by measuring elastic scattering at energies close to the Coulomb barrier. REX-ISOLDE together with the new improved yields of $^{11}$Li provides the ideal setting for this experiment. We ask for a total of 24 shifts with proton beam plus 3 shifts of stable beam from a Ta-foil target.
Energy Technology Data Exchange (ETDEWEB)
Bhattacharya, A.; Talukdar, B. [Department of Physics, Visva-Bharati University, Santiniketan (India); Banerji, G. [Mathematics Department, BU, Burdwan (India); Roy, U. [Theoretical Physics Department, IACS, Calcutta (India)
1998-01-30
A differential equation approach to the perturbation theoretic correction for excited hydrogenic states is introduced. The radial equations for the problem are solved in terms of known transcendental functions and the method to determine the complete primitive is discussed. The constructed perturbative correction to the wavefunction is adapted to evaluate the dipole polarizability of hydrogenic atoms. (author)
Directory of Open Access Journals (Sweden)
D. Gambacurta
2018-02-01
Full Text Available The second random–phase–approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random–phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.
Gambacurta, D.; Grasso, M.; Vasseur, O.
2018-02-01
The second random-phase-approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random-phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.
International Nuclear Information System (INIS)
Krawczyk, Stanislaw; Jazurek, Beata; Luchowski, Rafal; Wiacek, Dariusz
2006-01-01
Electroabsorption spectra of all-trans, 13-cis and 15-cis isomers of carotenoids violaxanthin and β-carotene frozen in organic solvents were analysed in terms of changes in permanent dipole moment, Δμ, and in the linear polarizability, Δα, on electronic excitation. The spectral range investigated covered the two carotenoid absorption bands in the VIS and UV, known to originate from differently oriented transition dipole moments. In contrast with the collinearity of the apparent Δμ with Δα in the lowest-energy allowed (VIS) transition 1A g - ->1B u + , the axis of the largest polarizability change in the UV transition 1A g - ->1A g + (''cis band'') was found to make a large angle with the transition moment, while the direction of Δμ appears to be much closer to it. These data support the view that Δμ's inferred from electrochromic spectra of carotenoids are apparent and are not induced by the local matrix field in the solvent cavity, but merely result from conformational modulation of molecular polarizability
International Nuclear Information System (INIS)
Kharchenko, A.V.
1997-01-01
The anisotropy effect of the electric polarization (stretching) of the deuteron in the Coulomb field, caused by the tensor character of the nuclear force, is investigated. The values of the longitudinal (with the major axis, or the spin of the deuteron, directed along the electric field), and transverse components of the deuteron electric dipole polarizability that correspond to the low-energy n-p data, are predicted to be α parallel =0.669 fm 3 and α perpendicular to =0.555 fm 3 (the potential YYm). The values of the major and minor semi-axes of the deuteron are calculated. (orig.)
Nuclear dipole polarizability from mean-field modeling constrained by chiral effective field theory
Zhang, Zhen; Lim, Yeunhwan; Holt, Jeremy W.; Ko, Che Ming
2018-02-01
We construct a new Skyrme interaction Skχm* by fitting the equation of state and nucleon effective masses in asymmetric nuclear matter from chiral two- and three-body forces as well as the binding energies of finite nuclei. Employing this interaction to study the electric dipole polarizabilities of 48Ca, 68Ni, 120Sn, and 208Pb in the random-phase approximation, we find that the theoretical predictions are in good agreement with experimentally measured values without additional fine tuning of the Skyrme interaction, thus confirming the usefulness of the new Skyrme interaction in studying the properties of nuclei. We further use this interaction to study the neutron skin thicknesses of 48Ca and 208Pb, and they are found to be consistent with the experimental data.
Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters
Energy Technology Data Exchange (ETDEWEB)
Souza, Fabio A. L. de; Jorge, Francisco E., E-mail: jorge@cce.ufes.br [Departamento de Fisica, Universidade Federal do Espirito Santo, 29060-900 Vitoria-ES (Brazil)
2013-07-15
A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions augmented with diffuse functions for the atoms from H to Ar was constructed. A systematic study of basis sets required to obtain reliable and accurate values of static dipole polarizabilities of lithium and sodium clusters (n = 2, 4, 6 and 8) at their optimized equilibrium geometries is reported. Three methods are examined: Hartree-Fock (HF), second-order Moeller-Plesset perturbation theory (MP2), and density functional theory (DFT). By direct calculations or by fitting the directly calculated values through one extrapolation scheme, estimates of the HF, MP2 and DFT complete basis set limits were obtained. Comparison with experimental and theoretical data reported previously in the literature is done (author)
Exploration of dynamic dipole polarizability of impurity doped quantum dots in presence of noise
Ghosh, Anuja; Bera, Aindrila; Saha, Surajit; Arif, Sk. Md.; Ghosh, Manas
2018-02-01
Present study strives to perform a rigorous exploration of dynamic dipole polarizability (DDP) of GaAs quantum dot (QD) containing dopant with special reference to influence of Gaussian white noise. Several physical quantities have been varied over a range to observe the modulations of the DDP profiles. Aforesaid physical quantities include magnetic field, confinement potential, dopant location, dopant potential, noise strength, aluminium concentration (only for Alx Ga1 - x As alloy QD), position-dependent effective mass (PDEM), position-dependent dielectric screening function (PDDSF), anisotropy, hydrostatic pressure (HP) and temperature. The DDP profiles reveal noticeable characteristics governed by the particular physical quantity involved, presence/absence of noise, the manner (additive/multiplicative) noise is applied to the system and the incoming photon frequency. As a general observation we have found that additive noise causing greater deviation of the DDP profile from noise-free state than its multiplicative neighbor. The study highlights viable means of harnessing DDP of doped QD under the governance of noise by appropriate adjustment of several relevant factors. The study merits importance in the light of technological applications of QD-based devices where noise appears as an integral component.
Effect of dipole polarizability on positron binding by strongly polar molecules
International Nuclear Information System (INIS)
Gribakin, G F; Swann, A R
2015-01-01
A model for positron binding to polar molecules is considered by combining the dipole potential outside the molecule with a strongly repulsive core of a given radius. Using existing experimental data on binding energies leads to unphysically small core radii for all of the molecules studied. This suggests that electron–positron correlations neglected in the simple model play a large role in determining the binding energy. We account for these by including the polarization potential via perturbation theory and non-perturbatively. The perturbative model makes reliable predictions of binding energies for a range of polar organic molecules and hydrogen cyanide. The model also agrees with the linear dependence of the binding energies on the polarizability inferred from the experimental data (Danielson et al 2009 J. Phys. B: At. Mol. Opt. Phys. 42 235203). The effective core radii, however, remain unphysically small for most molecules. Treating molecular polarization non-perturbatively leads to physically meaningful core radii for all of the molecules studied and enables even more accurate predictions of binding energies to be made for nearly all of the molecules considered. (paper)
Gopakumar, Geetha; Abe, Minori; Hada, Masahiko; Kajita, Masatoshi
2014-06-01
Electronic open-shell ground-state properties of selected alkali-metal-alkaline-earth-metal polar molecules are investigated. We determine potential energy curves of the 2Σ+ ground state at the coupled-cluster singles and doubles with partial triples (CCSD(T)) level of electron correlation. Calculated spectroscopic constants for the isotopes (23Na, 39K, 85Rb)-(40Ca, 88Sr) are compared with available theoretical and experimental results. The variation of the permanent dipole moment (PDM), average dipole polarizability, and polarizability anisotropy with internuclear distance is determined using finite-field perturbation theory at the CCSD(T) level. Owing to moderate PDM (KCa: 1.67 D, RbCa: 1.75 D, KSr: 1.27 D, RbSr: 1.41 D) and large polarizability anisotropy (KCa: 566 a.u., RbCa: 604 a.u., KSr: 574 a.u., RbSr: 615 a.u.), KCa, RbCa, KSr, and RbSr are potential candidates for alignment and orientation in combined intense laser and external static electric fields.
DEFF Research Database (Denmark)
Sauer, Stephan P. A.; Paidarová, Ivana; Čársky, Petr
2016-01-01
that the polarizability tensor is necessary to correct long-range behavior of DFT functionals used in electron-molecule scattering calculations. The impact of such a long-range correction is demonstrated on elastic and vibrationally inelastic electron collisions with adamantane, a molecule representing a large polyatomic...
Czech Academy of Sciences Publication Activity Database
Sauer, S. P. A.; Paidarová, Ivana; Čársky, Petr; Čurík, Roman
2016-01-01
Roč. 70, č. 5 (2016), č. článku 105. ISSN 1434-6060 R&D Projects: GA MŠk LD14088 Grant - others:COST(XE) CM1301 Institutional support: RVO:61388955 Keywords : DENSITY-FUNCTIONAL-THEORY * COUPLED-CLUSTER CALCULATIONS * FREQUENCY-DEPENDENT POLARIZABILITIES Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.288, year: 2016
International Nuclear Information System (INIS)
Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.
2015-01-01
The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed
Energy Technology Data Exchange (ETDEWEB)
Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)
2015-01-22
The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.
Scattering properties of point dipole interactions
DEFF Research Database (Denmark)
Zolotaryuk, Alexander; Christiansen, Peter Leth; Iermakova, S.V.
2006-01-01
dipole interactions with a renormalized coupling constant are analysed. Depending on the parameter values, all these interactions being self-adjoint extensions of the one-dimensional Schrodinger operator are shown to be divided into four types: (i) interactions will full transparency, (ii) non...
Li, Cheng-Bin; Yu, Yan-Mei; Sahoo, B. K.
2018-02-01
Roles of electron correlation effects in the determination of attachment energies, magnetic-dipole hyperfine-structure constants, and electric-dipole (E 1 ) matrix elements of the low-lying states in the singly charged cadmium ion (Cd+) have been analyzed. We employ the singles and doubles approximated relativistic coupled-cluster (RCC) method to calculate these properties. Intermediate results from the Dirac-Hartree-Fock approximation,the second-order many-body perturbation theory, and considering only the linear terms of the RCC method are given to demonstrate propagation of electron correlation effects in this ion. Contributions from important RCC terms are also given to highlight the importance of various correlation effects in the evaluation of these properties. At the end, we also determine E 1 polarizabilities (αE 1) of the ground and 5 p 2P1 /2 ;3 /2 states of Cd+ in the ab initio approach. We estimate them again by replacing some of the E 1 matrix elements and energies from the measurements to reduce their uncertainties so that they can be used in the high-precision experiments of this ion.
Jensen, L; Astrand, PO; Mikkelsen, KV
An atomic dipole interaction model has been used for calculating the second hyperpolarizability of carbon nanotubes on a length scale up to 75 nm. It is demonstrated that an atomistic representation of mesoscale systems such as nanotubes can be used to obtain a cubic response property up to a size
Ghosh, Anuja; Ghosh, Manas
2018-01-01
Present work explores the profiles of polarizability (αp) and electric dipole moment (μ) of impurity doped GaAs quantum dot (QD) under the aegis of spatially-varying effective mass, spatially-varying dielectric constant and anisotropy of the system. Presence of noise has also been invoked to examine how its intervention further tunes αp and μ. Noise term maintains a Gaussian white feature and it has been incorporated to the system through two different roadways; additive and multiplicative. The various facets of influence of spatially-varying effective mass, spatially-varying dielectric constant and anisotropy on αp and μ depend quite delicately on presence/absence of noise and also on the mode through which noise has been administered. The outcomes of the study manifest viable routes to harness the dipole moment and polarizability of doped QD system through the interplay between noise, anisotropy and variable effective mass and dielectric constant of the system.
Energy Technology Data Exchange (ETDEWEB)
Gopakumar, Geetha, E-mail: geetha@tmu.ac.jp; Abe, Minori; Hada, Masahiko [Department of Chemistry, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachioji, Tokyo 192-0397 (Japan); JST, CREST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Kajita, Masatoshi [National Institute of Information and Communications Technology, Koganei, Tokyo 184-8795 (Japan)
2014-06-14
Electronic open-shell ground-state properties of selected alkali-metal–alkaline-earth-metal polar molecules are investigated. We determine potential energy curves of the {sup 2}Σ{sup +} ground state at the coupled-cluster singles and doubles with partial triples (CCSD(T)) level of electron correlation. Calculated spectroscopic constants for the isotopes ({sup 23}Na, {sup 39}K, {sup 85}Rb)–({sup 40}Ca, {sup 88}Sr) are compared with available theoretical and experimental results. The variation of the permanent dipole moment (PDM), average dipole polarizability, and polarizability anisotropy with internuclear distance is determined using finite-field perturbation theory at the CCSD(T) level. Owing to moderate PDM (KCa: 1.67 D, RbCa: 1.75 D, KSr: 1.27 D, RbSr: 1.41 D) and large polarizability anisotropy (KCa: 566 a.u., RbCa: 604 a.u., KSr: 574 a.u., RbSr: 615 a.u.), KCa, RbCa, KSr, and RbSr are potential candidates for alignment and orientation in combined intense laser and external static electric fields.
Elastic dipoles of point defects from atomistic simulations
Varvenne, Céline; Clouet, Emmanuel
2017-12-01
The interaction of point defects with an external stress field or with other structural defects is usually well described within continuum elasticity by the elastic dipole approximation. Extraction of the elastic dipoles from atomistic simulations is therefore a fundamental step to connect an atomistic description of the defect with continuum models. This can be done either by a fitting of the point-defect displacement field, by a summation of the Kanzaki forces, or by a linking equation to the residual stress. We perform here a detailed comparison of these different available methods to extract elastic dipoles, and show that they all lead to the same values when the supercell of the atomistic simulations is large enough and when the anharmonic region around the point defect is correctly handled. But, for small simulation cells compatible with ab initio calculations, only the definition through the residual stress appears tractable. The approach is illustrated by considering various point defects (vacancy, self-interstitial, and hydrogen solute atom) in zirconium, using both empirical potentials and ab initio calculations.
The Electromagnetic Zero-Point Field and the Flat Polarizable Vacuum Representation
Desiato, J T
2003-01-01
There are several interpretations of the Polarizable Vacuum (PV). One is the variable speed of light (VSL) approach, that has been shown to be isomorphic to General Relativity (GR) within experimental limits. However, another interpretation is representative of flat geometry, in which intervals of time and distance are measured in local inertial reference frames where the speed of light remains constant. The Flat PV approach leads to variable impedance transformations, governed by the spectral energy content of the Quantum Vacuum’s Electromagnetic (EM) Zero-Point Field (ZPF). The EM ZPF consists of photons. An unlimited number of photons may occupy the same quantum state at an arbitrary set of coordinates. Therefore, the spectral energy of the ZPF may be varied smoothly, represented by a superposition of EM waves with a large number of photons per cubic wavelength. Utilizing the Flat PV representation, a family of frequency dependent solutions of Poisson’s equation are derived, that may be applied as tool...
Static electric dipole polarizabilities of An5+/6+ and AnO2+/2+ (An = U, Np, and Pu) ions
International Nuclear Information System (INIS)
Parmar, Payal; Peterson, Kirk A.; Clark, Aurora E.
2014-01-01
The parallel components of static electric dipole polarizabilities have been calculated for the lowest lying spin-orbit states of the penta- and hexavalent oxidation states of the actinides (An) U, Np, and Pu, in both their atomic and molecular diyl ion forms (An 5+/6+ and AnO 2 +/2+ ) using the numerical finite-field technique within a four-component relativistic framework. The four-component Dirac-Hartree-Fock method formed the reference for MP2 and CCSD(T) calculations, while multireference Fock space coupled-cluster (FSCC), intermediate Hamiltonian Fock space coupled-cluster (IH-FSCC) and Kramers restricted configuration interaction (KRCI) methods were used to incorporate additional electron correlation. It is observed that electron correlation has significant (∼5 a.u. 3 ) impact upon the parallel component of the polarizabilities of the diyls. To the best of our knowledge, these quantities have not been previously reported and they can serve as reference values in the determination of various electronic and response properties (for example intermolecular forces, optical properties, etc.) relevant to the nuclear fuel cycle and material science applications. The highest quality numbers for the parallel components (α zz ) of the polarizability for the lowest Ω levels corresponding to the ground electronic states are (in a.u. 3 ) 44.15 and 41.17 for UO 2 + and UO 2 2+ , respectively, 45.64 and 41.42 for NpO 2 + and NpO 2 2+ , respectively, and 47.15 for the PuO 2 + ion
Aisha, G.; Shah, M.; Shahzada, Shaista; Haq, S. U.; Shakeel, H.; Nadeem, Ali
2018-04-01
We report term energies and effective quantum numbers of the odd-parity 4snf 1F3 Rydberg series of zinc from 75,480 to 75,750 cm-1 energy range. The experiment was performed using three dye lasers simultaneously pumped by the second (532 nm) and third (355 nm) harmonics of a Q-switched Nd-YAG laser in conjunction with an atomic beam set-up. The new observation include the 4snf 1F3 (20 ≤ n ≤ 50) series excited from the 4s4d 1D2 intermediate level. In addition, the dipole polarizability of the zinc core is determined as αd = 18.33 ± 0.95 ao3 using the core polarization model, which is in consistence with the earlier reported experimental and theoretical results.
Gould, Tim; Bučko, Tomáš
2016-08-09
Using time-dependent density functional theory (TDDFT) with exchange kernels, we calculate and test imaginary frequency-dependent dipole polarizabilities for all atoms and many ions in rows 1-6 of the periodic table. These are then integrated over frequency to produce C6 coefficients. Results are presented under different models: straight TDDFT calculations using two different kernels; "benchmark" TDDFT calculations corrected by more accurate quantum chemical and experimental data; and "benchmark" TDDFT with frozen orbital anions. Parametrizations are presented for 411+ atoms and ions, allowing results to be easily used by other researchers. A curious relationship, C6,XY ∝ [αX(0)αY(0)](0.73), is found between C6 coefficients and static polarizabilities α(0). The relationship C6,XY = 2C6,XC6,Y/[(αX/αY)C6,Y + (αY/αX)C6,X] is tested and found to work well (30% errors) in a small fraction of cases.
Bauer, Brad A.; Patel, Sandeep
2010-01-01
We present molecular dynamics simulations of the liquid-vapor interface of 1M salt solutions of nonpolarizable NaCl, NaBr, and NaI in polarizable transferable intermolecular potential 4-point with charge dependent polarizability water [B. A. Bauer et al., J. Chem. Theory Comput. 5, 359 (2009)]; this water model accommodates increased solvent polarizability (relative to the condensed phase) in the interfacial and vapor regions. We employ fixed-charge ion models developed in conjunction with the TIP4P-QDP water model to reproduce ab initio ion-water binding energies and ion-water distances for isolated ion-water pairs. The transferability of these ion models to the condensed phase was validated with hydration free energies computed using thermodynamic integration (TI) and appropriate energy corrections. Density profiles of Cl-, Br-, and I- exhibit charge layering in the interfacial region; anions and cation interfacial probabilities show marked localization, with the anions penetrating further toward the vapor than the cations. Importantly, in none of the cases studied do anions favor the outermost regions of the interface; there is always an aqueous region between the anions and vapor phase. Observed interfacial charge layering is independent of the strength of anion-cation interactions as manifest in anion-cation contact ion pair peaks and solvent separated ion pair peaks; by artificially modulating the strength of anion-cation interactions (independent of their interactions with solvent), we find little dependence on charge layering particularly for the larger iodide anion. The present results reiterate the widely held view of the importance of solvent and ion polarizability in mediating specific anion surface segregation effects. Moreover, due to the higher parametrized polarizability of the TIP4P-QDP condensed phase {1.31 Å3 for TIP4P-QDP versus 1.1 Å3 (TIP4P-FQ) and 0.87 Å3 (POL3) [Ponder and Case, Adv. Protein Chem. 66, 27 (2003)]} based on ab initio
Electromagnetic fields of ionospheric point dipoles in the earthionosphere waveguide
International Nuclear Information System (INIS)
Rybachek, S.T.
1985-01-01
This paper addresses the problem of excitation of the spherical earth-anisotropic ionosphere waveguide by ionospheric dipole sources. The solution obtained is based on a generalized reciprocity theorem which provides a relationship to the problem of finding electromagnetic fields in the ionosphere created by sources located in the waveguide. Some results of the calculations are presented
Evaluating excited state atomic polarizabilities of chromophores.
Heid, Esther; Hunt, Patricia A; Schröder, Christian
2018-03-28
Ground and excited state dipoles and polarizabilities of the chromophores N-methyl-6-oxyquinolinium betaine (MQ) and coumarin 153 (C153) in solution have been evaluated using time-dependent density functional theory (TD-DFT). A method for determining the atomic polarizabilities has been developed; the molecular dipole has been decomposed into atomic charge transfer and polarizability terms, and variation in the presence of an electric field has been used to evaluate atomic polarizabilities. On excitation, MQ undergoes very site-specific changes in polarizability while C153 shows significantly less variation. We also conclude that MQ cannot be adequately described by standard atomic polarizabilities based on atomic number and hybridization state. Changes in the molecular polarizability of MQ (on excitation) are not representative of the local site-specific changes in atomic polarizability, thus the overall molecular polarizability ratio does not provide a good approximation for local atom-specific polarizability changes on excitation. Accurate excited state force fields are needed for computer simulation of solvation dynamics. The chromophores considered in this study are often used as molecular probes. The methods and data reported here can be used for the construction of polarizable ground and excited state force fields. Atomic and molecular polarizabilities (ground and excited states) have been evaluated over a range of functionals and basis sets. Different mechanisms for including solvation effects have been examined; using a polarizable continuum model, explicit solvation and via sampling of clusters extracted from a MD simulation. A range of different solvents have also been considered.
Baucom, Jason; Transue, Thomas; Fuentes-Cabrera, Miguel; Krahn, Joseph; Darden, Thomas; Sagui, Celeste
2004-03-01
Molecular dynamics simulations of the DNA duplex d(CCAACGTTGG)2 were used to study the relationship between DNA sequence and structure. Three different force fields were used: a traditional description based on atomic point charges, a polarizable force field and an ``extra-point" force field (with additional charges on extra-nuclear sites). It is found that in crystal environment all the force fields reproduce fairly well the sequence-dependent features of the experimental structure. The polarizable force fields, however, outperforms the other two, pointing out to the need of the inclusion of polarization for accurate descriptions of DNA.
Parity nonconservation and nuclear polarizabilities
International Nuclear Information System (INIS)
Haxton, W.
1990-01-01
The hadronic weak interaction contributes to parity nonconserving observables in semileptonic interactions. Weak nuclear polarizabilities are frequently important in such interactions. Some of the interesting physics is illustrated by 18 F, a nucleus that provides an important constraint on the neutral weak hadronic current. One observable where the nuclear polarizability is expected to dominate is the nuclear anapole moment. The long-range pion contribution to this weak radiative correction is explored for both nucleons and nuclei. Similar polarizabilities that arise for time-reversal-odd hadronic interactions that conserve or violate parity are discussed in connection with atomic electric dipole moments. 20 refs., 4 figs
The static polarizability and second hyperpolarizability of fullerenes and carbon nanotubes
Jensen, L; Astrand, PO; Mikkelsen, KV
2004-01-01
Utilizing a point-dipole interaction model, we present an investigation of the static polarizability and second hyperpolarizability of fullerenes and carbon nanotubes by varying their structure. The following effects are investigated: (1) the length dependence of the components of the static
Computational analysis of electronic polarizabilities in Thomas ...
African Journals Online (AJOL)
The electric polarizability,α, of a molecule is a measure of its ability to respond to an electric field and acquire an electric dipole moment, μ. The electric polarizability, α has been calculated for several ions and atoms by obtaining the perturbation of wave functions by an external field from a numerical solution of differential ...
Applicability of point-dipoles approximation to all-dielectric metamaterials
DEFF Research Database (Denmark)
Kuznetsova, S. M.; Andryieuski, Andrei; Lavrinenko, Andrei
2015-01-01
All-dielectric metamaterials consisting of high-dielectric inclusions in a low-dielectric matrix are considered as a low-loss alternative to resonant metal-based metamaterials. In this paper we investigate the applicability of the point electric and magnetic dipoles approximation to dielectric meta......-atoms on the example of a dielectric ring metamaterial. Despite the large electrical size of high-dielectric meta-atoms, the dipole approximation allows for accurate prediction of the metamaterials properties for the rings with diameters up to approximate to 0.8 of the lattice constant. The results provide important...... guidelines for design and optimization of all-dielectric metamaterials....
Czech Academy of Sciences Publication Activity Database
Paidarová, Ivana; Sauer, S. P. A.
2005-01-01
Roč. 48, - (2005), s. 185-208 ISSN 0065-3276 R&D Projects: GA ČR GA203/04/2146; GA AV ČR 1ET400400410 Institutional research plan: CEZ:AV0Z40400503 Keywords : polarization propagator calculations * frequency-dependent polarizabilities * consistent-field calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.877, year: 2005
Derivation of Distributed Models of Atomic Polarizability for Molecular Simulations.
Soteras, Ignacio; Curutchet, Carles; Bidon-Chanal, Axel; Dehez, François; Ángyán, János G; Orozco, Modesto; Chipot, Christophe; Luque, F Javier
2007-11-01
The main thrust of this investigation is the development of models of distributed atomic polarizabilities for the treatment of induction effects in molecular mechanics simulations. The models are obtained within the framework of the induced dipole theory by fitting the induction energies computed via a fast but accurate MP2/Sadlej-adjusted perturbational approach in a grid of points surrounding the molecule. Particular care is paid in the examination of the atomic quantities obtained from models of implicitly and explicitly interacting polarizabilities. Appropriateness and accuracy of the distributed models are assessed by comparing the molecular polarizabilities recovered from the models and those obtained experimentally and from MP2/Sadlej calculations. The behavior of the models is further explored by computing the polarization energy for aromatic compounds in the context of cation-π interactions and for selected neutral compounds in a TIP3P aqueous environment. The present results suggest that the computational strategy described here constitutes a very effective tool for the development of distributed models of atomic polarizabilities and can be used in the generation of new polarizable force fields.
The Ice-Vapor Interface and the Melting Point of Ice I-h for the Polarizable POL3 Water Model
Czech Academy of Sciences Publication Activity Database
Muchová, E.; Gladich, Ivan; Picaud, S.; Hoang, P. N. M.; Roeselová, Martina
2011-01-01
Roč. 115, č. 23 (2011), s. 5973-5982 ISSN 1089-5639 R&D Projects: GA ČR(CZ) GAP208/10/1724; GA MŠk LC512; GA MŠk MEB020919; GA MŠk MEB020715 Institutional research plan: CEZ:AV0Z40550506 Keywords : polarizable water force field * ice surface * melting point * ice slab Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.946, year: 2011
Directed Energy Transfer in Films of CdSe Quantum Dots: Beyond the Point Dipole Approximation
DEFF Research Database (Denmark)
Zheng, Kaibo; Zídek, Karel; Abdellah, Mohamed
2014-01-01
Understanding of Förster resonance energy transfer (FRET) in thin films composed of quantum dots (QDs) is of fundamental and technological significance in optimal design of QD based optoelectronic devices. The separation between QDs in the densely packed films is usually smaller than the size...... of QDs, so that the simple point-dipole approximation, widely used in the conventional approach, can no longer offer quantitative description of the FRET dynamics in such systems. Here, we report the investigations of the FRET dynamics in densely packed films composed of multisized CdSe QDs using...
Electronic Energy Transfer in Polarizable Heterogeneous Environments
DEFF Research Database (Denmark)
Svendsen, Casper Steinmann; Kongsted, Jacob
2015-01-01
such couplings provide important insight into the strength of interaction between photo-active pigments in protein-pigment complexes. Recently, attention has been payed to how the environment modifies or even controls the electronic couplings. To enable such theoretical predictions, a fully polarizable embedding......-order multipole moments. We use this extended model to systematically examine three different ways of obtaining EET couplings in a heterogeneous medium ranging from use of the exact transition density to a point-dipole approximation. Several interesting observations are made including that explicit use...... of transition densities in the calculation of the electronic couplings - also when including the explicit environment contribution - can be replaced by a much simpler transition point charge description without comprising the quality of the model predictions....
Point interactions of the dipole type defined through a three-parametric power regularization
International Nuclear Information System (INIS)
Zolotaryuk, A V
2010-01-01
A family of point interactions of the dipole type is studied in one dimension using a regularization by rectangles in the form of a barrier and a well separated by a finite distance. The rectangles and the distance are parametrized by a squeezing parameter ε → 0 with three powers μ, ν and τ describing the squeezing rates for the barrier, the well and the distance, respectively. This parametrization allows us to construct a whole family of point potentials of the dipole type including some other point interactions, such as e.g. δ-potentials. Varying the power τ, it is possible to obtain in the zero-range limit the following two cases: (i) the limiting δ'-potential is opaque (the conventional result obtained earlier by some authors) or (ii) this potential admits a resonant tunneling (the opposite result obtained recently by other authors). The structure of resonances (if any) also depends on a regularizing sequence. The sets of the {μ, ν, τ}-space where a non-zero (resonant or non-resonant) transmission occurs are found. For all these cases in the zero-range limit the transfer matrix is shown to be with real parameters χ and g depending on a regularizing sequence. Those cases when χ ≠ 1 and g ≠ 0 mean that the corresponding δ'-potential is accompanied by an effective δ-potential.
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.
Woo Kim, Hyun; Rhee, Young Min
2012-07-30
Recently, many polarizable force fields have been devised to describe induction effects between molecules. In popular polarizable models based on induced dipole moments, atomic polarizabilities are the essential parameters and should be derived carefully. Here, we present a parameterization scheme for atomic polarizabilities using a minimization target function containing both molecular and atomic information. The main idea is to adopt reference data only from quantum chemical calculations, to perform atomic polarizability parameterizations even when relevant experimental data are scarce as in the case of electronically excited molecules. Specifically, our scheme assigns the atomic polarizabilities of any given molecule in such a way that its molecular polarizability tensor is well reproduced. We show that our scheme successfully works for various molecules in mimicking dipole responses not only in ground states but also in valence excited states. The electrostatic potential around a molecule with an externally perturbing nearby charge also exhibits a near-quantitative agreement with the reference data from quantum chemical calculations. The limitation of the model with isotropic atoms is also discussed to examine the scope of its applicability. Copyright © 2012 Wiley Periodicals, Inc.
Polarizable Density Embedding Coupled Cluster Method
DEFF Research Database (Denmark)
Hršak, Dalibor; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob
2018-01-01
by an embedding potential consisting of a set of fragment densities obtained from calculations on isolated fragments with a quantum-chemistry method such as Hartree-Fock (HF) or Kohn-Sham density functional theory (KS-DFT) and dressed with a set of atom-centered anisotropic dipole-dipole polarizabilities......). In the PDE-CC method, the smaller, but chemically important core region is described with a high-level CC method. The environment surrounding the core region can be separated into two levels of description: an inner and an outer region. The effect of the inner region on the core region is described......We present the theory and implementation of the polarizable density embedding (PDE) model in combination with coupled cluster (CC) theory (PDE-CC). This model has been implemented in the Dalton quantum chemistry program by adapting the CC code to the polarizable embedding library (PElib...
Chen, Yuntian; Zhang, Yan; Femius Koenderink, A
2017-09-04
We study semi-analytically the light emission and absorption properties of arbitrary stratified photonic structures with embedded two-dimensional magnetoelectric point scattering lattices, as used in recent plasmon-enhanced LEDs and solar cells. By employing dyadic Green's function for the layered structure in combination with the Ewald lattice summation to deal with the particle lattice, we develop an efficient method to study the coupling between planar 2D scattering lattices of plasmonic, or metamaterial point particles, coupled to layered structures. Using the 'array scanning method' we deal with localized sources. Firstly, we apply our method to light emission enhancement of dipole emitters in slab waveguides, mediated by plasmonic lattices. We benchmark the array scanning method against a reciprocity-based approach to find that the calculated radiative rate enhancement in k-space below the light cone shows excellent agreement. Secondly, we apply our method to study absorption-enhancement in thin-film solar cells mediated by periodic Ag nanoparticle arrays. Lastly, we study the emission distribution in k-space of a coupled waveguide-lattice system. In particular, we explore the dark mode excitation on the plasmonic lattice using the so-called array scanning method. Our method could be useful for simulating a broad range of complex nanophotonic structures, i.e., metasurfaces, plasmon-enhanced light emitting systems and photovoltaics.
Polarizabilities and hyperpolarizabilities of the alkali metal atoms
Energy Technology Data Exchange (ETDEWEB)
Fuentealba, P. (Chile Univ., Santiago (Chile). Departamento de Fisica and Centro de Mecanica Cuantica Aplicada (CMCA)); Reyes, O. (Chile Univ., Santiago (Chile). Dept. de Fisica)
1993-08-14
The electric static dipole polarizability [alpha], quadrupole polarizability C, dipole-quadrupole polarizability B, and the second dipole hyperpolarizability [gamma] have been calculated for the alkali metal atoms in the ground state. The results are based on a pseudopotential which is able to incorporate the very important core-valence correlation effect through a core polarization potential, and, in an empirical way, the main relativistic effects. The calculated properties compare very well with more elaborated calculations for the Li atom, excepting the second hyperpolarizability [gamma]. For the other atoms, there is neither theoretical nor experimental information about most of the higher polarizabilities. Hence, the results of this paper should be seen as a first attempt to give a complete account of the series expansion of the interaction energy of an alkali metal atom and a static electric field. (author).
Energy Technology Data Exchange (ETDEWEB)
Birkhan, Jonny Hubertus
2016-07-01
In this thesis, proton scattering data on the nucleus {sup 48}Ca at very forward angles had been analysed. The data stem from a measurement campaign which was launched at the Research Centre of Nuclear Physics at Osaka, Japan, in the past. One of the two objectives of this analysis was to extract a value for the static electric dipole polarisability from the isovector giant dipole resonance (IVGDR). The second objective was to extract the total electromagnetic M1 strength B(M1) of the spin-flip transition which excites the prominent 1{sup +} state at an excitation energy of E{sub x}=10.22 MeV. The polarisability was calculated from the distribution of photo-absorption cross sections within an energy range from E{sub x}=11 MeV to E{sub x}=26 MeV. The photo-absorption cross sections had been deduced from the distribution of E1 cross sections by the method of virtual photons. For this purpose the experimental cross sections had been deconvoluted by a multipole deconvolution into an E1 part and a background part. Then, the best estimate of the polarisability is given by α{sub D}=(1.36±0.14) fm{sup 3}. If a E3 model was included into the multipole decomposition of the (p,p') data the result increased up to α{sub D}=(1.50±0.09) fm{sup 3}. The deviation between these two results is mainly due to the fact that the multipole decomposition is very sensitive on the background function. Assuming that the the IVGDR of the nuclei {sup 48}Ca and {sup 40}Ca have approximately the same structure, estimates for the polarisability of the nucleus {sup 48}Ca could be drawn from {sup 40}Ca(γ,abs) data. Additionally, data from a {sup 48}Ca(e,e'n) measurement were used to estimate the polarisability of the nucleus {sup 48}Ca. Its polarisability seems to fall within the range of α{sub D}=(1.50±0.09) fm{sup 3} and α{sub D}=(1.69±0.03) fm{sup 3}. Beside this, it could be shown by the {sup 40}Ca data that a significant contribution to the polarisability has to be expected
Electromagnetic polarizabilities of hadrons
International Nuclear Information System (INIS)
Friar, J.L.
1988-01-01
Electromagnetic polarizabilities of hadrons are reviewed, after a discussion of classical analogues. Differences between relativistic and non-relativistic approaches can lead to conflicts with conventional nuclear physics sum rules and calculational techniques. The nucleon polarizabilities are discussed in the context of the non-relativistic valence quark model, which provides a good qualitative description. The recently measured pion polarizabilities are discussed in the context of chiral symmetry and quark-loop models. 58 refs., 5 figs
Interfacial Structural Transition in Hydration Shells of a Polarizable Solute.
Dinpajooh, Mohammadhasan; Matyushov, Dmitry V
2015-05-22
Electrostatics of polar solvation is typically described by harmonic free energy functionals. Polarizability contributes a negative polarization term that can make the harmonic free energy negative. The harmonic truncation fails in this regime. Simulations of polarizable ideal dipoles in water show that water's susceptibility passes through a maximum in the range of polarizabilities zeroing the harmonic term out. The microscopic origin of the nonmonotonic behavior is an interfacial structural transition involving the density collapse of the first hydration layer and enhanced number of dangling OH bonds.
Kwaadgras, B.W.; Verdult, M.; Dijkstra, M.; van Roij, R.H.H.G.
2011-01-01
We employ the coupled dipole method to calculate the polarizability tensor of various anisotropic dielectric clusters of polarizable atoms, such as cuboid-, bowl-, and dumbbell-shaped nanoparticles. Starting from a Hamiltonian of a many-atom system, we investigate how this tensor depends on the size
Dipole-dipole dispersion interactions between neutrons
Babb, James F.; Higa, Renato; Hussein, Mahir S.
2016-01-01
We investigate the long-range interactions between two neutrons utilizing recent data on the neutron static and dynamic electric and magnetic dipole polarizabilities. The resulting long-range potentials are used to make quantitative comparisons between the collisions of a neutron with a neutron and a neutron with a proton. We also assess the importance of the first pion production threshold and first excited state of the nucleon, the $\\Delta$-resonance ($J^{\\pi}$ = + 3/2, I = 3/2). We found b...
On the electric dipole moments of small sodium clusters from different theoretical approaches
Energy Technology Data Exchange (ETDEWEB)
Aguado, Andres, E-mail: aguado@metodos.fam.cie.uva.es [Departamento de Fisica Teorica, Atomica, y Optica, Universidad de Valladolid (Spain); Largo, Antonio, E-mail: alargo@qf.uva.es [Departamento de Quimica Fisica y Quimica Inorganica, Universidad de Valladolid (Spain); Vega, Andres, E-mail: vega@fta.uva.es [Departamento de Fisica Teorica, Atomica, y Optica, Universidad de Valladolid (Spain); Balbas, Luis Carlos, E-mail: balbas@fta.uva.es [Departamento de Fisica Teorica, Atomica, y Optica, Universidad de Valladolid (Spain)
2012-05-03
Graphical abstract: The dipole moments and polarizabilities of a few isomers of sodium clusters of selected sizes (n = 13, 14, 16) are calculated using density functional theory methods as well as ab initio MP2, CASSCF, and MR-CI methods. Among the density functional approaches, we consider the usual local density and generalized gradient approximations, as well as a recent van der Waals self-consistent functional accounting for non-local dispersion interactions. Highlights: Black-Right-Pointing-Pointer Dipole moment and polarizability of sodium clusters from DFT and ab initio methods. Black-Right-Pointing-Pointer New van der Waals selfconsistent implementation of non-local dispersion interactions. Black-Right-Pointing-Pointer New starting isomeric geometries from extensive search of global minimum structures. Black-Right-Pointing-Pointer Good agreement with recent experiments at cryogenic temperatures. - Abstract: The dipole moments of Na{sub n} clusters in the size range 10 < n < 20, recently measured at very low temperature (20 K), are much smaller than predicted by standard density functional methods. On the other hand, the calculated static dipole polarizabilities in that range of sizes deviate non-systematically from the measured ones, depending on the employed first principles approach. In this work we calculate the dipole moments and polarizabilities of a few isomers of Na{sub n} clusters of selected sizes (n = 13, 14, 16), obtained recently through an extensive unbiased search of the global minimum structures, and using density functional theory methods as well as ab initio MP2, CASSCF, and MR-CI methods. Among the density functional approaches, we consider the usual local density and generalized gradient approximations, as well as a recent van der Waals self-consistent functional accounting for non-local dispersion interactions. Both non-local pseudopotentials and all-electron implementations are employed and compared in order to assess the possible
Wang, Junmei; Cieplak, Piotr; Li, Jie; Hou, Tingjun; Luo, Ray; Duan, Yong
2011-03-31
In this work, four types of polarizable models have been developed for calculating interactions between atomic charges and induced point dipoles. These include the Applequist, Thole linear, Thole exponential model, and the Thole Tinker-like. The polarizability models have been optimized to reproduce the experimental static molecular polarizabilities obtained from the molecular refraction measurements on a set of 420 molecules reported by Bosque and Sales. We grouped the models into five sets depending on the interaction types, that is, whether the interactions of two atoms that form the bond, bond angle, and dihedral angle are turned off or scaled down. When 1-2 (bonded) and 1-3 (separated by two bonds) interactions are turned off, 1-4 (separated by three bonds) interactions are scaled down, or both, all models including the Applequist model achieved similar performance: the average percentage error (APE) ranges from 1.15 to 1.23%, and the average unsigned error (AUE) ranges from 0.143 to 0.158 Å(3). When the short-range 1-2, 1-3, and full 1-4 terms are taken into account (set D models), the APE ranges from 1.30 to 1.58% for the three Thole models, whereas the Applequist model (DA) has a significantly larger APE (3.82%). The AUE ranges from 0.166 to 0.196 Å(3) for the three Thole models, compared with 0.446 Å(3) for the Applequist model. Further assessment using the 70-molecule van Duijnen and Swart data set clearly showed that the developed models are both accurate and highly transferable and are in fact have smaller errors than the models developed using this particular data set (set E models). The fact that A, B, and C model sets are notably more accurate than both D and E model sets strongly suggests that the inclusion of 1-2 and 1-3 interactions reduces the transferability and accuracy.
International Nuclear Information System (INIS)
Masili, Mauro; Groote, J.J. de
2004-01-01
Using a model potential representation combined with a variationally stable method, we present a precise calculation of the electric dipole polarizabilities of the sodium negative ion (Na - ). The effective two-electron eigensolutions for Na - are obtained from a hyperspherical coupled-channel calculation. This approach allows efficient error control and insight into the system's properties through one-dimensional potential curves. Our result of 1018.3 a.u. for the static dipole polarizability is in agreement with previous calculations and supports our results for the dynamic polarizability, which has scarcely been investigated hitherto
Polarizability extraction of complementary metamaterial elements in waveguides for aperture modeling
Pulido-Mancera, Laura; Bowen, Patrick T.; Imani, Mohammadreza F.; Kundtz, Nathan; Smith, David
2017-12-01
We consider the design and modeling of metasurfaces that couple energy from guided waves to propagating wave fronts. To this purpose, we develop a comprehensive, multiscale dipolar interpretation for large arrays of complementary metamaterial elements embedded in a waveguide structure. Within this modeling technique, the detailed electromagnetic response of each metamaterial element is replaced by a polarizable dipole, described by means of an effective polarizability. In this paper, we present two methods to extract this effective polarizability. The first method invokes surface equivalence principles, averaging over the effective surface currents and charges induced in the element's surface in order to obtain the effective dipole moments, from which the effective polarizability can be inferred. The second method is based in the coupled-mode theory, from which a direct relationship between the effective polarizability and the amplitude coefficients of the scattered waves can be deduced. We demonstrate these methods on several variants of waveguide-fed metasurface elements (both one- and two-dimensional waveguides), finding excellent agreement between the two, as well as with the analytical expressions derived for circular and elliptical irises. With the effective polarizabilities of the metamaterial elements accurately determined, the radiated fields generated by a waveguide-fed metasurface can be found self-consistently by including the interactions between polarizable dipoles. The dipole description provides an effective perspective and computational framework for engineering metasurface structures such as holograms, lenses, and beam-forming arrays, among others.
Modeling molecular boiling points using computed interaction energies.
Peterangelo, Stephen C; Seybold, Paul G
2017-12-20
The noncovalent van der Waals interactions between molecules in liquids are typically described in textbooks as occurring between the total molecular dipoles (permanent, induced, or transient) of the molecules. This notion was tested by examining the boiling points of 67 halogenated hydrocarbon liquids using quantum chemically calculated molecular dipole moments, ionization potentials, and polarizabilities obtained from semi-empirical (AM1 and PM3) and ab initio Hartree-Fock [HF 6-31G(d), HF 6-311G(d,p)], and density functional theory [B3LYP/6-311G(d,p)] methods. The calculated interaction energies and an empirical measure of hydrogen bonding were employed to model the boiling points of the halocarbons. It was found that only terms related to London dispersion energies and hydrogen bonding proved significant in the regression analyses, and the performances of the models generally improved at higher levels of quantum chemical computation. An empirical estimate for the molecular polarizabilities was also tested, and the best models for the boiling points were obtained using either this empirical polarizability itself or the polarizabilities calculated at the B3LYP/6-311G(d,p) level, along with the hydrogen-bonding parameter. The results suggest that the cohesive forces are more appropriately described as resulting from highly localized interactions rather than interactions between the global molecular dipoles.
An averaged polarizable potential for multiscale modeling in phospholipid membranes
DEFF Research Database (Denmark)
Witzke, Sarah; List, Nanna Holmgaard; Olsen, Jógvan Magnus Haugaard
2017-01-01
is underlined for the description of larger assemblies of lipids, that is, membranes. In conclusion, we find that specially developed polarizable parameters are needed for embedding calculations in membranes, while common non-polarizable point-charge force fields usually perform well enough for structural...
A model with charges and polarizability for CS2 in an ionic liquid
Indian Academy of Sciences (India)
RUTH M LYNDEN-BELL
: CS2(C) and ring C1; red-dashed: CS2(S) and ring C1: .... The red curve shows the probability distribution of induced dipoles on the C site (which is purely axial as the polarizability is axial). The values of the C site dipole follow a Gaussian.
Charged pions polarizability measurement at COMPASS
Guskov, A
2010-01-01
The pion electromagnetic structure can be probed in $\\pi^{−}+(A,Z)\\rightarrow\\pi^{-}+(A,Z)+\\gamma$ Compton scattering in inverse kinematics (Primakoff reaction) and described by the electric $(\\alpha_{\\pi})$ and the magnetic $(\\beta_{\\pi})$ polarizabilities that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the differential cross section for scattering of point-like pions with the measured cross section. The opportunity to measure pion polarizability via the Primakoff reaction at the COMPASS experiment was studied with $a$ $\\pi^{-}$ beam of 190 GeV during pilot run 2004. The obtained results were used for preparation of the new data taking which was performed in 2009.
Quantum Gravitational Force Between Polarizable Objects
Ford, L. H.; Hertzberg, Mark P.; Karouby, J.
2016-04-01
Since general relativity is a consistent low energy effective field theory, it is possible to compute quantum corrections to classical forces. Here we compute a quantum correction to the gravitational potential between a pair of polarizable objects. We study two distant bodies and compute a quantum force from their induced quadrupole moments due to two-graviton exchange. The effect is in close analogy to the Casimir-Polder and London-van der Waals forces between a pair of atoms from their induced dipole moments due to two photon exchange. The new effect is computed from the shift in vacuum energy of metric fluctuations due to the polarizability of the objects. We compute the potential energy at arbitrary distances compared to the wavelengths in the system, including the far and near regimes. In the far distance, or retarded, regime, the potential energy takes on a particularly simple form: V (r )=-3987 ℏc G2α1 Sα2 S/(4 π r11) , where α1 S , α2 S are the static gravitational quadrupole polarizabilities of each object. We provide estimates of this effect.
Density Functional Studies of Molecular Polarizabilities. 10. Fulvenes and Fulvalenes
Directory of Open Access Journals (Sweden)
Humberto J. SoscÃƒÂºn Machado
2000-09-01
Full Text Available We report accurate Ab Initio Hartree Fock (HF and Density Functional Theory (DFT studies of the static dipole polarizabilities and first hyperpolarizabilities of the [n] fulvene and the [n,m] fulvalene series of molecules (with n, m = 3,5,7. Calculations are also reported for the parent cycloalkenes: cyclopropene, cyclopentadiene and cycloheptatriene (1-3 respectively. Geometries were optimized at the HF/6-311G(3d,2p level of theory. All the fulvenes (4-6 and the smaller fulvalenes (7, 9 and 10 are found to be planar. Pentaheptafulvalene (11 is slightly non-planar whilst heptafulvalene (12 has a folded C2h structure. Calculated C-C bond lengths are consistently smaller than the experimental values. Dipole polarizabilities and non-zero hyperpolarizabilities were calculated at the HF/6-311++G(3d,2p and BLYP/6-311++G(3d,2p levels of theory, using HF/6-311G(3d,2p geometries. Dipole polarizabilities correlate well with those given on the basis of atom additivity. Molecules (8, (9 and (11 show very large dipole hyperpolarizabilities.
Dipole-dipole dispersion interactions between neutrons
Energy Technology Data Exchange (ETDEWEB)
Babb, James F. [Harvard-Smithsonian Center for Astrophysics, ITAMP, Cambridge, MA (United States); Higa, Renato [Universidade de Sao Paulo, Instituto de Fisica, Sao Paulo (Brazil); Hussein, Mahir S. [Universidade de Sao Paulo, Instituto de Fisica, Sao Paulo (Brazil); Universidade de Sao Paulo, Instituto de Estudos Avancados, Sao Paulo (Brazil); Departamento de Fisica, Instituto Tecnologico de Aeronautica, CTA, Sao Jose dos Campos (Brazil)
2017-06-15
We investigate the long-range interactions between two neutrons utilizing recent data on the neutron static and dynamic electric and magnetic dipole polarizabilities. The resulting long-range potentials are used to make quantitative comparisons between the collisions of a neutron with a neutron and a neutron with a proton. We also assess the importance of the first pion production threshold and first excited state of the nucleon, the Δ-resonance (J{sup π} = +3/2, I = 3/2). We found both dynamical effects to be quite relevant for distances r between ∝ 50 fm up to ∝ 10{sup 3} fm in the nn system, the neutron-wall system and in the wall-neutron-wall system, reaching the expected asymptotic limit beyond that. Relevance of our findings to the confinement of ultra cold neutrons inside bottles is discussed. (orig.)
Ng, Albert H.
2011-01-24
To incorporate protein polarization effects within a protein combinatorial optimization framework, we decompose the polarizable force field AMOEBA into low order terms. Including terms up to the third-order provides a fair approximation to the full energy while maintaining tractability. We represent the polarizable packing problem for protein G as a hypergraph and solve for optimal rotamers with the FASTER combinatorial optimization algorithm. These approximate energy models can be improved to high accuracy [root mean square deviation (rmsd) < 1 kJ mol -1] via ridge regression. The resulting trained approximations are used to efficiently identify new, low-energy solutions. The approach is general and should allow combinatorial optimization of other many-body problems. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011 Copyright © 2011 Wiley Periodicals, Inc.
Kwaadgras, Bas W; Verdult, Maarten; Dijkstra, Marjolein; van Roij, René
2011-10-07
We employ the coupled dipole method to calculate the polarizability tensor of various anisotropic dielectric clusters of polarizable atoms, such as cuboid-, bowl-, and dumbbell-shaped nanoparticles. Starting from a Hamiltonian of a many-atom system, we investigate how this tensor depends on the size and shape of the cluster. We use the polarizability tensor to calculate the energy difference associated with turning a nanocluster from its least to its most favorable orientation in a homogeneous static electric field, and we determine the cluster dimension for which this energy difference exceeds the thermal energy such that particle alignment by the field is possible. Finally, we study in detail the (local) polarizability of a cubic-shaped cluster and present results indicating that, when retardation is ignored, a bulk polarizability cannot be reached by scaling up the system. © 2011 American Institute of Physics
Kwaadgras, Bas W.; Van Roij, René; Dijkstra, Marjolein
2014-01-01
When calculating the interaction between electric field-induced dipoles, the dipole moments are often taken to be equal to their polarizability multiplied by the external electric field. However, this approach is not exact, since it does not take into account the fact that particles with a dipole
Accounting for electronic polarization in non-polarizable force fields.
Leontyev, Igor; Stuchebrukhov, Alexei
2011-02-21
The issues of electronic polarizability in molecular dynamics simulations are discussed. We argue that the charges of ionized groups in proteins, and charges of ions in conventional non-polarizable force fields such as CHARMM, AMBER, GROMOS, etc should be scaled by a factor about 0.7. Our model explains why a neglect of electronic solvation energy, which typically amounts to about a half of total solvation energy, in non-polarizable simulations with un-scaled charges can produce a correct result; however, the correct solvation energy of ions does not guarantee the correctness of ion-ion pair interactions in many non-polarizable simulations. The inclusion of electronic screening for charged moieties is shown to result in significant changes in protein dynamics and can give rise to new qualitative results compared with the traditional non-polarizable force field simulations. The model also explains the striking difference between the value of water dipole μ∼ 3D reported in recent ab initio and experimental studies with the value μ(eff)∼ 2.3D typically used in the empirical potentials, such as TIP3P or SPC/E. It is shown that the effective dipole of water can be understood as a scaled value μ(eff) = μ/√ε(el), where ε(el) = 1.78 is the electronic (high-frequency) dielectric constant of water. This simple theoretical framework provides important insights into the nature of the effective parameters, which is crucial when the computational models of liquid water are used for simulations in different environments, such as proteins, or for interaction with solutes.
Theory and applications of atomic and ionic polarizabilities
International Nuclear Information System (INIS)
Mitroy, J; Safronova, M S; Clark, Charles W
2010-01-01
Atomic polarization phenomena impinge upon a number of areas and processes in physics. The dielectric constant and refractive index of any gas are examples of macroscopic properties that are largely determined by the dipole polarizability. When it comes to microscopic phenomena, the existence of alkaline-earth anions and the recently discovered ability of positrons to bind to many atoms are predominantly due to the polarization interaction. An imperfect knowledge of atomic polarizabilities is presently looming as the largest source of uncertainty in the new generation of optical frequency standards. Accurate polarizabilities for the group I and II atoms and ions of the periodic table have recently become available by a variety of techniques. These include refined many-body perturbation theory and coupled-cluster calculations sometimes combined with precise experimental data for selected transitions, microwave spectroscopy of Rydberg atoms and ions, refractive index measurements in microwave cavities, ab initio calculations of atomic structures using explicitly correlated wavefunctions, interferometry with atom beams and velocity changes of laser cooled atoms induced by an electric field. This review examines existing theoretical methods of determining atomic and ionic polarizabilities, and discusses their relevance to various applications with particular emphasis on cold-atom physics and the metrology of atomic frequency standards. (topical review)
Theory and applications of atomic and ionic polarizabilities
Energy Technology Data Exchange (ETDEWEB)
Mitroy, J [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Safronova, M S [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Clark, Charles W, E-mail: jxm107@rsphysse.anu.edu.a, E-mail: msafrono@udel.ed, E-mail: charles.clark@nist.go [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, MD 20899-8410 (United States)
2010-10-28
Atomic polarization phenomena impinge upon a number of areas and processes in physics. The dielectric constant and refractive index of any gas are examples of macroscopic properties that are largely determined by the dipole polarizability. When it comes to microscopic phenomena, the existence of alkaline-earth anions and the recently discovered ability of positrons to bind to many atoms are predominantly due to the polarization interaction. An imperfect knowledge of atomic polarizabilities is presently looming as the largest source of uncertainty in the new generation of optical frequency standards. Accurate polarizabilities for the group I and II atoms and ions of the periodic table have recently become available by a variety of techniques. These include refined many-body perturbation theory and coupled-cluster calculations sometimes combined with precise experimental data for selected transitions, microwave spectroscopy of Rydberg atoms and ions, refractive index measurements in microwave cavities, ab initio calculations of atomic structures using explicitly correlated wavefunctions, interferometry with atom beams and velocity changes of laser cooled atoms induced by an electric field. This review examines existing theoretical methods of determining atomic and ionic polarizabilities, and discusses their relevance to various applications with particular emphasis on cold-atom physics and the metrology of atomic frequency standards. (topical review)
Pion polarizabilities measurement at COMPASS
Guskov, Alexey
2008-01-01
The electromagnetic structure of pions is probed in $\\pi^{−}+(A,Z) \\rightarrow\\pi^{−}+(A,Z)+\\gamma$ Compton scattering in inverse kinematics (Primakoff reaction) and described by the electric ($\\bar{\\alpha_{\\pi}}$) and the magnetic ($\\bar{\\beta_{\\pi}}$) polarizabilities that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the differential cross section for scattering of pointlike pions with the measured cross section. The pion polarizability measurement was performed with a $\\pi^{-}$ beam of 190 GeV. The high beam intensity, the good spectrometer resolution, the high rate capability, the high acceptance and the possibility to use pion and muon beams, unique to the COMPASS experiment, provide the tools to measure precisely the pion polarizabilities in the Primakoff reaction.
Molecular Properties through Polarizable Embedding
DEFF Research Database (Denmark)
Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob
2011-01-01
We review the theory related to the calculation of electric and magnetic molecular properties through polarizable embedding. In particular, we derive the expressions for the response functions up to the level of cubic response within the density functional theory-based polarizable embedding (PE......-DFT) formalism. In addition, we discuss some illustrative applications related to the calculation of nuclear magnetic resonance parameters, nonlinear optical properties, and electronic excited states in solution....
Quadrupole polarizabilities of the pion in the Nambu-Jona-Lasinio model
International Nuclear Information System (INIS)
Hiller, B.; Broniowski, W.; Osipov, A.A.; Blin, A.H.
2009-01-01
The electromagnetic dipole and quadrupole polarizabilities of the neutral and charged pions are calculated in the Nambu-Jona-Lasinio model. Our results agree with the recent experimental analysis of these quantities based on dispersion sum rules. Comparison is made with the results from the chiral perturbation theory.
International Nuclear Information System (INIS)
Jiang, Jun; Mitroy, J.; Cheng, Yongjun; Bromley, M.W.J.
2015-01-01
Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C 6 , C 8 and C 10 atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations
Energy Technology Data Exchange (ETDEWEB)
Jiang, Jun, E-mail: phyjiang@yeah.net [Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Cheng, Yongjun, E-mail: cyj83mail@gmail.com [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Academy of Fundamental and Interdisciplinary Science, Harbin Institute of Technology, Harbin 150080 (China); Bromley, M.W.J., E-mail: brom@physics.uq.edu.au [School of Mathematics and Physics, The University of Queensland, Brisbane, Queensland 4075 (Australia)
2015-01-15
Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C{sub 6}, C{sub 8} and C{sub 10} atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations.
Pion polarizabilities measurement at COMPASS
Guskov, Alexey
2008-01-01
The electromagnetic structure of pions is probed in $\\pi^{−} + (A,Z)\\rightarrow\\pi^{−} + (A,Z) +\\gamma$ Compton scattering in inverse kinematics (Primakoff reaction) and described by the electric $(\\bar{\\alpha_{\\pi}})$ and the magnetic $(\\bar{\\beta_{\\pi}})$ polarizabilities that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the differential cross section for scattering of pointlike pions with the measured cross section. The pion polarizability measurement was performed with $a \\pi^{−}$ beam of 190 GeV. The high beam intensity, the good spectrometer resolution, the high rate capability, the high acceptance and the possibility to use pion and muon beams, unique to the COMPASS experiment, provide the tools to measure precisely the pion polarizabilities in the Primakoff reaction. The preliminary result for pion polarizabilities under the assumption of $\\bar{\\alpha_{\\pi}} + \\bar{\\beta_{\\pi}} =$ 0 is $\\ba...
Thole's interacting polarizability model in computational chemistry practice
deVries, AH; vanDuijnen, PT; Zijlstra, RWJ; Swart, M
Thole's interacting polarizability model to calculate molecular polarizabilities from interacting atomic polarizabilities is reviewed and its major applications in computational chemistry are illustrated. The applications include prediction of molecular polarizabilities, use in classical expressions
Open-ended response theory with polarizable embedding
DEFF Research Database (Denmark)
Steindal, Arnfinn Hykkerud; Beerepoot, Maarten T P; Ringholm, Magnus
2016-01-01
We present the theory and implementation of an open-ended framework for electric response properties at the level of Hartree-Fock and Kohn-Sham density functional theory that includes effects from the molecular environment modeled by the polarizable embedding (PE) model. With this new state......) properties can be studied by evaluating single residues of the response functions. The PE approach includes mutual polarization effects between the quantum and classical parts of the system through induced dipoles that are determined self-consistently with respect to the electronic density. The applicability...
On the magnetic polarizability tensor of US coinage
Davidson, John L.; Abdel-Rehim, Omar A.; Hu, Peipei; Marsh, Liam A.; O’Toole, Michael D.; Peyton, Anthony J.
2018-03-01
The magnetic dipole polarizability tensor of a metallic object gives unique information about the size, shape and electromagnetic properties of the object. In this paper, we present a novel method of coin characterization based on the spectroscopic response of the absolute tensor. The experimental measurements are validated using a combination of tests with a small set of bespoke coin surrogates and simulated data. The method is applied to an uncirculated set of US coins. Measured and simulated spectroscopic tensor responses of the coins show significant differences between different coin denominations. The presented results are encouraging as they strongly demonstrate the ability to characterize coins using an absolute tensor approach.
Gravitational polarizability of black holes
International Nuclear Information System (INIS)
Damour, Thibault; Lecian, Orchidea Maria
2009-01-01
The gravitational polarizability properties of black holes are compared and contrasted with their electromagnetic polarizability properties. The 'shape' or 'height' multipolar Love numbers h l of a black hole are defined and computed. They are then compared to their electromagnetic analogs h l EM . The Love numbers h l give the height of the lth multipolar 'tidal bulge' raised on the horizon of a black hole by faraway masses. We also discuss the shape of the tidal bulge raised by a test-mass m, in the limit where m gets very close to the horizon.
The possibility for a pion polarizability measurement at COMPASS
Guskov, A
2010-01-01
The pion electromagnetic structure can be probed in $\\pi^{−}+(A,Z)\\rightarrow\\pi^{-}+(A,Z) + \\gamma$ Compton scattering in inverse kinematics (Primakoff reaction) and described by the electric $(\\alpha_{\\pi})$ and the magnetic $(\\beta_{\\pi})$ polarizabilities that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the differential cross section for scattering of point-like pions with the measured cross section. The opportunity to measure pion polarizability via the Primakoff reaction at the COMPASS experiment was studied with a $\\pi^{−}$ beam of 190 GeV. The obtained results are used for preparation of the new measurement.
Event horizons in the Polarizable Vacuum Model
Desiato, J T
2003-01-01
The Polarizable Vacuum (PV) Model representation of General Relativity (GR) is used to show that an in-falling particle of matter will reach the central mass object in a finite amount of proper time, as measured along the world line of the particle, when using the PV Metric. It is shown that the in-falling particle passes through an event horizon, analogous to that found in the Schwarzschild solution of GR. Once it passes through this horizon, any light signal emitted outward by the in-falling particle will be moving slower than the in-falling particle, due to the reduced speed of light in this region. Therefore the signal can never escape this horizon. However, the light emitted by a stationary object below the horizon is exponentially red-shifted and can escape along the null geodesics, as was originally predicted by the PV Model. A static, non-rotating charge distribution is added to the central mass and the PV equivalent to the Reissner-Nordstrom metric is derived. It is illustrated that the dipole moment...
Finite dipole model for extreme near-field thermal radiation between a tip and planar SiC substrate
Jarzembski, Amun; Park, Keunhan
2017-04-01
Recent experimental studies have measured the infrared (IR) spectrum of tip-scattered near-field thermal radiation for a SiC substrate and observed up to a 50cm-1 redshift of the surface phonon polariton (SPhP) resonance peak [1,2]. However, the observed spectral redshift cannot be explained by the conventional near-field thermal radiation model based on the point dipole approximation. In the present work, a heated tip is modeled as randomly fluctuating point charges (or fluctuating finite dipoles) aligned along the primary axis of a prolate spheroid, and quasistatic tip-substrate charge interactions are considered to formulate the effective polarizability and self-interaction Green's function. The finite dipole model (FDM), combined with fluctuational electrodynamics, allows the computation of tip-plane thermal radiation in the extreme near-field (i.e., H / R ≲ 1 , where H is the tip-substrate gap distance and R is the tip radius), which cannot be calculated with the point dipole approximation. The FDM provides the underlying physics on the spectral redshift of tip-scattered near-field thermal radiation as observed in experiments. In addition, the SPhP peak in the near-field thermal radiation spectrum may split into two peaks as the gap distance decreases into the extreme near-field regime. This observation suggests that scattering-type spectroscopic measurements may not convey the full spectral features of tip-plane extreme near-field thermal radiation.
United polarizable multipole water model for molecular mechanics simulation
Energy Technology Data Exchange (ETDEWEB)
Qi, Rui; Wang, Qiantao; Ren, Pengyu, E-mail: pren@mail.utexas.edu [Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States); Wang, Lee-Ping; Pande, Vijay S. [Department of Chemistry, Stanford University, Stanford, California 94305 (United States)
2015-07-07
We report the development of a united AMOEBA (uAMOEBA) polarizable water model, which is computationally 3–5 times more efficient than the three-site AMOEBA03 model in molecular dynamics simulations while providing comparable accuracy for gas-phase and liquid properties. In this coarse-grained polarizable water model, both electrostatic (permanent and induced) and van der Waals representations have been reduced to a single site located at the oxygen atom. The permanent charge distribution is described via the molecular dipole and quadrupole moments and the many-body polarization via an isotropic molecular polarizability, all located at the oxygen center. Similarly, a single van der Waals interaction site is used for each water molecule. Hydrogen atoms are retained only for the purpose of defining local frames for the molecular multipole moments and intramolecular vibrational modes. The parameters have been derived based on a combination of ab initio quantum mechanical and experimental data set containing gas-phase cluster structures and energies, and liquid thermodynamic properties. For validation, additional properties including dimer interaction energy, liquid structures, self-diffusion coefficient, and shear viscosity have been evaluated. The results demonstrate good transferability from the gas to the liquid phase over a wide range of temperatures, and from nonpolar to polar environments, due to the presence of molecular polarizability. The water coordination, hydrogen-bonding structure, and dynamic properties given by uAMOEBA are similar to those derived from the all-atom AMOEBA03 model and experiments. Thus, the current model is an accurate and efficient alternative for modeling water.
Comparison of self-consistent calculations of the static polarizability of atoms and molecules
International Nuclear Information System (INIS)
Moullet, I.; Martins, J.L.
1990-01-01
The static dipole polarizabilities and other ground-state properties of H, H 2 , He, Na, and Na 2 are calculated using five different self-consistent schemes: Hartree--Fock, local spin density approximation, Hartree--Fock plus local density correlation, self-interaction-corrected local spin density approximation, and Hartree--Fock plus self-interaction-corrected local density correlation. The inclusion of the self-interaction corrected local spin density approximation in the Hartree--Fock method improves dramatically the calculated dissociation energies of molecules but has a small effect on the calculated polarizabilities. Correcting the local spin density calculations for self-interaction effects improves the calculated polarizability in the cases where the local spin density results are mediocre, and has only a small effect in the cases where the local spin density values are in reasonable agreement with experiment
Pion Polarizability Status Report (2017)
Moinester, Murray
2017-01-01
The electric ${\\alpha}_{\\pi}$ and magnetic $\\beta_{\\pi}$ charged pion Compton polarizabilities are of fundamental interest in the low-energy sector of quantum chromodynamics (QCD).They are directly linked to the phenomenon of spontaneously broken chiral symmetry within QCD and to the dynamics of the pion-photon interaction.The combination (${\\alpha}_{\\pi}-\\beta_{\\pi}$) was measured by:(1) CERN COMPASS via radiative pion Primakoff scattering (Bremsstrahlung) in the nuclear Coulomb field, ${\\pi...
Wansbeek, L. W.; Sahoo, B. K.; Timmermans, R. G. E.; Das, B. P.; Mukherjee, D.
We report on a technique to determine the van der Waals coefficients of lithium (Li) atoms based on relativistic coupled-cluster theory. These quantities are determined using the imaginary parts of the scalar dipole and quadrupole polarizabilities, which are evaluated using an approach that we have
Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.
2017-04-01
The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars ( d-allose and d-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars d-allose and d-psicose, thereby extending the available biomolecules in the Drude polarizable FF.
Maximilien Brice
2004-01-01
The ALICE cavern receives a painting made specially to mark the 50th anniversary of CERN that is mounted on the L3 solenoid magnet, reused from the LEP experiment that ran from 1989 to 2000. The dipole, which is cooled by demineralised water, will bend the path of muons that leave the huge rectangular solenoid. These muons are heavy electrons that interact less with matter allowing them to be studied at large distances from the interaction point.
Statistical field theory description of inhomogeneous polarizable soft matter.
Martin, Jonathan M; Li, Wei; Delaney, Kris T; Fredrickson, Glenn H
2016-10-21
We present a new molecularly informed statistical field theory model of inhomogeneous polarizable soft matter. The model is based on fluid elements, referred to as beads, that can carry a net monopole of charge at their center of mass and a fixed or induced dipole through a Drude-type distributed charge approach. The beads are thus polarizable and naturally manifest attractive van der Waals interactions. Beyond electrostatic interactions, beads can be given soft repulsions to sustain fluid phases at arbitrary densities. Beads of different types can be mixed or linked into polymers with arbitrary chain models and sequences of charged and uncharged beads. By such an approach, it is possible to construct models suitable for describing a vast range of soft-matter systems including electrolyte and polyelectrolyte solutions, ionic liquids, polymerized ionic liquids, polymer blends, ionomers, and block copolymers, among others. These bead models can be constructed in virtually any ensemble and converted to complex-valued statistical field theories by Hubbard-Stratonovich transforms. One of the fields entering the resulting theories is a fluctuating electrostatic potential; other fields are necessary to decouple non-electrostatic interactions. We elucidate the structure of these field theories, their consistency with macroscopic electrostatic theory in the absence and presence of external electric fields, and the way in which they embed van der Waals interactions and non-uniform dielectric properties. Their suitability as a framework for computational studies of heterogeneous soft matter systems using field-theoretic simulation techniques is discussed.
International Nuclear Information System (INIS)
Davari, Nazanin; Haghdani, Shokouh; Åstrand, Per-Olof
2015-01-01
A force field model for calculating local field factors, i.e. the linear response of the local electric field for example at a nucleus in a molecule with respect to an applied electric field, is discussed. It is based on a combined charge-transfer and point-dipole interaction model for the polarizability, and thereby it includes two physically distinct terms for describing electronic polarization: changes in atomic charges arising from transfer of charge between the atoms and atomic induced dipole moments. A time dependence is included both for the atomic charges and the atomic dipole moments and if they are assumed to oscillate with the same frequency as the applied electric field, a model for frequency-dependent properties are obtained. Furthermore, if a life-time of excited states are included, a model for the complex frequency-dependent polariability is obtained including also information about excited states and the absorption spectrum. We thus present a model for the frequency-dependent local field factors through the first molecular excitation energy. It is combined with molecular dynamics simulations of liquids where a large set of configurations are sampled and for which local field factors are calculated. We are normally not interested in the average of the local field factor but rather in configurations where it is as high as possible. In electrical insulation, we would like to avoid high local field factors to reduce the risk for electrical breakdown, whereas for example in surface-enhanced Raman spectroscopy, high local field factors are desired to give dramatically increased intensities
Classification of Simple Oxides: A Polarizability Approach
Dimitrov, Vesselin; Komatsu, Takayuki
2002-01-01
A simple oxide classification has been proposed on the basis of correlation between electronic polarizabilities of the ions and their binding energies determined by XPS. Three groups of oxides have been considered taking into account the values obtained on refractive-index- or energy-gap-based oxide ion polarizability, cation polarizability, optical basicity, O 1s binding energy, metal (or nonmetal) binding energy, and Yamashita-Kurosawa's interaction parameter of the oxides. The group of semicovalent predominantly acidic oxides includes BeO, B2O3, P2O5, SiO2, Al2O3, GeO2, and Ga2O3 with low oxide ion polarizability, high O 1s binding energy, low cation polarizability, high metal (or nonmetal) outermost binding energy, comparatively low optical basicity, and strong interionic interaction, leading to the formation of strong covalent bonds. Some main group oxides so-called ionic or basic such as CaO, In2O3, SnO2, and TeO2 and most transition metal oxides show relatively high oxide ion polarizability, O 1s binding energy in a very narrow medium range, high cation polarizability, and low metal (or nonmetal) binding energy. Their optical basicity varies in a narrow range and it is close to that of CaO. The group of very ionic or very basic oxides includes CdO, SrO, and BaO as well as PbO, Sb2O3, and Bi2O3, which possess very high oxide ion polarizability, low O 1s binding energy, very high cation polarizability, and very low metal (or nonmetal) binding energy. Their optical basicity is higher than that of CaO and the interionic interaction is very weak, giving rise to the formation of very ionic chemical bonds.
A Green's function approach to giant-dipole systems
Stielow, Thomas; Scheel, Stefan; Kurz, Markus
2018-01-01
In this work we perform a Green’s function analysis of giant-dipole systems. First, we derive the Green’s functions of different magnetically field-dressed systems, in particular of electronically highly excited atomic species in crossed electric and magnetic fields—so-called giant-dipole states. We determine the dynamical polarizability of atomic giant-dipole states as well as the adiabatic potential energy surfaces of giant-dipole molecules in the framework of the Green’s function approach. Furthermore, we perform an comparative analysis of the latter to an exact diagonalization scheme and show the general divergence behavior of the widely applied Fermi-pseudopotential approach. Finally, we derive the giant-dipole’s regularized Green’s function representation.
Excited States in Solution through Polarizable Embedding
DEFF Research Database (Denmark)
Olsen, Jógvan Magnus; Aidas, Kestutis; Kongsted, Jacob
2010-01-01
We present theory and implementation of an advanced quantum mechanics/molecular mechanics (QM/MM) approach using a fully self-consistent polarizable embedding (PE) scheme. It is a polarizable layered model designed for effective yet accurate inclusion of an anisotropic medium in a quantum...... a nonequilibrium formulation of the environmental response. In our formulation of polarizable embedding we explicitly take into account the full self-consistent many-body environmental response from both ground and excited states. The PE-DFT method can be applied to any molecular system, e.g., proteins...
International Nuclear Information System (INIS)
Johnson, W. R.; Safronova, U. I.; Derevianko, A.; Safronova, M. S.
2008-01-01
The excitation energies of ns, np, nd, and nf (n≤6) states in neutral lithium are evaluated within the framework of relativistic many-body theory. First-, second-, third-, and all-order Coulomb energies and first- and second-order Breit corrections to energies are calculated. All-order calculations of reduced matrix elements, oscillator strengths, transition rates, and lifetimes are given for levels up to n=4. Electric-dipole (2s-np), electric-quadrupole (2s-nd), and electric-octupole (2s-nf), matrix elements are evaluated to obtain the corresponding ground-state multipole polarizabilities using the sum-over-states approach. Scalar and tensor polarizabilities for the 2p 1/2 and 2p 3/2 states are also calculated. Magnetic-dipole hyperfine constants A are determined for low-lying levels up to n=4. The quadratic Stark shift for the (F=2 M=0)↔(F=1 M=0) ground-state hyperfine transition is found to be -0.0582 Hz/(kV/cm) 2 , in slight disagreement with the experimental value -0.061±0.002 Hz/(kV/cm) 2 . Matrix elements used in evaluating polarizabilities, hyperfine constants, and the quadratic Stark shift are obtained using the all-order method
The multi-configuration self-consistent field method within a polarizable embedded framework
Hedegârd, Erik Donovan; List, Nanna H.; Jensen, Hans Jørgen Aagaard; Kongsted, Jacob
2013-07-01
We present a detailed derivation of Multi-Configuration Self-Consistent Field (MCSCF) optimization and linear response equations within the polarizable embedding scheme: PE-MCSCF. The MCSCF model enables a proper description of multiconfigurational effects in reaction paths, spin systems, excited states, and other properties which cannot be described adequately with current implementations of polarizable embedding in density functional or coupled cluster theories. In the PE-MCSCF scheme the environment surrounding the central quantum mechanical system is represented by distributed multipole moments and anisotropic dipole-dipole polarizabilities. The PE-MCSCF model has been implemented in DALTON. As a preliminary application, the low lying valence states of acetone and uracil in water has been calculated using Complete Active Space Self-Consistent Field (CASSCF) wave functions. The dynamics of the water environment have been simulated using a series of snapshots generated from classical Molecular Dynamics. The calculated shifts from gas-phase to water display between good and excellent correlation with experiment and previous calculations. As an illustration of another area of potential applications we present calculations of electronic transitions in the transition metal complex, [Fe(NO)(CN)5]2 - in a micro-solvated environment. This system is highly multiconfigurational and the influence of solvation is significant.
Lin, Fang-Yu; MacKerell, Alexander D
2018-02-13
The quality of the force field is crucial to ensure the accuracy of simulations used in molecular modeling, including computer-aided drug design (CADD). To perform more accurate modeling and simulations of halogenated molecules, in this study the polarizable force field based on the classical Drude oscillator model was extended to both aliphatic and aromatic systems using halogenated ethane and benzene model compounds for the halogens F, Cl, Br, and I. The force field parameters were optimized targeting quantum mechanical dipole moments, water interactions, and molecular polarizabilities as well as experimental observables, including enthalpies of vaporization, molecular volumes, hydration free energies, and dielectric constants. The developed halogenated polarizable force field is capable of reproducing QM relative energies and geometries of both halogen bonds and halogen-hydrogen bond donor interactions at an unprecedented level due to the inclusion of a virtual particle and anisotropic atomic polarizability on the halogen and, notably, the inclusion of Lennard-Jones parameters on the halogen Drude particle. The model was validated on the basis of its ability to accurately reproduce pure solvent properties for halogenated naphthalenes and alkanes, including species analogous to those used as refrigerants. Accordingly, it is anticipated that the model will be applicable for the study of halogenated derivatives in CADD as well as in other chemical and biophysical studies.
Dipole-dipole interaction in cavity QED: The weak-coupling, nondegenerate regime
Donaire, M.; Muñoz-Castañeda, J. M.; Nieto, L. M.
2017-10-01
We compute the energies of the interaction between two atoms placed in the middle of a perfectly reflecting planar cavity, in the weak-coupling nondegenerate regime. Both inhibition and enhancement of the interactions can be obtained by varying the size of the cavity. We derive exact expressions for the dyadic Green's function of the cavity field which mediates the interactions and apply time-dependent quantum perturbation theory in the adiabatic approximation. We provide explicit expressions for the van der Waals potentials of two polarizable atomic dipoles and the electrostatic potential of two induced dipoles. We compute the van der Waals potentials in three different scenarios: two atoms in their ground states, two atoms excited, and two dissimilar atoms with one of them excited. In addition, we calculate the phase-shift rate of the two-atom wave function in each case. The effect of the two-dimensional confinement of the electromagnetic field on the dipole-dipole interactions is analyzed. This effect depends on the atomic polarization. For dipole moments oriented parallel to the cavity plates, both the electrostatic and the van der Waals interactions are exponentially suppressed for values of the cavity width much less than the interatomic distance, whereas for values of the width close to the interatomic distance, the strength of both interactions is higher than their values in the absence of cavity. For dipole moments perpendicular to the plates, the strength of the van der Waals interaction decreases for values of the cavity width close to the interatomic distance, while it increases for values of the width much less than the interatomic distance with respect to its strength in the absence of cavity. We illustrate these effects by computing the dipole-dipole interactions between two alkali atoms in circular Rydberg states.
Polarizability of Kr6+ from high-L Kr5+ fine-structure measurements
International Nuclear Information System (INIS)
Lundeen, S. R.; Fehrenbach, C. W.
2007-01-01
The transition between n=55 and n=109 Rydberg levels of Kr 5+ has been studied at high resolution using the resonant excitation stark ionization spectroscopy method. Resolved excitation of L=6, 7, 8, and 9 levels in n=55 lead to a determination of the fine-structure energies of these levels. Interpreted with the long-range polarization model, this leads to a measurement of the dipole polarizabilities of Zn-like Kr 6+ , α d =2.69(4)a 0 3 . Obtaining a value of the quadrupole polarizability from the data will require additional theoretical input. Factors contributing to the signal and noise levels in measurements of this type are discussed
Solvents level dipole moments.
Liang, Wenkel; Li, Xiaosong; Dalton, Larry R; Robinson, Bruce H; Eichinger, Bruce E
2011-11-03
The dipole moments of highly polar molecules measured in solution are usually smaller than the molecular dipole moments that are calculated with reaction field methods, whereas vacuum values are routinely calculated in good agreement with available vapor phase data. Whether from Onsager's theory (or variations thereof) or from quantum mechanical methods, the calculated molecular dipoles in solution are found to be larger than those measured. The reason, of course, is that experiments measure the net dipole moment of solute together with the polarized (perturbed) solvent "cloud" surrounding it. Here we show that the reaction field charges that are generated in the quantum mechanical self-consistent reaction field (SCRF) method give a good estimate of the net dipole moment of the solute molecule together with the moment arising from the reaction field charges. This net dipole is a better description of experimental data than the vacuum dipole moment and certainly better than the bare dipole moment of the polarized solute molecule.
Pion and kaon polarizabilities in the quark confinement model
International Nuclear Information System (INIS)
Ivanov, M.A.; Mizutani, T.
1992-01-01
The quark confinement model (QCM) which is based on quark confinement and the composite nature of hadrons, is applied to the study of electromagnetic polarizabilities of the π and K mesons. The Compton scattering amplitude for pseudoscalar meson in the QCM obtains contributions from the following processes (or diagrams): (1) the photon scattering by a point charge, (2) diagrams which involve only one quark loop, (3) the scalar, vector, and axial meson exchanges. The presence of quark loops in QCM diagrams introduces nontrivial momentum dependences which do not exist in the effective Lagrangian scheme with only meson degrees of freedom
DEFF Research Database (Denmark)
Dalskov, Erik K.; Sauer, Stephan P. A.
1998-01-01
with coupled cluster singles and doubles amplitudes, SOPPA(CCSD), and the coupled cluster singles and doubles linear response function method, CCSDLR. The frequency dependence of the polarizabilities is given in terms of the dipole oscillator strength sum rules or Cauchy moments S(-4) and S(-6). Two basis sets...... were employed, Sadlej's medium size polarized basis set and Dunning's correlation consistent basis set of triple- quality augmented by two diffuse functions of each angular momentum (daug-cc-pVTZ). The results are compared to other theoretical results as well as to experimental values for the static...
Measurement of the pion polarizabilities at COMPASS
Guskov, A V
2006-01-01
The electromagnetic structure of pions is probed in $\\pi\\gamma$ Compton scattering in inverse kinematics (Primakoff effect) and described by the electric ($\\alpha_{\\pi}$) and magnetic ($\\beta_{\\pi}$) polarizabilities, that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the theoretically predicted (under approximation of unstructured pion) cross section of Primakoff scattering and the measured cross section. The high beam intensity, good spectrometer resolution, the high rate capability, the high acceptance and possibility to use pion and muon beams, that are unique to the COMPASS experiment provide the tools to measure precisely the pion polarizabilities in the $\\pi^{-} + (A,Z)\\rightarrow\\pi^{-} + (A,Z) + \\gamma$ Primakoff reaction. This cross section is related to the cross section of Compton scattering on pion. A precise tracking system, electromagnetic and hadron calorimeters provide good conditions for...
K$_{-}$ and K$_{-}$ polarizability from kaonic atoms
Backenstoss, Gerhard; Bergström, I; Bunaciu, T; Egger, J; Hagelberg, R; Hultberg, S; Koch, H; Lynen, Y; Ritter, H G; Schwitter, A; Tauscher, L
1973-01-01
The K/sup -/ mass was determined from kaonic atomic X-rays from Au and Ba to be 493.691+or-0.040 MeV. An upper limit for the polarizability of the K/sup -/ was found to be 0.020 fm/sup 3/ at 90% confidence. (18 refs).
The axial polarizability of nucleons and nuclei
International Nuclear Information System (INIS)
Ericson, M.; Figureau, A.
1981-02-01
The part of the static nuclear axial polarizability arising from the nucleonic excitations is derived from the low energy expansion of the πN amplitude. It is shown that the contribution of the Δ intermediate state, though dominant, does not saturate the nucleonic response. A similar effect, though more pronounced, is known to occur for the magnetic susceptibility
Chu, Huiying; Peng, Xiangda; Li, Yan; Zhang, Yuebin; Li, Guohui
2017-12-31
In all of the classical force fields, electrostatic interaction is simply treated and explicit electronic polarizability is neglected. The condensed-phase polarization, relative to the gas-phase charge distributions, is commonly accounted for in an average way by increasing the atomic charges, which remain fixed throughout simulations. Based on the lipid polarizable force field DMPC and following the same framework as Atomic Multipole Optimized Energetics for BiomoleculAr (AMOEBA) simulation, the present effort expands the force field to new anionic lipid models, in which the new lipids contain DMPG and POPS. The parameters are compatible with the AMOEBA force field, which includes water, ions, proteins, etc. The charge distribution of each atom is represented by the permanent atomic monopole, dipole and quadrupole moments, which are derived from the ab initio gas phase calculations. Many-body polarization including the inter- and intramolecular polarization is modeled in a consistent manner with distributed atomic polarizabilities. Molecular dynamics simulations of the two aqueous DMPG and POPS membrane bilayer systems, consisting of 72 lipids with water molecules, were then carried out to validate the force field parameters. Membrane width, area per lipid, volume per lipid, deuterium order parameters, electron density profile, electrostatic potential difference between the center of the bilayer and water are all calculated, and compared with limited experimental data.
Do bacteria have an electric permanent dipole moment?
Stoylov, S P; Gyurova, A; Georgieva, R; Danova, S
2008-07-15
In the scientific literature in the last 40 years, some data for the permanent dipole moment and the electric polarizability of Escherichia coli can be found [S.P. Stoylov, Colloid Electro-Optics - Theory, Techniques and Application, Academic Press, London, 1991]. In this paper the data based mainly on electro-optic investigation is considered as much as some dipolophoretic (most often called dielectrophoretic) studies. Serious grounds are found to doubt the conclusions made for the electric dipole moments of bacteria by one of the authors of this paper (SPS) and by some other researchers. This concerns both the permanent dipole moment and the electric charge dependent polarizabilities of E. coli. Here, along with the discussion of the old experimental data, new experimental data are shown for a strain of E. coli HB101. The conclusions from the analysis of the old and the new experimental data is that they do not provide correct evidence for the presence of a permanent dipole moment. It seems that all statements for the existence of electric permanent dipole moment in bacteria [S.P. Stoylov, Colloid Electro-Optics - Theory, Techniques and Application, Academic Press, London, 1991; S.P. Stoylov, S. Sokerov, I. Petkanchin, N. Ibroshev, Dokl. AN URSS 180 (1968) 1165; N.A. Tolstoy, A.A. Spartakov, A.A. Trusov, S.A. Schelkunova, Biofizika 11 (1966) 453; V. Morris, B. Jennings, J. Chem. Soc. Faraday Trans. II 71 (1975) 1948; V. Morris, B. Jennings, J. Colloid Interface Sci. 55 (1978) 313; S.P. Stoylov, V.N. Shilov, S.S. Dukhin, S. Sokerov, I. Petkanchin, in: S.S. Dukhin (Ed.), Electro-optics of Colloids, Naukova Dumka, Kiev, 1977 (in Russian).] based on electro-optic studies are result of incorrect interpretation. Therefore, they should be further ignored.
Electric dipole moments reconsidered
International Nuclear Information System (INIS)
Rupertsberger, H.
1989-01-01
The electric dipole moments of elementary particles, atoms, molecules and their connection to the electric susceptibility are discussed for stationary states. Assuming rotational invariance it is emphasized that for such states only in the case of a parity and time reversal violating interaction the considered particles can obtain a nonvanishing expectation value for the electric dipole moment. 1 fig., 13 refs. (Author)
Polarizabilities of the beryllium clock transition
International Nuclear Information System (INIS)
Mitroy, J.
2010-01-01
The polarizabilities of the three lowest states of the beryllium atom are determined from a large basis configuration interaction calculation. The polarizabilities of the 2s 2 1 S e ground state (37.73a 0 3 ) and the 2s2p 3 P 0 o metastable state (39.04a 0 3 ) are found to be very similar in size and magnitude. This leads to an anomalously small blackbody radiation shift at 300 K of -0.018(4) Hz for the 2s 2 1 S e -2s2p 3 P 0 o clock transition. Magic wavelengths for simultaneous trapping of the ground and metastable states are also computed.
Axial polarizability and weak currents in nuclei
International Nuclear Information System (INIS)
Ericson, M.
1977-01-01
The weak interaction nucleonic coupling constants in nuclei are modified by the presence of the neighbouring nucleons. One type of modification is due to the virtual excitation of the isobars through meson exchange. The influence of the isobars is described by means of the nuclear axial polarizability coefficient. This polarizability is known; it is linked to the p-wave πN scattering volume. A relation is derived between the axial nuclear current and the pion field which incorporates the polarizability effects. This relation has an electromagnetic analogue. It is then possible to derive the axial and pseudoscalar coupling constants from a knowledge of the pion field. This field in turn obeys a Klein-Gordon equation which has to include the isobaric excitations. The propagation of the pion field is similar to that of an electromagnetic wave in a dielectric medium. The strong interaction coupling constant is shown to be renormalized in nuclei by the effect of the various types of correlations. (author)
Marciano, William J
2010-01-01
This book provides a self-contained description of the measurements of the magnetic dipole moments of the electron and muon, along with a discussion of the measurements of the fine structure constant, and the theory associated with magnetic and electric dipole moments. Also included are the searches for a permanent electric dipole moment of the electron, muon, neutron and atomic nuclei. The related topic of the transition moment for lepton flavor violating processes, such as neutrinoless muon or tauon decays, and the search for such processes are included as well. The papers, written by many o
MDVRY: a polarizable classical molecular dynamics package for biomolecules
Souaille, M.; Loirat, H.; Borgis, D.; Gaigeot, M. P.
2009-02-01
The MDVRY classical molecular dynamics package is presented for the study of biomolecules in the gas and liquid phase. Electrostatic polarization has been implemented in the formalism of point induced dipoles following the model of Thole. Two schemes have been implemented for the calculation of induced dipoles, i.e. resolution of the self-consistent equations and a 'Car-Parrinello' dynamical approach. In this latter, the induced dipoles are calculated at each time step of the dynamics through the dynamics of additional degrees of freedom associated with the dipoles. This method saves computer time and allows to study polarized solvated proteins at a very low CPU cost. The program is written in C-language and runs on LINUX machines. A detailed manual of the code is given. The main features of the package are illustrated taking on examples of proteins in the gas phase or immersed in liquid water. Program summaryProgram title: MDVRY Catalogue identifier: AEBY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBY_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 39 156 No. of bytes in distributed program, including test data, etc.: 277 197 Distribution format: tar.bz2 Programming language: C Computer: Linux machines with FFTW Fourier Transform package installed Operating system: Linux machines, SUSE & RedHat distributions Classification: 3, 16.13, 23 External routines: FFTW ( http://www.fftw.org/) Nature of problem: Molecular Dynamics Software package. Solution method: Velocity Verlet algorithm. The implemented force field is composed of intra-molecular interactions and inter-molecular interactions (electrostatics, polarization, van der Waals). Polarization is accounted through induced point dipoles at each atomic site. Supplementary degrees of freedom are
International Nuclear Information System (INIS)
Safronova, M. S.; Safronova, U. I.
2011-01-01
A systematic study of Ca + atomic properties is carried out using a high-precision relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for the levels up to n=7. Recommended values and estimates of their uncertainties are provided for a large number of electric-dipole transitions. Electric-dipole scalar polarizabilities for the 5s, 6s, 7s, 8s, 4p j , 5p j , 3d j , and 4d j states and tensor polarizabilities for the 4p 3/2 , 5p 3/2 , 3d j , and 4d j states in Ca + are calculated. Methods are developed to accurately treat the contributions from highly excited states, resulting in significant (factor of 3) improvement in the accuracy of the 3d 5/2 static polarizability value, 31.8(3)a 0 3 , in comparison with the previous calculation [Arora et al., Phys. Rev. A 76, 064501 (2007).]. The blackbody radiation shift of the 4s-3d 5/2 clock transition in Ca + is calculated to be 0.381(4) Hz at room temperature, T=300 K. Electric-quadrupole 4s-nd and electric-octupole 4s-nf matrix elements are calculated to obtain the ground-state multipole E2 and E3 static polarizabilities. Excitation energies of the ns, np, nd, nf, and ng states with n≤ 7 in are evaluated and compared with experiment. Recommended values are provided for the 7p 1/2 , 7p 3/2 , 8p 1/2 , and 8p 3/2 removal energies for which experimental measurements are not available. The hyperfine constants A are determined for the low-lying levels up to n=7. The quadratic Stark effect on hyperfine structure levels of 43 Ca + ground state is investigated. These calculations provide recommended values critically evaluated for their accuracy for a number of Ca + atomic properties for use in planning and analysis of various experiments as well as theoretical modeling.
Cabouat, Baptiste; Sjöstrand, Torbjörn
2018-03-01
Parton showers have become a standard component in the description of high-energy collisions. Nowadays most final-state ones are of the dipole character, wherein a pair of partons branches into three, with energy and momentum preserved inside this subsystem. For initial-state showers a dipole picture is also possible and commonly used, but the older global-recoil strategy remains a valid alternative, wherein larger groups of partons share the energy-momentum preservation task. In this article we introduce and implement a dipole picture also for initial-state radiation in Pythia, and compare with the existing global-recoil one, and with data. For the case of Deeply Inelastic Scattering we can directly compare with matrix element expressions and show that the dipole picture gives a very good description over the whole phase space, at least for the first branching.
Vibrational Fano resonances in the photodetachment of dipole-bound anions
International Nuclear Information System (INIS)
Edwards, Stephen T; Tully, John C; Johnson, Mark A
2012-01-01
A simple model for the photodetachment of dipole-bound anions is proposed where non-adiabatic coupling of vibrational states leads to a Fano resonance in the spectrum. It is found that the shape of the photodetachment spectrum depends significantly on the parameter representing molecular polarizability. The model is also applied to a Fano profile observed in the photodetachment of small water cluster anions.
Kolesnikov, A L; Budkov, Yu A; Basharova, E A; Kiselev, M G
2017-06-21
The paper presents a theoretical approach for describing the influence of an electric field on the conformation of an electrically neutral dielectric polymer chain dissolved in a dielectric solvent with an admixture of a target compound. Each monomer and each molecule of the target compound carries positive excess polarizability and the solvent is described as a continuous dielectric medium. The model is based on the Flory-type mean-field theory. We demonstrate non-monotonic dependences of the expansion factor and the concentration of the target compound on the strength of the electric field and molecular polarizability. Namely, the target compound concentration in the internal polymer volume as a function of electric field strength has pronounced maxima if the molecules are polarizable. In addition, the expansion factor of the non-polarizable polymer chain can be controlled by the electric field. The dependences of the expansion factor and target compound concentration on the monomer polarizability exhibit minima and intersection points. The intersection points correspond to the equality of dielectric permittivities in the bulk solution and in the internal polymer volume.
Pion polarizability in nonlocal quark model
International Nuclear Information System (INIS)
Efimov, G.V.; Okhlopkova, V.A.
1978-01-01
The γγ→ππ amplitude was calculated in nonlocal quark model in the fourth order on the perturbation theory. The coefficients of electric[a) and magnetic polarizability (β) determined are equal in magnitude and opposite in sign αsub(π+-)=βsub(π+-)=+0.014α/msub(π)sup(3), αsub(πsup(0))=-βsub(πsup(0))=-0.07α/msub(π)sup(3). The results have been compared with calculations in other models
Radiation damping of a polarizable particle
Novotny, Lukas
2017-09-01
A polarizable body moving in an external electromagnetic field will slow down. This effect is referred to as radiation damping and is analogous to Doppler cooling in atomic physics. Using the principles of special relativity we derive an expression for the radiation damping force and find that it solely depends on the scattered power. The cooling of the particle's center-of-mass motion is balanced by heating due to radiation pressure shot noise, giving rise to an equilibrium that depends on the ratio of the field's frequency and the particle's mass. While damping is of relativistic nature, heating has its roots in quantum mechanics.
Radiative corrections for pion polarizability experiments
International Nuclear Information System (INIS)
Akhundov, A.A.; Gerzon, S.; Kananov, S.; Moinester, M.A.
1994-08-01
We use the semi-analytical program RCFORGV to evaluate radiative corrections to one-photon radiative emission in the high-energy scattering of pions in the Coulomb field of a nucleus with atomic number Z. It is shown that radiative corrections can simulate a pion polarizability effect. The average effect is α rc π =-β rc π =(0.20±0.05) x 10 -43 cm 3 , for pion energies 40-600 GeV. We also study the range of applicability of the equivalent photon approximation in describing one-photon radiative emission. (author). 21 refs, 6 figs, 1 tab
The polarizable embedding coupled cluster method
DEFF Research Database (Denmark)
Sneskov, Kristian; Schwabe, Tobias; Kongsted, Jacob
2011-01-01
We formulate a new combined quantum mechanics/molecular mechanics (QM/MM) method based on a self-consistent polarizable embedding (PE) scheme. For the description of the QM region, we apply the popular coupled cluster (CC) method detailing the inclusion of electrostatic and polarization effects......-called PE-CCSDR(3) model. Finally, we utilize the presented method in the description of a full protein by investigating the shift of the intense electronic excitation energy of the photoactive yellow protein due to the surrounding amino acids....
Fast representation of dipole-dipole geoelectrical data with pseudosections for regional surveys
Directory of Open Access Journals (Sweden)
M. Giudici
2000-06-01
Full Text Available I propose a fast method for constructing pseudosections of apparent resistivity from geoelectrical data collected for deep studies with continuous polar dipole-dipole arrays. Once a vertical section is fixed, each value of apparent resistivity is assigned to a point on the section and finally pseudosections are obtained by interpolation. This allows the geophysicist to represent a large amount of data in a fast and simple way, to perform a qualitative interpretation and to facilitate the quantitative interpretation.
Energy Technology Data Exchange (ETDEWEB)
Alday, Luis F. [Institute for Theoretical Physics and Spinoza Institute, Utrecht University, 3508 TD Utrecht (Netherlands)]. E-mail: l.f.alday@phys.uu.nl; Boer, Jan de [Instituut voor Theoretische Fysica, Valckenierstraat 65, 1018 XE Amsterdam (Netherlands)]. E-mail: jdeboer@science.uva.nl; Messamah, Ilies [Instituut voor Theoretische Fysica, Valckenierstraat 65, 1018 XE Amsterdam (Netherlands)]. E-mail: imessama@science.uva.nl
2006-07-03
We study gravitational solutions that admit a dual CFT description and carry non-zero dipole charge. We focus on the black ring solution in AdS{sub 3}xS{sup 3} and extract from it the one-point functions of all CFT operators dual to scalar excitations of the six-dimensional metric. In the case of small black rings, characterized by the level N, angular momentum J and dipole charge q{sub 3}, we show how the large N and J dependence of the one-point functions can be reproduced, under certain assumptions, directly from a suitable ensemble in the dual CFT. Finally we present a simple toy model that describes the thermodynamics of the small black ring for arbitrary values of the dipole charge.
Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide
DEFF Research Database (Denmark)
Kjær, Hanna; Nielsen, Monia R.; Pagola, Gabriel I.
2012-01-01
In this paper we present the so far most extended investigation of the calculation of the coupling constant polarizability of a molecule. The components of the coupling constant polarizability are derivatives of the NMR indirect nuclear spin-spin coupling constant with respect to an external elec...
Model-independent effects of Δ excitation in nucleon polarizabilities
International Nuclear Information System (INIS)
Pascalutsa, Vladimir; Phillips, Daniel R.
2003-01-01
Model-independent effects of Δ(1232) excitation on nucleon polarizabilities are computed in a Lorentz-invariant fashion. We find a large effect of relative order (M Δ -M)/M in some of the spin polarizabilities, with the backward spin polarizability receiving the largest contribution. Similar subleading effects are found to be important in the fourth-order spin-independent polarizabilities α Eν , α E2 , β Mν , and β M2 . Combining our results with those for the model-independent effects of pion loops we obtain predictions for spin and fourth-order polarizabilities which compare favorably with the results of a recent dispersion-relation analysis of data
Corrected electrostatic model for dipoles adsorbed on a metal surface
Energy Technology Data Exchange (ETDEWEB)
Maschhoff, B.L.; Cowin, J.P. (Enviornmental and Molecular Science Laboratory, Pacific Northwest Laboratories Box 999 MS K2-14, Richland, Washington 99352 (United States))
1994-11-01
We present a dipole--dipole interaction model for polar molecules vertically adsorbed on a idealized metal surface in an approximate analytic form suitable for estimating the coverage dependence of the work function, binding energies, and thermal desorption activation energies. In contrast to previous treatments, we have included all contributions to the interaction energy within the dipole model, such as the internal polarization energy and the coverage dependence of the self-image interaction with the metal. We show that these can contribute significantly to the total interaction energy. We present formulae for both point and extended dipole cases.
Steindal, Arnfinn Hykkerud; Beerepoot, Maarten T P; Ringholm, Magnus; List, Nanna Holmgaard; Ruud, Kenneth; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard
2016-10-12
We present the theory and implementation of an open-ended framework for electric response properties at the level of Hartree-Fock and Kohn-Sham density functional theory that includes effects from the molecular environment modeled by the polarizable embedding (PE) model. With this new state-of-the-art multiscale functionality, electric response properties to any order can be calculated for molecules embedded in polarizable atomistic molecular environments ranging from solvents to complex heterogeneous macromolecules such as proteins. In addition, environmental effects on multiphoton absorption (MPA) properties can be studied by evaluating single residues of the response functions. The PE approach includes mutual polarization effects between the quantum and classical parts of the system through induced dipoles that are determined self-consistently with respect to the electronic density. The applicability of our approach is demonstrated by calculating MPA strengths up to four-photon absorption for the green fluorescent protein. We show how the size of the quantum region, as well as the treatment of the border between the quantum and classical regions, is crucial in order to obtain reliable MPA predictions.
Haspel, C.; Adler, G.
2017-04-01
In the current study, the electromagnetic properties of porous aerosol particles are calculated in two ways. In the first, a porous target input file is generated by carving out voids in an otherwise homogeneous particle, and the discrete dipole approximation (DDA) is used to compute the extinction efficiency of the particle assuming that the voids are near vacuum dielectrics and assuming random particle orientation. In the second, an effective medium approximation (EMA) style approach is employed in which an apparent polarizability of the voids is defined based on the well-known solution to the problem in classical electrostatics of a spherical cavity within a dielectric. It is found that for porous particles with smaller overall diameter with respect to the wavelength of incident radiation, describing the voids as near vacuum dielectrics within the DDA sufficiently reproduces measured values of extinction efficiency, whereas for porous particles with moderate to larger overall diameters with respect to the wavelength of the radiation, the apparent polarizability EMA approach better reproduces the measured values of extinction efficiency.
Ohtori, Norikazu; Salanne, Mathieu; Madden, Paul A
2009-03-14
Expressions for the energy current of a system of charged, polarizable ions in periodic boundary conditions are developed in order to allow the thermal conductivity in such a system to be calculated by computer simulation using the Green-Kubo method. Dipole polarizable potentials for LiCl, NaCl, and KCl are obtained on a first-principles basis by "force matching" to the results of ab initio calculations on suitable condensed-phase ionic configurations. Simulation results for the thermal conductivity, and also other transport coefficients, for the melts are compared with experimental data and with results obtained with other interaction potentials. The agreement with experiment is almost quantitative, especially for NaCl and KCl, indicating that these methodologies, perhaps with more sophisticated forms for the potential, can be used to predict thermal conductivities for melts for which experimental determination is very difficult. It is demonstrated that the polarization effects have an important effect on the energy current and are crucial to a predictive scheme for the thermal conductivity.
Density and polarizability of liquid 4He
International Nuclear Information System (INIS)
Kempin'ski, V.; Zhuk, T.; Stankovski, Ya.; Sitarzh, S.
1988-01-01
The temperature changes in the density of liquid helium are measured in the temperature range of 1.63 to 4.2 K.; Unlike the conventional pycnometric technique, the changes in the hydrostatic displacement of the liquid were determined. The cirrectness of the method chosen and the appropriate equipment for its realization are substantiated. The results obtained are in good agreement with those of other authors. On the basis of temperature measurements of the dependence of density ρ and permittivity ε, the dependence of polarizability A of liquid 4 He on temperature and density was calculated. The results obtained show an alternating character of the dependences A(T) and A(ρ). These dependences are found to correlate
2004-01-01
The cold mass of a 15-metre main dipole magnet has some fifteen different components. All the main components are manufactured under CERN's direct responsibility. Four of them transit through CERN before being shipped to the dipole assembly contractors, namely the cable, which constitutes the magnet's superconducting core (see Bulletin 14/2004), the beam screens, the heat exchanger tubes and the cold bore beam tubes. The two latter components transit via Building 927 where they undergo part of the production process. The 58-mm diameter heat exchanger tubes will remove heat from the magnets using superfluid helium. The 53-mm diameter cold bore tubes will be placed under vacuum to allow the twin beams to circulate around the LHC.
Giant Primeval Magnetic Dipoles
Thompson, Christopher
2017-07-01
Macroscopic magnetic dipoles are considered cosmic dark matter. Permanent magnetism in relativistic field structures can involve some form of superconductivity, one example being current-carrying string loops (“springs”) with vanishing net tension. We derive the cross-section for free classical dipoles to collide, finding it depends weakly on orientation when mutual precession is rapid. The collision rate of “spring” loops with tension { T }˜ {10}-8{c}4/G in galactic halos approaches the measured rate of fast radio bursts (FRBs) if the loops compose most of the dark matter. A large superconducting dipole (LSD) with mass ˜1020 g and size ˜1 mm will form a ˜100 km magnetosphere moving through interstellar plasma. Although hydromagnetic drag is generally weak, it is strong enough to capture some LSDs into long-lived rings orbiting supermassive black holes (SMBHs) that form by the direct collapse of massive gas clouds. Repeated collisions near young SMBHs could dominate the global collision rate, thereby broadening the dipole mass spectrum. Colliding LSDs produce tiny, hot electromagnetic explosions. The accompanying paper shows that these explosions couple effectively to propagating low-frequency electromagnetic modes, with output peaking at 0.01-1 THz. We describe several constraints on, and predictions of, LSDs as cosmic dark matter. The shock formed by an infalling LSD triggers self-sustained thermonuclear burning in a C/O (ONeMg) white dwarf (WD) of mass ≳1 M ⊙ (1.3 M ⊙). The spark is generally located off the center of the WD. The rate of LSD-induced explosions matches the observed rate of Type Ia supernovae.
International Nuclear Information System (INIS)
Holanda, B A; Cordeiro, R C; Blak, A R
2010-01-01
Dipole defects in gamma irradiated and thermally treated beryl (Be 3 Al 2 Si 6 O 18 ) samples have been studied using the Thermally Stimulated Depolarization Currents (TSDC) technique. TSDC experiments were performed in pink (morganite), green (emerald), blue (aquamarine) and colourless (goshenite) natural beryl. TSDC spectra present dipole peaks at 190K, 220K, 280K and 310K that change after gamma irradiation and thermal treatments. In morganite samples, for thermal treatments between 700K and 1100K, the 280K peak increase in intensity and the band at 220K disappears. An increase of the 280K peak and a decrease of the 190K peak were observed in the TSDC spectra of morganite after a gamma irradiation of 25kGy performed after the thermal treatments. In the case of emerald samples, thermal treatments enhanced the 280K peak and gamma irradiation partially destroyed this band. The goshenite TSDC spectra present only one band at 280K that is not affected either by thermal treatments or by gamma irradiation. All the observed peaks are of dipolar origin because the intensity of the bands is linearly dependent on the polarization field, behaviour of dipole defects. The systematic study, by means of TSDC measurements, of ionizing irradiation effects and thermal treatments in these crystals makes possible a better understanding of the role played by the impurities in beryl crystals.
Dynamic polarizabilities for the low lying states of Ca+
International Nuclear Information System (INIS)
Tang, Yong-Bo; Shi, Ting-Yun; Qiao, Hao-Xue; Mitroy, J
2014-01-01
The dynamic polarizabilities of the 4s, 3d and 4p states of Ca + are calculated using a relativistic structure model. The wavelengths at which the Stark shifts between different pairs of transitions are zero are calculated. Experimental determination of the magic wavelengths could prove useful in developing better atomic structure models and in particular lead to improved values of the polarizabilities for the Ca + (3d) states
On the use of pseudostates to calculate molecular polarizabilities
Energy Technology Data Exchange (ETDEWEB)
Jones, Marc; Tennyson, Jonathan [Department of Physics and Astronomy, University College London, Gower St, London WC1E 6BT (United Kingdom)
2010-02-28
The polarizability of a molecule is an intrinsic property which is important for a large variety of problems. However, determining reliable values for these polarizabilities is not straightforward: for instance the standard sum over states formulation of the problem does not converge because of the need to include not only many excited states but also to allow for contributions from the continuum. Here a formulation of this technique is given which uses pseudostates to allow for physical and continuum states otherwise omitted from the expansion. The pseudostates are represented by even-tempered expansions of Gaussian-type orbitals at the molecular centre-of-mass. The method is tested for LiH, Li{sub 2}, water and CO molecules. For LiH and CO, calculations for the polarizability of low-lying excited states are presented including that for the A {sup 3}PI state of CO, whose polarizability appears not to have been previously determined. It is suggested that the use of pseudostates provides a straightforward method of calculating static polarizabilities of molecules in both ground and excited electronic states. The extension of the method to the calculation of dynamic polarizabilities is discussed.
Dipole Map For Divertor Tokamaks
International Nuclear Information System (INIS)
Ali, Halima; Punjabi, Alkesh; Boozer, Allen
2003-01-01
Heat flux impinging on the collector plates of divertor tokamaks can be prodigious. Therefore, the problem of spreading the heat flux on plates is a crucial issue for divertor tokamaks such as ITER. Here we use method of maps /1,2/ to investigate this problem. Magnetic field lines in non-axisymmetric divertor tokamaks are a one and a half degree of freedom Hamiltonian system /1-3/. We represent the unperturbed magnetic topology by the Symmetric Simple Map (SSM) /4/ given by yn+1 = yn + 2kxn - 2k2yn (1 - yn), xn+1 = xn - kyn (1 - yn) - 2k2yn+1 (1 - yn+1). The effects of a current carrying coil placed externally across from X-point is represented by Dipole Map (DP) /4,5/ given by x n+1 = x n + 2δs 3 x n+1 (y n - y s + s/[x n+1 2 + (y n - y s + s) 2 ] 2 ), y n+1 = y n + δs 3 x n+1 ((y n - y s + s) 2 - x n+1 2 /[x n+1 2 + (y n - y s + s) 2 ] 2 ) δ is amplitude of high MN magnetic perturbation, s is the distance of coil from last good surface across from X point, and is the y coordinate of last good surface where it crosses the axis joining X point and O point across from X point. We fix k=0.3 and s = (1/2)|y s |. We calculate the increase in width of stochastic layer and area of footprint of field lines on divertor plate as δ is increased. We also calculate how connection length, toroidal and poloidal circuits and their fractal structures, the number, location and density of hot spots change with δ. Finally, we make conclusions about how the heat flux can be possibly controlled and reduced by applying external magnetic perturbation in divertor tokamaks
A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water
Energy Technology Data Exchange (ETDEWEB)
Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul, E-mail: tavan@physik.uni-muenchen.de [Lehrstuhl für BioMolekulare Optik, Ludwig-Maximilians Universität München, Oettingenstr. 67, 80538 München (Germany)
2016-03-21
The infrared (IR) spectra of polypeptides are dominated by the so-called amide bands. Because they originate from the strongly polar and polarizable amide groups (AGs) making up the backbone, their spectral positions sensitively depend on the local electric fields. Aiming at accurate computations of these IR spectra by molecular dynamics (MD) simulations, which derive atomic forces from a hybrid quantum and molecular mechanics (QM/MM) Hamiltonian, here we consider the effects of solvation in bulk liquid water on the amide bands of the AG model compound N-methyl-acetamide (NMA). As QM approach to NMA we choose grid-based density functional theory (DFT). For the surrounding MM water, we develop, largely based on computations, a polarizable molecular mechanics (PMM) model potential called GP6P, which features six Gaussian electrostatic sources (one induced dipole, five static partial charge distributions) and, therefore, avoids spurious distortions of the DFT electron density in hybrid DFT/PMM simulations. Bulk liquid GP6P is shown to have favorable properties at the thermodynamic conditions of the parameterization and beyond. Lennard-Jones (LJ) parameters of the DFT fragment NMA are optimized by comparing radial distribution functions in the surrounding GP6P liquid with reference data obtained from a “first-principles” DFT-MD simulation. Finally, IR spectra of NMA in GP6P water are calculated from extended DFT/PMM-MD trajectories, in which the NMA is treated by three different DFT functionals (BP, BLYP, B3LYP). Method-specific frequency scaling factors are derived from DFT-MD simulations of isolated NMA. The DFT/PMM-MD simulations with GP6P and with the optimized LJ parameters then excellently predict the effects of aqueous solvation and deuteration observed in the IR spectra of NMA. As a result, the methods required to accurately compute such spectra by DFT/PMM-MD also for larger peptides in aqueous solution are now at hand.
A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water.
Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul
2016-03-21
The infrared (IR) spectra of polypeptides are dominated by the so-called amide bands. Because they originate from the strongly polar and polarizable amide groups (AGs) making up the backbone, their spectral positions sensitively depend on the local electric fields. Aiming at accurate computations of these IR spectra by molecular dynamics (MD) simulations, which derive atomic forces from a hybrid quantum and molecular mechanics (QM/MM) Hamiltonian, here we consider the effects of solvation in bulk liquid water on the amide bands of the AG model compound N-methyl-acetamide (NMA). As QM approach to NMA we choose grid-based density functional theory (DFT). For the surrounding MM water, we develop, largely based on computations, a polarizable molecular mechanics (PMM) model potential called GP6P, which features six Gaussian electrostatic sources (one induced dipole, five static partial charge distributions) and, therefore, avoids spurious distortions of the DFT electron density in hybrid DFT/PMM simulations. Bulk liquid GP6P is shown to have favorable properties at the thermodynamic conditions of the parameterization and beyond. Lennard-Jones (LJ) parameters of the DFT fragment NMA are optimized by comparing radial distribution functions in the surrounding GP6P liquid with reference data obtained from a "first-principles" DFT-MD simulation. Finally, IR spectra of NMA in GP6P water are calculated from extended DFT/PMM-MD trajectories, in which the NMA is treated by three different DFT functionals (BP, BLYP, B3LYP). Method-specific frequency scaling factors are derived from DFT-MD simulations of isolated NMA. The DFT/PMM-MD simulations with GP6P and with the optimized LJ parameters then excellently predict the effects of aqueous solvation and deuteration observed in the IR spectra of NMA. As a result, the methods required to accurately compute such spectra by DFT/PMM-MD also for larger peptides in aqueous solution are now at hand.
Backfire antennas with dipole elements
DEFF Research Database (Denmark)
Nielsen, Erik Dragø; Pontoppidan, Knud
1970-01-01
A method is set up for a theoretical investigation of arbitrary backfire antennas based upon dipole structures. The mutual impedance between the dipole elements of the antenna is taken into account, and the field radiated due to a surface wave reflector of finite extent is determined by calculating...
Magnetic dipoles and electric currents
Corbó, Guido; Testa, Massimo
2009-01-01
We discuss several similarities and differences between the concepts of electric and magnetic dipoles. We then consider the relation between the magnetic dipole and a current loop and show that in the limit of a pointlike circuit, their magnetic fields coincide. The presentation is accessible to undergraduate students with a knowledge of the basic ideas of classical electromagnetism.
QM/MM based fitting of atomic polarizabilities for use in condensed-phase biomolecular simulation
Vosmeer, C.R.; Rustenburg, A.S.; Rice, J.E.; Horn, H.W.; Swope, W.C.; Geerke, D.P.
2012-01-01
Accounting for electronic polarization effects in biomolecular simulation (by using a polarizable force field) can increase the accuracy of simulation results. However, the use of gas-phase estimates of atomic polarizabilities α
Gresh, Nohad; El Hage, Krystel; Perahia, David; Piquemal, Jean-Philip; Berthomieu, Catherine; Berthomieu, Dorothée
2014-11-05
The existence of a network of structured waters in the vicinity of the bimetallic site of Cu/Zn-superoxide dismutase (SOD) has been inferred from high-resolution X-ray crystallography. Long-duration molecular dynamics (MD) simulations could enable to quantify the lifetimes and possible interchanges of these waters between themselves as well as with a ligand diffusing toward the bimetallic site. The presence of several charged or polar ligands makes it necessary to resort to second-generation polarizable potentials. As a first step toward such simulations, we benchmark in this article the accuracy of one such potential, sum of interactions between fragments Ab initio computed (SIBFA), by comparisons with quantum mechanics (QM) computations. We first consider the bimetallic binding site of a Cu/Zn-SOD, in which three histidines and a water molecule are bound to Cu(I) and three histidines and one aspartate are bound to Zn(II). The comparisons are made for different His6 complexes with either one or both cations, and either with or without Asp and water. The total net charges vary from zero to three. We subsequently perform preliminary short-duration MD simulations of 296 waters solvating Cu/Zn-SOD. Six representative geometries are selected and energy-minimized. Single-point SIBFA and QM computations are then performed in parallel on model binding sites extracted from these six structures, each of which totals 301 atoms including the closest 28 waters from the Cu metal site. The ranking of their relative stabilities as given by SIBFA is identical to the QM one, and the relative energy differences by both approaches are fully consistent. In addition, the lowest-energy structure, from SIBFA and QM, has a close overlap with the crystallographic one. The SIBFA calculations enable to quantify the impact of polarization and charge transfer in the ranking of the six structures. Five structural waters, which connect Arg141 and Glu131, are endowed with very high dipole moments
Determination of the dipole moments of RNAse SA wild type and a basic mutant.
Chari, Ravi; Singh, Shubhadra N; Yadav, Sandeep; Brems, David N; Kalonia, Devendra S
2012-04-01
In this study, we report the effects of acidic to basic residue point mutations (5K) on the dipole moment of RNAse SA at different pHs. Dipole moments were determined by measuring solution capacitance of the wild type (WT) and the 5K mutant with an impedance analyzer. The dipole moments were then (1) compared with theoretically calculated dipole moments, (2) analyzed to determine the effect of the point mutations, and (3) analyzed for their contribution to overall protein-protein interactions (PPI) in solution as quantitated by experimentally derived second virial coefficients. We determined that experimental and calculated dipoles were in reasonable agreement. Differences are likely due to local motions of residue side chains, which are not accounted for by the calculated dipole. We observed that the proteins' dipole moments increase as the pH is shifted further from their isoelectric points and that the wild-type dipole moments were greater than those of the 5K. This is likely due to an increase in the proportion of one charge (either negative or positive) relative to the other. A greater charge disparity corresponded to a larger dipole moment. Finally, the larger dipole moments of the WT resulted in greater attractive overall PPI for that protein as compared to the 5K. Copyright © 2011 Wiley Periodicals, Inc.
DEFF Research Database (Denmark)
Hršak, Dalibor; Nørby, Morten Steen; Coriani, Sonia
2018-01-01
We present a formulation of the polarizable density embedding (PDE) method in combination with the complex polarization propagator (CPP) method for the calculation of absorption spectra of molecules in solutions. The method is particularly useful for the calculation of near-edge X-ray absorption...... fine structure (NEXAFS) spectra. We compare the performance of PDE-CPP with the previously formulated polarizable embedding (PE)-CPP model for the calculation of the NEXAFS spectra of adenine, formamide, glycine, and adenosine triphosphate (ATP) in water at the carbon and nitrogen K-edges, as well...
Measurement of the Charged-Pion Polarizability
Adolph, C; Alexeev, M.G.; Alexeev, G.D.; Amoroso, A.; Andrieux, V.; Anosov, V.; Austregesilo, A.; Badelek, B.; Balestra, F.; Barth, J.; Baum, G.; Beck, R.; Bedfer, Y.; Berlin, A.; Bernhard, J.; Bicker, K.; Bieling, J.; Birsa, R.; Bisplinghoff, J.; Bodlak, M.; Boer, M.; Bordalo, P.; Bradamante, F.; Braun, C.; Bressan, A.; Buchele, M.; Burtin, E.; Capozza, L.; Chiosso, M.; Chung, S.U.; Cicuttin, A.; Colantoni, M.; Crespo, M.L.; Curiel, Q.; Dalla Torre, S.; Dasgupta, S.S.; Dasgupta, S.; Denisov, O.Yu.; Dinkelbach, A.M.; Donskov, S.V.; Doshita, N.; Duic, V.; Dunnweber, W.; Dziewiecki, M.; Efremov, A.; Elia, C.; Eversheim, P.D.; Eyrich, W.; Faessler, M.; Ferrero, A.; Filin, A.; Finger, M.; M. Finger jr; Fischer, H.; Franco, C.; von Hohenesche, N. du Fresne; Friedrich, J.M.; Frolov, V.; Gautheron, F.; Gavrichtchouk, O.P.; Gerassimov, S.; Geyer, R.; Gnesi, I.; Gobbo, B.; Goertz, S.; Gorzellik, M.; Grabmuller, S.; Grasso, A.; Grube, B.; Grussenmeyer, T.; Guskov, A.; Guthorl, T.; Haas, F.; von Harrach, D.; Hahne, D.; Hashimoto, R.; Heinsius, F.H.; Herrmann, F.; Hinterberger, F.; Hoppner, Ch.; Horikawa, N.; d'Hose, N.; Huber, S.; Ishimoto, S.; Ivanov, A.; Ivanshin, Yu.; Iwata, T.; Jahn, R.; Jary, V.; Jasinski, P.; Jorg, P.; Joosten, R.; Kabuss, E.; Ketzer, B.; Khaustov, G.V.; Khokhlov, Yu. A.; Kisselev, Yu.; Klein, F.; Klimaszewski, K.; Koivuniemi, J.H.; Kolosov, V.N.; Kondo, K.; Konigsmann, K.; Konorov, I.; Konstantinov, V.F.; Kotzinian, A.M.; Kouznetsov, O.; Kramer, M.; Kroumchtein, Z.V.; Kuchinski, N.; Kuhn, R.; Kunne, F.; Kurek, K.; Kurjata, R.P.; Lednev, A.A.; Lehmann, A.; Levillain, M.; Levorato, S.; Lichtenstadt, J.; Maggiora, A.; Magnon, A.; Makke, N.; Mallot, G.K.; Marchand, C.; Martin, A.; Marzec, J.; Matousek, J.; Matsuda, H.; Matsuda, T.; Meshcheryakov, G.; Meyer, W.; Michigami, T.; Mikhailov, Yu. V.; Miyachi, Y.; Moinester, M.A.; Nagaytsev, A.; Nagel, T.; Nerling, F.; Neubert, S.; Neyret, D.; Nikolaenko, V.I.; Novy, J.; Nowak, W.D.; Nunes, A.S.; Olshevsky, A.G.; Orlov, I.; Ostrick, M.; Panknin, R.; Panzieri, D.; Parsamyan, B.; Paul, S.; Peshekhonov, D.; Platchkov, S.; Pochodzalla, J.; Polyakov, V.A.; Pretz, J.; Quaresma, M.; Quintans, C.; Ramos, S.; Regali, C.; Reicherz, G.; Rocco, E.; Rossiyskaya, N.S.; Ryabchikov, D.I.; Rychter, A.; Samoylenko, V.D.; Sandacz, A.; Sarkar, S.; Savin, I.A.; Sbrizzai, G.; Schiavon, P.; Schill, C.; Schluter, T.; Schmidt, K.; Schmieden, H.; Schonning, K.; Schopferer, S.; Schott, M.; Shevchenko, O.Yu.; Silva, L.; Sinha, L.; Sirtl, S.; Slunecka, M.; Sosio, S.; Sozzi, F.; Srnka, A.; Steiger, L.; Stolarski, M.; Sulc, M.; Sulej, R.; Suzuki, H.; Szabelski, A.; Szameitat, T.; Sznajder, P.; Takekawa, S.; Wolbeek, J. ter; Tessaro, S.; Tessarotto, F.; Thibaud, F.; Uhl, S.; Uman, I.; Virius, M.; Wang, L.; Weisrock, T.; Wilfert, M.; Windmolders, R.; Wollny, H.; Zaremba, K.; Zavertyaev, M.; Zemlyanichkina, E.; Ziembicki, M.; Zink, A.
2015-01-01
The COMPASS collaboration at CERN has investigated pion Compton scattering, $\\pi^-\\gamma\\rightarrow \\pi^-\\gamma$, at centre-of-mass energy below 3.5 pion masses. The process is embedded in the reaction $\\pi^-\\mathrm{Ni}\\rightarrow\\pi^-\\gamma\\;\\mathrm{Ni}$, which is initiated by 190 GeV pions impinging on a nickel target. The exchange of quasi-real photons is selected by isolating the sharp Coulomb peak observed at smallest momentum transfers, $Q^2<0.0015$ (GeV/$c$)$^2$. From a sample of 63 000 events the pion electric polarisability is determined to be $\\alpha_\\pi = (2.0 \\pm 0.6_{\\mbox{stat}} \\pm 0.7_{\\mbox{syst}}) \\times 10^{-4} \\mbox{fm}^3$ under the assumption $\\alpha_\\pi=-\\beta_\\pi$, which relates the electric and magnetic dipole polarisabilities. It is the most precise measurement of this fundamental low-energy parameter of strong interaction, that has been addressed since long by various methods with conflicting outcomes. While this result is in tension with previous dedicated measurements, it is fou...
Communication: Permanent dipoles contribute to electric polarization in chiral NMR spectra
International Nuclear Information System (INIS)
Buckingham, A. David
2014-01-01
Nuclear magnetic resonance spectroscopy is blind to chirality because the spectra of a molecule and its mirror image are identical unless the environment is chiral. However, precessing nuclear magnetic moments in chiral molecules in a strong magnetic field induce an electric polarization through the nuclear magnetic shielding polarizability. This effect is equal and opposite for a molecule and its mirror image but is small and has not yet been observed. It is shown that the permanent electric dipole moment of a chiral molecule is partially oriented through the antisymmetric part of the nuclear magnetic shielding tensor, causing the electric dipole to precess with the nuclear magnetic moment and producing a much larger temperature-dependent electric polarization with better prospects of detection
2001-01-01
Andrezej Siemko (left), Peter Sievers (centre), and Lucio Rossi (right), have the exciting challenge of preparing and testing 2000 magnets for the LHC. The LHC is going to require a lot of powerful magnets by the time it begins operation in 2006. More specifically, it is going to need 130 special magnets, 400 quadrupoles, and a whopping 1250 dipoles! Preparing and testing these magnets for the conditions they will encounter in the LHC is not an easy task. But evaluation of the most recently received magnet, from the German company Noell, is showing that while the monumental task of receiving and testing nearly 2000 magnets is going to be exhausting, the goals are definitely attainable. At the moment and over the next year, pre-series magnets (the magnets that CERN uses to fine tune performance) are arriving slowly (90 in total will arrive), but by 2003 the rate of series magnet arrival will accelerate to 9 per week, that's over 450 in a single year! And working with these magnets when they arrive is tough. ...
Gaussian-Charge Polarizable and Nonpolarizable Models for CO2.
Jiang, Hao; Moultos, Othonas A; Economou, Ioannis G; Panagiotopoulos, Athanassios Z
2016-02-11
A polarizable intermolecular potential model using three classical Drude oscillators on the atomic sites has been developed for CO2. The model is rigid with bond lengths and molecular geometries set to their experimental values. Electrostatic interactions are represented by three Gaussian charges connected to the molecular frame by harmonic springs. Nonelectrostatic interactions are represented by the Buckingham exponential-6 potential, with potential parameters optimized to vapor-liquid equilibria (VLE) data. A nonpolarizable CO2 model that shares the other ingredients of the polarizable model was also developed and optimized to VLE data. Gibbs ensemble Monte Carlo and molecular dynamics simulations were used to evaluate the two models with respect to a variety of thermodynamic and transport properties, including the enthalpy of vaporization, second virial coefficient, density in the one-phase fluid region, isobaric and isochoric heat capacities, radial distribution functions, self-diffusion coefficient, and shear viscosity. Excellent agreement between model predictions and experimental data was found for all properties studied. The polarizable and nonpolarizable models provide a similar representation of CO2 properties, which indicates that the properties of pure CO2 fluid are not strongly affected by polarization. The polarizable model, which has an order of magnitude higher computational cost than the nonpolarizable model, will likely be useful for the study of a mixture of CO2 and polar components for which polarization is important.
Substituent effects of the alkyl groups: Polarity vs. polarizability
Czech Academy of Sciences Publication Activity Database
Exner, Otto; Böhm, S.
-, č. 17 (2007), s. 2870-2876 ISSN 1434-193X Institutional research plan: CEZ:AV0Z40550506 Keywords : density functional calculations * hyperconjugation * inductive effect * polarizability Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.914, year: 2007
Neutron polarizability. Possibilities of its determination in neutron experiments
Aleksandrov, Y A
2001-01-01
The history of question of neutron polarizability is discussed. Most of the neutron physical experiments conducted at neutron energies below 14 MeV to discover the electric polarizability of the neutron are reviewed.The existence of additional scattering after all known long range-related phenomena are taken into account are emphasized. In the keV neutron energy region, the effect of neutron polarizability on the angular distribution of scattering (over a wide range of angles) and the energy behavior of the total cross section of neutron interaction is studied. Finally, in the region of low energies (below 1 keV) the focus is on the influence of polarizability on the energy dependence of total neutron cross sections. It is emphasized that measurements at energies below several hundreds keV have not given any positive results yet due to the smallness of the experimental effect. Possible existence of an additional potential of neutron scattering on nuclei with a longer range than that of the usual nuclear poten...
Polarizability effects on the structure and dynamics of ionic liquids
Energy Technology Data Exchange (ETDEWEB)
Cavalcante, Ary de Oliveira, E-mail: arycavalcante@ufam.edu.br [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil); Departamento de Química, Universidade Federal do Amazonas, Av. Rodrigo Octávio, 6200, Coroado, Manaus, AM (Brazil); Ribeiro, Mauro C. C. [Laboratório de Espectroscopia Molecular, Instituto de Química, Universidade de São Paulo, São Paulo, SP C.P. 26077, 05513 970 São Paulo, SP (Brazil); Skaf, Munir S. [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil)
2014-04-14
Polarization effects on the structure and dynamics of ionic liquids are investigated using molecular dynamics simulations. Four different ionic liquids were simulated, formed by the anions Cl{sup −} and PF{sub 6}{sup −}, treated as single fixed charge sites, and the 1-n-alkyl-3-methylimidazolium cations (1-ethyl and 1-butyl-), which are polarizable. The partial charge fluctuation of the cations is provided by the electronegativity equalization model (EEM) and a complete parameter set for the cations electronegativity (χ) and hardness (J) is presented. Results obtained from a non-polarizable model for the cations are also reported for comparison. Relative to the fixed charged model, the equilibrium structure of the first solvation shell around the imidazolium cations shows that inclusion of EEM polarization forces brings cations closer to each other and that anions are preferentially distributed above and below the plane of the imidazolium ring. The polarizable model yields faster translational and reorientational dynamics than the fixed charges model in the rotational-diffusion regime. In this sense, the polarizable model dynamics is in better agreement with the experimental data.
Partial Molar Volume of Methanol in Water: Effect of Polarizability
Czech Academy of Sciences Publication Activity Database
Moučka, F.; Nezbeda, Ivo
2009-01-01
Roč. 74, č. 4 (2009), s. 559-563 ISSN 0010-0765 R&D Projects: GA AV ČR IAA400720802 Institutional research plan: CEZ:AV0Z40720504 Keywords : water–methanol mixtures * partial molar volume * polarizability Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.856, year: 2009
Directory of Open Access Journals (Sweden)
Sri Cahyo Wahyono
2017-03-01
Full Text Available Fault is already occurred in Renokenongo, Porong - Sidoarjo. These fault’s have destroyed some building and public facilities. Existence of these fault’s have been detected by using 2D resistivity method. In this research, measurement of 2D resistivity is conducted by using Dipole-Dipole configuration. Configuration has been done in two lines. The first line is length of measurement 200 meters and direction E 98° S and second line the path lenght of 120 meters and direction N 50 E. From the resistivity section, position of fault is founded. For first line, position of fault stays at point 25; 43; 57; 97,5; 110 and 136 m. While for second line position of fault stays at point 33; 50 and 100 m.
Dipoles, unintentional antennas and EMC
Directory of Open Access Journals (Sweden)
Berend Danker
2008-01-01
Full Text Available Radiated emissions from equipment commonly originate from electronic circuits that act as electric dipoles created by the signal voltage between the signal conductors or as magnetic dipoles formed by the signal current flowing in a loop. Direct emission is mostly small, but circuits often couple to long conductors or large wiring loops which act as antennas and are efficient radiators. A comparable situation exists when short dipole antennas or small wiring loops receive ambient noise (susceptibility. Usually the amplitude of noise sources or the susceptibility of circuits is an invariable. The dipole strength increases with the distance between the conductors and the area. Shielding and proper grounding decreases the interaction via unintentional antennas. Short-circuiting and the insertion of lossy ferrite cores reduce the efficiency of unintentional antennas.
Long-term dipole-dipole resistivity monitoring at the Cerro Prieto geothermal field
Energy Technology Data Exchange (ETDEWEB)
Wilt, M.; Goldstein, N.E.; Sasaki, Y.
1984-04-01
Dipole-dipole resistivity measurements for the combined purposes of reservoir delineation and reservoir monitoring were first made at Cerro Prieto in 1978 and have continued on approximately an annual basis since then. Two 20 km-long dipole-dipole lines with permanently emplaced electrodes at 1-km spacings were established over the field area. Resistivity remeasurements have been made on one line at 6- to 18-month intervals using a 25 kW generator capable of up to 80A output and a microprocessor-controlled signal-averaging receiver. This high-power, low-noise system provides highly accurate measurements even at large transmitter receiver separations. Standard error calculations for collected data indicate errors less than 5% for all points. Results from four years of monitoring (1979-1983) indicate a 5% average annual increase in apparent resistivity over the present production area, and larger decreases in apparent resistivity in the region to the east. The increase in resistivity in the production zone is most likely due to dilution of reservoir fluids with fresher water, as evidenced by a drop in chloride content of produced waters. The area of decreasing resistivity east of the reservoir is associated with a steeply dipping conductive body, a zone of higher thermal gradients and an increase in shale thickness in the section. Decreasing resistivity in this area may be caused by an influx of high temperature, saline water from depths of 3/sup +/ km through a sandy gap in the shales.
Possible displacement of mercury's dipole
International Nuclear Information System (INIS)
Ng, K.H.; Beard, D.B.
1979-01-01
Earlier attempts to model the Hermean magnetospheric field based on a planet-centered magnetic multipole field have required the addition of a quadrupole moment to obtain a good fit to space vehicle observations. In this work we obtain an equally satisfactory fit by assuming a null quadrupole moment and least squares fitting of the displacement of the planetary dipole from the center of the planet. We find a best fit for a dipole displacement from the planet center of 0.033 R/sub m/ away from the solar direction, 0.025 R/sub m/ toward dawn in the magnetic equatorial plane, and 0.189 R/sub m/ northward along the magnetic dipole axis, where R/sub m/ is the planet radius. Therefore the presence of a magnetic quadrupole moment is not ruled out. The compressed dipole field more completely represents the field in the present work than in previous work where the intrinsic quadrupole field was not included in the magnetopause surface and field calculations. Moreover, we have corrected a programing error in previous work in the computation of dipole tilt lambda away from the sun. We find a slight increase for the planet dipole moment of 190γR/sub m/ 3 and a dipole tilt angle lambda away from the sun. We find a slight increase for the planet moment of 190γR/sub m/ 3 and a dipole tilt angle lambda of only 1.2 0 away from the sun. All other parameters are essentially unchanged
The cavity electromagnetic field within the polarizable continuum model of solvation
Energy Technology Data Exchange (ETDEWEB)
Pipolo, Silvio, E-mail: silvio.pipolo@nano.cnr.it [Center S3, CNR Institute of Nanoscience, Modena (Italy); Department of Physics, University of Modena and Reggio Emilia, Modena (Italy); Corni, Stefano, E-mail: stefano.corni@nano.cnr.it [Center S3, CNR Institute of Nanoscience, Modena (Italy); Cammi, Roberto, E-mail: roberto.cammi@unipr.it [Department of Chemistry, Università degli studi di Parma, Parma (Italy)
2014-04-28
Cavity field effects can be defined as the consequences of the solvent polarization induced by the probing electromagnetic field upon spectroscopies of molecules in solution, and enter in the definitions of solute response properties. The polarizable continuum model of solvation (PCM) has been extended in the past years to address the cavity-field issue through the definition of an effective dipole moment that couples to the external electromagnetic field. We present here a rigorous derivation of such cavity-field treatment within the PCM starting from the general radiation-matter Hamiltonian within inhomogeneous dielectrics and recasting the interaction term to a dipolar form within the long wavelength approximation. To this aim we generalize the Göppert-Mayer and Power-Zienau-Woolley gauge transformations, usually applied in vacuo, to the case of a cavity vector potential. Our derivation also allows extending the cavity-field correction in the long-wavelength limit to the velocity gauge through the definition of an effective linear momentum operator. Furthermore, this work sets the basis for the general PCM treatment of the electromagnetic cavity field, capable to describe the radiation-matter interaction in dielectric media beyond the long-wavelength limit, providing also a tool to investigate spectroscopic properties of more complex systems such as molecules close to large nanoparticles.
Huang, Lei; Roux, Benoît
2013-08-13
Classical molecular dynamics (MD) simulations based on atomistic models are increasingly used to study a wide range of biological systems. A prerequisite for meaningful results from such simulations is an accurate molecular mechanical force field. Most biomolecular simulations are currently based on the widely used AMBER and CHARMM force fields, which were parameterized and optimized to cover a small set of basic compounds corresponding to the natural amino acids and nucleic acid bases. Atomic models of additional compounds are commonly generated by analogy to the parameter set of a given force field. While this procedure yields models that are internally consistent, the accuracy of the resulting models can be limited. In this work, we propose a method, General Automated Atomic Model Parameterization (GAAMP), for generating automatically the parameters of atomic models of small molecules using the results from ab initio quantum mechanical (QM) calculations as target data. Force fields that were previously developed for a wide range of model compounds serve as initial guess, although any of the final parameter can be optimized. The electrostatic parameters (partial charges, polarizabilities and shielding) are optimized on the basis of QM electrostatic potential (ESP) and, if applicable, the interaction energies between the compound and water molecules. The soft dihedrals are automatically identified and parameterized by targeting QM dihedral scans as well as the energies of stable conformers. To validate the approach, the solvation free energy is calculated for more than 200 small molecules and MD simulations of 3 different proteins are carried out.
Diffractive open charm production from the dipole model analysis
International Nuclear Information System (INIS)
Luszczak, A.; Golec-Biernat, K.
2009-01-01
The most promising QCD based approach to DIS diffraction is formulated in terms of dipole models. In this analysis, we consider two important parameterizations of the dipole scattering amplitude, called GBW and CGC in which parton saturation results are built in. We present a precise comparison of the results of the dipole models using these two parameterizations with the newest data from HERA. The comparison we performed prompt us to discuss some subtle points of the dipole models, mostly related to the qqg component, and connect them to the approach based on the diffractive parton distributions evolved with the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) equations. Within the latter approach, the diffractive open charm production, which is the main goal of this analysis, is particularly interesting since it is sensitive to a diffractive gluon distribution. Thus, we extracted the diffractive gluon distribution from the dipole model formulae to use it for the computation of the charm contribution to F 2 D . We found good agreement with the HERA data on the diffractive open charm production both for the the gluon distributions from the considered dipole models and the DGLAP fits to HERA data from our earlier analysis for diffractive parton distributions with higher twist. (authors)
Measurement of the charged pion polarizability at COMPASS
International Nuclear Information System (INIS)
Nagel, Thiemo Christian Ingo
2012-01-01
The reaction π - +Z→π - +γ+Z in which a photon is produced by a beam pion scattering off a quasi-real photon of the Coulomb field of the target nucleus is identified experimentally by the tiny magnitude of the momentum transfer to the nucleus. This process gives access to the charged pion polarizabilities α π and β π whose experimental determination constitutes an important test of Chiral Perturbation Theory. In this work, the pion polarizability is obtained as α π =(1.9±0.7 stat. ±0.8 syst. ) x 10 -4 fm 3 from data taken with 190 GeV/c hadron beam provided by SPS to the COMPASS experiment at CERN in November 2009 and under the assumption of α π +β π =0.
Measurement of the charged pion polarizability at COMPASS
Energy Technology Data Exchange (ETDEWEB)
Nagel, Thiemo Christian Ingo
2012-09-26
The reaction {pi}{sup -}+Z{yields}{pi}{sup -}+{gamma}+Z in which a photon is produced by a beam pion scattering off a quasi-real photon of the Coulomb field of the target nucleus is identified experimentally by the tiny magnitude of the momentum transfer to the nucleus. This process gives access to the charged pion polarizabilities {alpha}{sub {pi}} and {beta}{sub {pi}} whose experimental determination constitutes an important test of Chiral Perturbation Theory. In this work, the pion polarizability is obtained as {alpha}{sub {pi}}=(1.9{+-}0.7{sub stat.}{+-}0.8{sub syst.}) x 10{sup -4} fm{sup 3} from data taken with 190 GeV/c hadron beam provided by SPS to the COMPASS experiment at CERN in November 2009 and under the assumption of {alpha}{sub {pi}}+{beta}{sub {pi}}=0.
Polarizability of deformed nuclei and energy shifts in muonic atoms
International Nuclear Information System (INIS)
Nali, P.F.; Quarati, P.
1980-01-01
The polarizability and nuclear-polarization energy shifts of nuclei composed of closed shells plus valence nucleons in muonic atoms have been calculated: the harmonic-oscillator results of the El polarizability and the energy shifts have been corrected by means of a perturbative approach, which takes into account the effects introduced by the deformation Nilsson potential. Furthermore, to take into account the core polarization effect, different harmonic-oscillator parameters for the core and the valence nucleons have been assumed. The energy shifts of a sequence of states occupied by the muon during its atomic electromagnetic cascade for the nuclei 17 O and 17 F, 41 Ca and 41 Sc have been calculated. (author)
Dynamic polarizability of a complex atom in strong laser fields
International Nuclear Information System (INIS)
Rapoport, L.P.; Klinskikh, A.F.; Mordvinov, V.V.
1997-01-01
An asymptotic expansion of the dynamic polarizability of a complex atom in a strong circularly polarized light field is found for the case of high frequencies. The self-consistent approximation of the Hartree-Fock type for the ''atom+field'' system is developed, within the framework of which a numerical calculation of the dynamic polarizability of Ne, Kr, and Ar atoms in a strong radiation field is performed. The strong field effect is shown to manifest itself not only in a change of the energy spectrum and the character of behavior of the wave functions of atomic electrons, but also in a modification of the one-electron self-consistent potential for the atom in the field
Polarizability of π-mesons in the quark confinement model
International Nuclear Information System (INIS)
Avakyan, E.Z.; Avakyan, S.L.; Efimov, G.V.; Ivanov, M.A.
1988-01-01
The electric α π and magnetic β π polarizabilities are calculated in the Quark Confinement Model (QCM). The diagrams with vector, scalar and axial intermediate states are taken into account. It is found that intermediate scalar mesons give an essential contribution to electric and magnetic polarizabilities of pions. The following values for α π and β π are obtained: α π ± =4.06x10 -43 cm 3 ; β π ± =-3.84x10 -43 ; α π 0 =-0.18x10 -43 cm 3 ; β π 0 =1.92x10 -43 cm 3 . The widths of strong (α 0 (980) → πη, f 0 (975) → ππ, ε(730) → ππ) and radiative (α 0 (980), f 0 (980), ε(730) → γγ) decays are calculated. The results are obtained to be in satisfactory agreement with expermental data
Detecting Stealth Dark Matter Directly through Electromagnetic Polarizability.
Appelquist, T; Berkowitz, E; Brower, R C; Buchoff, M I; Fleming, G T; Jin, X-Y; Kiskis, J; Kribs, G D; Neil, E T; Osborn, J C; Rebbi, C; Rinaldi, E; Schaich, D; Schroeder, C; Syritsyn, S; Vranas, P; Weinberg, E; Witzel, O
2015-10-23
We calculate the spin-independent scattering cross section for direct detection that results from the electromagnetic polarizability of a composite scalar "stealth baryon" dark matter candidate, arising from a dark SU(4) confining gauge theory-"stealth dark matter." In the nonrelativistic limit, electromagnetic polarizability proceeds through a dimension-7 interaction leading to a very small scattering cross section for dark matter with weak-scale masses. This represents a lower bound on the scattering cross section for composite dark matter theories with electromagnetically charged constituents. We carry out lattice calculations of the polarizability for the lightest "baryon" states in SU(3) and SU(4) gauge theories using the background field method on quenched configurations. We find the polarizabilities of SU(3) and SU(4) to be comparable (within about 50%) normalized to the stealth baryon mass, which is suggestive for extensions to larger SU(N) groups. The resulting scattering cross sections with a xenon target are shown to be potentially detectable in the dark matter mass range of about 200-700 GeV, where the lower bound is from the existing LUX constraint while the upper bound is the coherent neutrino background. Significant uncertainties in the cross section remain due to the more complicated interaction of the polarizablity operator with nuclear structure; however, the steep dependence on the dark matter mass, 1/m(B)(6), suggests the observable dark matter mass range is not appreciably modified. We briefly highlight collider searches for the mesons in the theory as well as the indirect astrophysical effects that may also provide excellent probes of stealth dark matter.
Experimental Constraints on Polarizability Corrections to Hydrogen Hyperfine Structure
International Nuclear Information System (INIS)
Nazaryan, Vahagn; Carlson, Carl E.; Griffioen, Keith A.
2006-01-01
We present a state-of-the-art evaluation of the polarizability corrections--the inelastic nucleon corrections--to the hydrogen ground-state hyperfine splitting using analytic fits to the most recent data. We find a value Δ pol =1.3±0.3 ppm. This is 1-2 ppm smaller than the value of Δ pol deduced using hyperfine splitting data and elastic nucleon corrections obtained from modern form factor fits
Real and virtual Compton scattering: The nucleon polarizabilities
International Nuclear Information System (INIS)
Downie, E.J.; Fonvieille, H.
2011-01-01
We give an overview of low-energy Compton scattering γ (*) p → γp with a real or virtual incoming photon. These processes allow the investigation of one of the fundamental properties of the nucleon, i.e. how its internal structure deforms under an applied static electromagnetic field. Our knowledge of nucleon polarizabilities and their generalization to non-zero four-momentum transfer will be reviewed, including the presently ongoing experiments and future perspectives. (authors)
Modeling Electronic Circular Dichroism within the Polarizable Embedding Approach
DEFF Research Database (Denmark)
Nørby, Morten S; Olsen, Jógvan Magnus Haugaard; Steinmann, Casper
2017-01-01
We present a systematic investigation of the key components needed to model single chromophore electronic circular dichroism (ECD) within the polarizable embedding (PE) approach. By relying on accurate forms of the embedding potential, where especially the inclusion of local field effects...... are in focus, we show that qualitative agreement between rotatory strength parameters calculated by full quantum mechanical calculations and the more efficient embedding calculations can be obtained. An important aspect in the computation of reliable absorption parameters is the need for conformational...
1974-01-01
Stacks of SPS Dipole Magnets ready for installation in the tunnel. The SPS uses a separated function lattice with dipoles for bending and quadrupoles for focusing. The 6.2 m long normal conducting dipoles are of H-type with coils that are bent-up at the ends. There are two types, B1 (total of 360) and B2 (384). Both are for a maximum field of 1.8 Tesla and have the same outer dimensions (450x800 mm2 vxh) but with different gaps (B1: 39x129 mm2, B2: 52x92 mm2) tailored to the beam size. The yoke, made of 1.5 mm thick laminations, consists of an upper and a lower half joined together in the median plane once the coils have been inserted.
Vorticity dynamics of a dipole colliding with a no-slip wall
Kramer, W.; Clercx, H.J.H.; van Heijst, G.J.F.
2007-01-01
The active role of vorticity in the collision of a Lamb-like dipole with a no-slip wall is studied for Re values ranging between 625 and 20000. The initial approach of the dipole does not differ from the stress-free case or from a point-vortex model that incorporates the diffusive growth of the
Matsumoto, Mitsuhiro; Koibuchi, Sae; Hayashi, Naoki
2007-04-15
Imogolite synthesized from sodium orthosilicate and aluminum trichloride was fractionated into four fractions by centrifuging at 12,000 x g (1h). The supernatant, which did not deposit by three times centrifugations, was used for all measurements. The signal of birefringence under a reversing electric pulse showed that the permanent dipole moment is negligibly small at low fields. The electric birefringence under a rectangular electric pulse is positive. The saturated value is proportional to the concentration of imogolite in the range of 0-0.1mg/ml and decreases rapidly with an increase of added salt concentration for NaCl and AgNO(3). It slightly depends on the pH of solution and is biggest in pure water. Then we have determined the anisotropy of electric polarizability (Deltaalpha) for imogolite in pure water at 0.05 mg/ml. Deltaalpha we obtained from the method decreases rapidly at low fields and slowly at high fields as shown in references [M. Matsumoto, Colloids Surf. A 148 (1999) 75, M. Matsumoto, Biophys. Chem. 58 (1996) 173]. It is approximately shown by the following expression, Deltaalpha=Deltaalpha(infinity)+(Deltaalpha(0)-Deltaalpha(infinity))/(1+KE), (Deltaalpha(0):Deltaalpha at E=0, Deltaalpha(infinity):Deltaalpha at E=infinity). Using this relation we can draw the curve of electric birefringence as a function of electric field and compare it with experimental values. The results, when Deltaalpha(0)=1.17x10(-28)Fm(2), Deltaalpha(infinity)=0.005x10(-28)Fm(2) and K=0.00031 m/V, are in good agreement with each other. In order to explain the reason why the anisotropy of electric polarizability rapidly decreases with an increase of electric field we propose that the difference of electrophoretic mobility between parts of colloidal particle causes the orientation of a rod like particle. The theoretical electric birefringence as a function of electric field we obtained is considerably in good agreement with the experimental values.
International Nuclear Information System (INIS)
Zinszer, A.; Pidcoe, S.; Spann, K.
1992-01-01
A transport system has been developed to move major magnet subassemblies between tool stations. The need existed to find a more efficient solution than overhead cranes to handle large parts. The argument against overhead cranes includes safety concerns, work disruption, particulate contamination and meeting the assembly rate requirements of ten magnets per day. The shuttle transport system represents a major effort of coordination between the various tool suppliers and General Dynamics to design a universal device capable of bridging the gap from single wound coils to a complete CDM. Effort was directed to systematically minimize material handling and related equipment by interfacing a completed assembly directly into the next work station or tool without losing its orientation or changing pickup points. The shuttle transport system is made up of a common transport device which can automatically go to any preprogrammed address on the factory floor. Each station has unique attachment tooling which can interface with the shuttle and the next assembly station. The shuttle can also circulate attachment tools back to their point of origin. Additional benefits of this system include inherent part protection, flow control, reduced banking or inventory, and potential for automatic control
Sound pressure around dipole source above porous surface.
Prezelj, Jurij; Steblaj, Peter; Cudina, Mirko
2014-06-01
A technique for in situ measurements of acoustic properties of a fibrous porous material is proposed in this paper. Proposed technique exploits a directivity pattern of a dipole source in its very near field. Theoretical analysis for the proposed technique is based on the Rayleigh integral with a complex reflection included. Results are compared with results of FEM analysis and show that flow resistivity of a porous material placed in the very near field of the dipole source has significant influence on the sound pressure at its ring. Results provide an excellent starting point for the design of the sensor for sound absorption.
Dipole location using SQUID based measurements: Application to magnetocardiography
Mariyappa, N.; Parasakthi, C.; Sengottuvel, S.; Gireesan, K.; Patel, Rajesh; Janawadkar, M. P.; Sundar, C. S.; Radhakrishnan, T. S.
2012-07-01
We report a method of inferring the dipole location using iterative nonlinear least square optimization based on Levenberg-Marquardt algorithm, wherein, we use different sets of pseudo-random numbers as initial parameter values. The method has been applied to (i) the simulated data representing the calculated magnetic field distribution produced by a point dipole placed at a known position, (ii) the experimental data from SQUID based measurements of the magnetic field distribution produced by a source coil carrying current, and (iii) the actual experimentally measured magnetocardiograms of human subjects using a SQUID based system.
International Nuclear Information System (INIS)
McInturff, A.D.; Bossert, R.; Carson, J.; Fisk, H.E.; Hanft, R.; Kuchnir, M.; Lundy, R.; Mantech, P.; Strait, J.
1986-01-01
The results obtained during the evolution of the design, construction, and testing program of the design ''B'' dipole are presented here. Design ''B'' is one of the original three competing designs for the Superconducting Super Collider ''SSC'' arc dipoles. The final design parameters were as follows: air cored (less than a few percent of the magnetic field derived from any iron present), aluminum collared, two layered winding, 5.5T maximum operating field, and a 5 cm cold aperture. There have been fourteen 64 cm long 5 cm aperture model dipoles cold tested (at 4.3K and less) in this program so far. There was a half length full size (6m) mechanical analog (M-10) built and tested to check the cryostat's mechanical design under ramping and quench conditions. Several deviations from the ''Tevatron'' dipole fabrication technique were incorporated, for example the use of aluminum collars instead of stainless steel. The winding technique variations explored were ''dry welding,'' a technique with the cable covered with Kapton insulation only and ''wet winding'' where the Kapton was covered with a light coat of ''B'' stage epoxy. Test data include quench currents, field quality (Fourier multipole co-efficients), coil magnetization, conductor current performance, and coil loading. Quench current, loss per cycle, and harmonics were measured as a function of the magnitude and rate of change of the magnetic field, and helium bath temperature
Maximilien Brice
2002-01-01
The last of the 3280 dipole magnets from the Large Electron-Positron (LEP) collider is seen on its journey to the surface on 12 February 2002. The LEP era, which began at CERN in 1989 and ended 2000, comes to an end.
Particle electric dipole-moments
Energy Technology Data Exchange (ETDEWEB)
Pendlebury, J.M. [Sussex Univ., Brighton (United Kingdom)
1997-04-01
The incentive to detect particle electric dipole-moments, as a window on time-reversal violation, remains undiminished. Efforts to improve the measurements for the neutron, the electron and some nuclei are still making rapid progress as more powerful experimental methods are brought to bear. A new measurement for the neutron at ILL is presented. (author). 7 refs.
Physical Principles of Development of the State Standard of Biological Cell Polarizability
Shuvalov, G. V.; Generalov, K. V.; Generalov, V. M.; Kruchinina, M. V.; Koptev, E. S.; Minin, O. V.; Minin, I. V.
2018-03-01
A new state standard of biological cell polarizability based on micron-size latex particles has been developed. As a standard material, it is suggested to use polystyrene. Values of the polarizability calculated for erythrocytes and values of the polarizability of micron-size spherical latex particles measured with measuring-computing complexes agree within the limits of satisfactory relative error. The Standard allows one the unit of polarizability measurements [m3] to be assigned to cells and erythrocytes for the needs of medicine.
Chiral model predictions for electromagnetic polarizabilities of the nucleon: A 'consumer report'
International Nuclear Information System (INIS)
Broniowski, W.
1992-01-01
This contribution has two parts: (1) The author critically discusses predictions for the electromagnetic polarizabilities of the nucleon obtained in two different approaches: (a) hedgehog models (HM), such as Skyrmions, chiral quark models, hybrid bags, NJL etc., and (b) chiral perturbation theory (χPT). (2) The author shows new results obtained in HM: N c -counting of polarizabilities, splitting of the neutron and proton polarizabilities (he argues that α n > α p in models with pionic clouds), relevance of dispersive terms in the magnetic polarizability β, important role of the Δ resonance in pionic loops, and the effects of non-minimal substitution terms in the effective lagrangian. 3 refs
Multiscale dipole relaxation in dielectric materials
DEFF Research Database (Denmark)
Hansen, Jesper Schmidt
2016-01-01
Dipole relaxation from thermally induced perturbations is investigated on different length scales for dielectric materials. From the continuum dynamical equations for the polarisation, expressions for the transverse and longitudinal dipole autocorrelation functions are derived in the limit where...
Theoretical Expectations for the Muon's Electric Dipole Moment
Feng, J L; Shadmi, Y; Feng, Jonathan L; Matchev, Konstantin T.; Shadmi, Yael
2001-01-01
We examine the muon's electric dipole moment $\\dmu$ from a variety of theoretical perspectives. We point out that the reported deviation in the muon's g-2 can be due partially or even entirely to a new physics contribution to the muon's {\\em electric} dipole moment. In fact, the recent g-2 measurement provides the most stringent bound on $\\dmu$ to date. This ambiguity could be definitively resolved by the dedicated search for $\\dmu$ recently proposed. We then consider both model-independent and supersymmetric frameworks. Under the assumptions of scalar degeneracy, proportionality, and flavor conservation, the theoretical expectations for $\\dmu$ in supersymmetry fall just below the proposed sensitivity. However, non-degeneracy can give an order of magnitude enhancement, and lepton flavor violation can lead to $\\dmu$ of order $10^{-22}$ e cm, two orders of magnitude above the sensitivity of the $\\dmu$ experiment. We present compact expressions for leptonic dipole moments and lepton flavor violating amplitudes. ...
Valence Topological Charge-Transfer Indices for Dipole Moments
Directory of Open Access Journals (Sweden)
Francisco Torrens
2003-01-01
Full Text Available New valence topological charge-transfer indices are applied to the calculation of dipole moments. The algebraic and vector semisum charge-transfer indices are defined. The combination of the charge-transfer indices allows the estimation of the dipole moments. The model is generalized for molecules with heteroatoms. The ability of the indices for the description of the molecular charge distribution is established by comparing them with the dipole moments of a homologous series of phenyl alcohols. Linear and non-linear correlation models are obtained. The new charge-transfer indices improve the multivariable non-linear regression equations for the dipole moment. When comparing with previous results, the variance decreases 92%. No superposition of the corresponding GkÃ¢Â€Â“Jk and GkV Ã¢Â€Â“ JkV pairs is observed. This diminishes the risk of co-linearity. Inclusion of the oxygen atom in the p-electron system is beneficial for the description of the dipole moment, owing to either the role of the additional p orbitals provided by the heteroatom or the role of steric factors in the p-electron conjugation. Linear and non-linear correlations between the fractal dimension and various descriptors point not only to a homogeneous molecular structure but also to the ability to predict and tailor drug properties.
1986-06-20
modifying a 4 Tesla superconducting dipole magnet system, supplied by DOE from the ESCAR Magnet Program, to a warm bore con- figuration. The modified...Fauchen-Villeplee, Canons Electrique , Paris, 1920. -. ’’. 2. S.C. Rashleigh and R.A. Marshall, J. Appl. Phys. 49, 2540 (1978). 3. R.S. Hawke, A.L...spectral quantities for large molecules. The dipole moment and static polarizability of a molecule can be obtained by differentiating the energy with
Kalugina, Yulia N.; Roy, Pierre-Nicholas
2017-12-01
We present a five-dimensional potential energy surface (PES) for the HF@C60 system computed at the DF-LMP2/cc-pVTZ level of theory. We also calculated a five-dimensional dipole moment surface (DMS) based on DFT(PBE0)/cc-pVTZ calculations. The HF and C60 molecules are considered rigid with bond length rHF = 0.9255 Å (gas phase ground rovibrational state geometry). The C60 geometry is of Ih symmetry. The ab initio points were fitted to obtain a PES in terms of bipolar spherical harmonics. The minimum of the PES corresponds to a geometry where the center of mass of HF is located 0.11 Å away from the center of the cage with an interaction energy of -6.929 kcal/mol. The DMS was also represented in terms of bipolar spherical harmonics. The PES was used to calculate the rotation-translation bound states of HF@C60, and good agreement was found relative to the available experimental data [A. Krachmalnicoff et al., Nat. Chem. 8, 953 (2016)] except for the splitting of the first rotational excitation levels. We propose an empirical adjustment to the PES in order to account for the experimentally observed symmetry breaking. The form of that effective PES is additive. We also propose an effective Hamiltonian with an adjusted rotational constant in order to quantitatively reproduce the experimental results including the splitting of the first rotational state. We use our models to compute the molecular volume polarizability of HF confined by C60 and obtain good agreement with experiment.
Czech Academy of Sciences Publication Activity Database
Předota, Milan; Cummings, P. T.; Chialvo, A. A.
2002-01-01
Roč. 100, č. 16 (2002), s. 2703-2717 ISSN 0026-8976 Grant - others:DE(US) AC05-00OR22725 Keywords : polarization interaction * Monte Carlo Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.617, year: 2002
Dynamics of a nonlinear dipole vortex
DEFF Research Database (Denmark)
Hesthaven, J.S.; Lynov, Jens-Peter; Nielsen, A.H.
1995-01-01
A localized stationary dipole solution to the Euler equations with a relationship between the vorticity and streamfunction given as omega=-psi+psi(3) is presented. By numerical integration of the Euler equations this dipole is shown to be unstable. However, the initially unstable dipole reorganiz...
Descent of the last LHC dipole magnet
Maximilien Brice
2007-01-01
The last of 1746 superconducting magnets is lowered into the LHC tunnel via a specially constructed pit at 12:00 on 26 April. This 15-m long dipole magnet is one of 1232 dipoles positioned around the 27-km circumference of the collider. Dipole magnets produce a magnetic field that bends the particle beams around the circular accelerator.
Cooperatively enhanced dipole forces from artificial atoms in trapped nanodiamonds
Juan, Mathieu L.; Bradac, Carlo; Besga, Benjamin; Johnsson, Mattias; Brennen, Gavin; Molina-Terriza, Gabriel; Volz, Thomas
2017-03-01
Optical trapping is a powerful tool to manipulate small particles, from micrometre-size beads in liquid environments to single atoms in vacuum. The trapping mechanism relies on the interaction between a dipole and the electric field of laser light. In atom trapping, the dominant contribution to the associated force typically comes from the allowed optical transition closest to the laser wavelength, whereas for mesoscopic particles it is given by the polarizability of the bulk material. Here, we show that for nanoscale diamond crystals containing a large number of artificial atoms, nitrogen-vacancy colour centres, the contributions from both the nanodiamond and the colour centres to the optical trapping strength can be simultaneously observed in a noisy liquid environment. For wavelengths around the zero-phonon line transition of the colour centres, we observe a 10% increase of overall trapping strength. The magnitude of this effect suggests that due to the large density of centres, cooperative effects between the artificial atoms contribute to the observed modification of the trapping strength. Our approach may enable the study of cooperativity in nanoscale solid-state systems and the use of atomic physics techniques in the field of nano-manipulation.
Dipole and spin-dipole strength distributions in isotopes
Indian Academy of Sciences (India)
Necla Cakmak
2018-01-03
Jan 3, 2018 ... and 14 and the giant resonances in the energy region of. 19–27 MeV were found to be predominantly excited by. L = 1 transition [19]. Also, the angular distributions of double differential cross-section were measured for. 40Ca(p, p ) reaction at 319 MeV [20]. The spin-dipole resonance has a total measured ...
International Nuclear Information System (INIS)
Simmons, M.; Safronova, M. S.; Safronova, U. I.
2011-01-01
Excitation energies of the [Xe]4f 14 5d 10 ns, [Xe]4f 14 5d 10 np j , [Xe]4f 14 5d 10 nd j , [Xe]4f 14 5d 10 n ' f j , and [Xe]4f 14 5d 10 n ' g j states in Hg + are evaluated (n≤10, n ' ≤9, and [Xe]=1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 4p 6 4d 10 5s 2 5p 6 ). First-, second-, third-, and all-order Coulomb energies and first- and second-order Coulomb-Breit energies are calculated. Reduced matrix elements, oscillator strengths, and transition rates are determined for electric-dipole transitions, including the ns (n=6-11), np (n=6-10), nd (n=6-10), nf (n=5-9), and ng (n=5-9) states. Lifetime values are determined for all above-mentioned states. The ground state E1, E2, and E3 polarizabilities are evaluated. The hyperfine structure in 199 Hg + and 201 Hg + ions is investigated. The hyperfine A and B values are determined for the first low-lying levels up to n = 7. The quadratic Stark effect on hyperfine structure levels of 199 Hg + and 201 Hg + ground states is investigated. The calculated shift for the 199 Hg + (F = 1, M = 0) ↔ (F = 0, M = 0) transition is -0.0597(2) Hz/(kV/cm) 2 , in agreement with previous theoretical result -0.060(3) Hz/(kV/cm) 2 . These calculations provide a theoretical benchmark for comparison with experiment and theory and provide values of blackbody radiation shifts for microwave frequency standards with 199 Hg + and 201 Hg + ions.
Polarizability expressions for predicting resonances in plasmonic and Mie scatterers
Colom, Rémi; Devilez, Alexis; Enoch, Stefan; Stout, Brian; Bonod, Nicolas
2017-06-01
Polarizability expressions are commonly used in optics and photonics to model light scattering by small particles. Models based on Taylor series of the scattering coefficients of the particles fail to predict the morphologic resonances hosted by dielectric particles. Here we propose to use the factorization of the special functions appearing in the expression of the Mie scattering coefficients to derive pointlike models. These models can be applied to reproduce both Mie resonances of dielectric particles and plasmonic resonances of metallic particles. They provide simple but robust tools to predict accurately the electric and magnetic Mie resonances in dielectric particles.
Calculations of polarizabilities and hyperpolarizabilities for the Be+ ion
International Nuclear Information System (INIS)
Tang Liyan; Zhang Junyi; Mitroy, J.; Yan Zongchao; Shi Tingyun; Babb, James F.
2009-01-01
The polarizabilities and hyperpolarizabilities of the Be + ion in the 2 2 S state and the 2 2 P state are determined. Calculations are performed using two independent methods: (i) variationally determined wave functions using Hylleraas basis set expansions and (ii) single electron calculations utilizing a frozen-core Hamiltonian. The first few parameters in the long-range interaction potential between a Be + ion and a H, He, or Li atom, and the leading parameters of the effective potential for the high-L Rydberg states of beryllium were also computed. All the values reported are the results of calculations close to convergence. Comparisons are made with published results where available.
Directory of Open Access Journals (Sweden)
Skorupski Krzysztof
2015-03-01
Full Text Available BC (Black Carbon, which can be found in the atmosphere, is characterized by a large value of the imaginary part of the complex refractive index and, therefore, might have an impact on the global warming effect. To study the interaction of BC with light often computer simulations are used. One of the methods, which are capable of performing light scattering simulations by any shape, is DDA (Discrete Dipole Approximation. In this work its accuracy was estimated in respect to BC structures using the latest stable version of the ADDA (vr. 1.2 algorithm. As the reference algorithm the GMM (Generalized Multiparticle Mie-Solution code was used. The study shows that the number of volume elements (dipoles is the main parameter that defines the quality of results. However, they can be improved by a proper polarizability expression. The most accurate, and least time consuming, simulations were observed for IGT_SO. When an aggregate consists of particles composed of ca. 750 volume elements (dipoles, the averaged relative extinction error should not exceed ca. 4.5%.
Technology of superconducting accelerator dipoles
International Nuclear Information System (INIS)
Hassenzahl, W.V.; Meuser, R.B.; Taylor, C.
1983-06-01
We discuss accelerator dipoles and their characteristics. Other types of magnets, in particular bubble chamber magnets have been quite successful. Their performance is based on cryogenic stability which is addressed only briefly in this chapter. This type of stability is not available to the accelerator designer because of the large quantities of copper or other stabilizer that would reduce the current density in the windings to an unacceptably low value
Aperture measurements with AC dipole
Fuster Martinez, Nuria; Dilly, Joschua Werner; Nevay, Laurence James; Bruce, Roderik; Tomas Garcia, Rogelio; Redaelli, Stefano; Persson, Tobias Hakan Bjorn; CERN. Geneva. ATS Department
2018-01-01
During the MDs performed on the 15th of September and 29th of November 2017, we measured the LHC global aperture at injection with a new AC dipole method as well as using the Transverse Damper (ADT) blow-up method used during the 2017 LHC commissioning for benchmarking. In this note, the MD procedure is presented as well as the analysis of the comparison between the two methods. The possible beneﬁts of the new method are discussed.
A novel inversion scheme for a magnetic dipole
International Nuclear Information System (INIS)
Koka, S.; Valsakumar, M.C.; Janawadkar, M.P.; Radhakrishnan, T.S.
1997-01-01
In a number of applications of SQUID devices such as biomagnetism, there is a need to infer the position and strength of the source(s) of the magnetic field on the basis of measurements of magnetic fields H and magnetic field gradients δH j /δx k at suitable observation point(s). It is well known that while a specification of sources uniquely determines the resulting field distribution, the inverse problem, in general, does not admit of a unique solution. However, there exist circumstances under which the source may be modeled reasonably well as a single magnetic dipole m. A novel method, which gives a unique solution to localize such a dipole source by measuring all the magnetic field components and their spatial derivatives at a single arbitrary point in space is reported
Weak-field Hall effect and static polarizability of Bloch electrons
Czech Academy of Sciences Publication Activity Database
Středa, Pavel; Jonckheere, T.
2009-01-01
Roč. 79, č. 11 (2009), 115115/1-115115/8 ISSN 1098-0121 R&D Projects: GA ČR GA202/08/0551 Institutional research plan: CEZ:AV0Z10100521 Keywords : Hall effect * magnetization * Bloch electrons electron polarizability * electron polarizability Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.475, year: 2009
The electric double layer at high surface potentials: The influence of excess ion polarizability
Hatlo, M. M.|info:eu-repo/dai/nl/412640678; van Roij, R.H.H.G.|info:eu-repo/dai/nl/152978984; Lue, L.
2012-01-01
By including the excess ion polarizability into the Poisson-Boltzmann theory, we show that the decrease in differential capacitance with voltage, observed for metal electrodes above a threshold potential, can be understood in terms of thickening of the double layer due to ion-induced polarizability
Enhancement of polarizabilities of cylinders with cylinder-slab resonances.
Xiao, Meng; Huang, Xueqin; Liu, H; Chan, C T
2015-02-02
If an object is very small in size compared with the wavelength of light, it does not scatter light efficiently. It is hence difficult to detect a very small object with light. We show using analytic theory as well as full wave numerical calculation that the effective polarizability of a small cylinder can be greatly enhanced by coupling it with a superlens type metamaterial slab. This kind of enhancement is not due to the individual resonance effect of the metamaterial slab, nor due to that of the object, but is caused by a collective resonant mode between the cylinder and the slab. We show that this type of particle-slab resonance which makes a small two-dimensional object much "brighter" is actually closely related to the reverse effect known in the literature as "cloaking by anomalous resonance" which can make a small cylinder undetectable. We also show that the enhancement of polarizability can lead to strongly enhanced electromagnetic forces that can be attractive or repulsive, depending on the material properties of the cylinder.
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.
Laury, Marie L; Wang, Lee-Ping; Pande, Vijay S; Head-Gordon, Teresa; Ponder, Jay W
2015-07-23
A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. An automated procedure, ForceBalance, is used to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimental data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The AMOEBA14 model accurately predicts the temperature of maximum density and qualitatively matches the experimental density curve across temperatures from 249 to 373 K. Excellent agreement is observed for the AMOEBA14 model in comparison to experimental properties as a function of temperature, including the second virial coefficient, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient, and dielectric constant. The viscosity, self-diffusion constant, and surface tension are also well reproduced. In comparison to high-level ab initio results for clusters of 2-20 water molecules, the AMOEBA14 model yields results similar to AMOEBA03 and the direct polarization iAMOEBA models. With advances in computing power, calibration data, and optimization techniques, we recommend the use of the AMOEBA14 water model for future studies employing a polarizable water model.
International Nuclear Information System (INIS)
Hollauer, E.; Nascimento, M.A.C.
1985-01-01
The photoionization cross-section and dynamic polarizability for lithium atom are calculated using a discrete basis set to represent both the bound and the continuum-states of the atom, to construct an approximation to the dynamic polarizability. From the imaginary part of the complex dynamic polarizability one extracts the photoionization cross-section and from its real part the dynamic polarizability. The results are in good agreement with the experiments and other more elaborate calculations (Author) [pt
Narth, Christophe; Lagardère, Louis; Polack, Étienne; Gresh, Nohad; Wang, Qiantao; Bell, David R; Rackers, Joshua A; Ponder, Jay W; Ren, Pengyu Y; Piquemal, Jean-Philip
2016-02-15
We propose a general coupling of the Smooth Particle Mesh Ewald SPME approach for distributed multipoles to a short-range charge penetration correction modifying the charge-charge, charge-dipole and charge-quadrupole energies. Such an approach significantly improves electrostatics when compared to ab initio values and has been calibrated on Symmetry-Adapted Perturbation Theory reference data. Various neutral molecular dimers have been tested and results on the complexes of mono- and divalent cations with a water ligand are also provided. Transferability of the correction is adressed in the context of the implementation of the AMOEBA and SIBFA polarizable force fields in the TINKER-HP software. As the choices of the multipolar distribution are discussed, conclusions are drawn for the future penetration-corrected polarizable force fields highlighting the mandatory need of non-spurious procedures for the obtention of well balanced and physically meaningful distributed moments. Finally, scalability and parallelism of the short-range corrected SPME approach are addressed, demonstrating that the damping function is computationally affordable and accurate for molecular dynamics simulations of complex bio- or bioinorganic systems in periodic boundary conditions. Copyright © 2016 Wiley Periodicals, Inc.
RHIC spin flipper AC dipole controller
Energy Technology Data Exchange (ETDEWEB)
Oddo, P.; Bai, M.; Dawson, C.; Gassner, D.; Harvey, M.; Hayes, T.; Mernick, K.; Minty, M.; Roser, T.; Severino, F.; Smith, K.
2011-03-28
The RHIC Spin Flipper's five high-Q AC dipoles which are driven by a swept frequency waveform require precise control of phase and amplitude during the sweep. This control is achieved using FPGA based feedback controllers. Multiple feedback loops are used to and dynamically tune the magnets. The current implementation and results will be presented. Work on a new spin flipper for RHIC (Relativistic Heavy Ion Collider) incorporating multiple dynamically tuned high-Q AC-dipoles has been developed for RHIC spin-physics experiments. A spin flipper is needed to cancel systematic errors by reversing the spin direction of the two colliding beams multiple times during a store. The spin flipper system consists of four DC-dipole magnets (spin rotators) and five AC-dipole magnets. Multiple AC-dipoles are needed to localize the driven coherent betatron oscillation inside the spin flipper. Operationally the AC-dipoles form two swept frequency bumps that minimize the effect of the AC-dipole dipoles outside of the spin flipper. Both AC bumps operate at the same frequency, but are phase shifted from each other. The AC-dipoles therefore require precise control over amplitude and phase making the implementation of the AC-dipole controller the central challenge.
Computation of induced dipoles in molecular mechanics simulations using graphics processors.
Pratas, Frederico; Sousa, Leonel; Dieterich, Johannes M; Mata, Ricardo A
2012-05-25
In this work, we present a tentative step toward the efficient implementation of polarizable molecular mechanics force fields with GPU acceleration. The computational bottleneck of such applications is found in the treatment of electrostatics, where higher-order multipoles and a self-consistent treatment of polarization effects are needed. We have implemented a GPU accelerated code, based on the Tinker program suite, for the computation of induced dipoles. The largest test system used shows a speedup factor of over 20 for a single precision GPU implementation, when comparing to the serial CPU version. A discussion of the optimization and parametrization steps is included. Comparison between different graphic cards and CPU-GPU embedding is also given. The current work demonstrates the potential usefulness of GPU programming in accelerating this field of applications.
AutoDipole - Automated generation of dipole subtraction terms -
Hasegawa, K.; Moch, S.; Uwer, P.
2010-10-01
We present an automated generation of the subtraction terms for next-to-leading order QCD calculations in the Catani-Seymour dipole formalism. For a given scattering process with n external particles our Mathematica package generates all dipole terms, allowing for both massless and massive dipoles. The numerical evaluation of the subtraction terms proceeds with MadGraph, which provides Fortran code for the necessary scattering amplitudes. Checks of the numerical stability are discussed. Program summaryProgram title: AutoDipole Catalogue identifier: AEGO_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGO_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 138 042 No. of bytes in distributed program, including test data, etc.: 1 117 665 Distribution format: tar.gz Programming language: Mathematica and Fortran Computer: Computers running Mathematica (version 7.0) Operating system: The package should work on every Linux system supported by Mathematica. Detailed tests have been performed on Scientific Linux as supported by DESY and CERN and on openSUSE and Debian. RAM: Depending on the complexity of the problem, recommended at least 128 MB RAM Classification: 11.5 External routines: MadGraph (including HELAS library) available under http://madgraph.hep.uiuc.edu/ or http://madgraph.phys.ucl.ac.be/ or http://madgraph.roma2.infn.it/. A copy of the tar file, MG_ME_SA_V4.4.30, is included in the AutoDipole distribution package. Nature of problem: Computation of next-to-leading order QCD corrections to scattering cross sections, regularization of real emission contributions. Solution method: Catani-Seymour subtraction method for massless and massive partons [1,2]; Numerical evaluation of subtracted matrix elements interfaced to MadGraph [3-5] (stand-alone version) using
Coupling between crossed dipole feeds
DEFF Research Database (Denmark)
Andersen, J.; Schjær-Jacobsen, Hans; Lessow, H.
1974-01-01
as a function of orientation and feeding network properties. The antennas are used as feeds for a parabolic reflector, and the effect of coupling on the secondary fields is analyzed. Especially significant is the polarization loss and it may, to some extent, be reduced by a proper choice of feeding network.......Various effects of coupling between crossed-dipole antennas are analyzed and by using an arbitrary feeding network some generality is preserved. With one cross excited and another cross acting as a parasitic loaded antenna, coupling losses and gain and polarization losses are presented...
Electric and Magnetic Dipole Moments
CERN. Geneva
2005-01-01
The stringent limit on the electric dipole moment of the neutron forced the issue on the strong CP-problem. The most elegant solution of which is the axion field proposed by Peccei and Quinn. The current limit on the QCD parameter theta coming from the limit on the neutron EDM is of order 10-10. I am going to describe the present status on the neutron EDM searches and further prospects on getting down to theta_qcd sensitivity of 10-13 with the new deuteron EDM in storage rings proposal. For completeness the current status and prospects of the muon g-2 experiment will also be given.
Numerical Based Linear Model for Dipole Magnets
Energy Technology Data Exchange (ETDEWEB)
Li,Y.; Krinsky, S.; Rehak, M.
2009-05-04
In this paper, we discuss an algorithm for constructing a numerical linear optics model for dipole magnets from a 3D field map. The difference between the numerical model and K. Brown's analytic approach is investigated and clarified. It was found that the optics distortion due to the dipoles' fringe focusing must be properly taken into account to accurately determine the chromaticities. In NSLS-II, there are normal dipoles with 35-mm gap and dipoles for infrared sources with 90-mm gap. This linear model of the dipole magnets is applied to the NSLS-II lattice design to match optics parameters between the DBA cells having dipoles with different gaps.
Test Results for LHC Insertion Region Dipole Magnets
Muratore, Joseph F; Cozzolino, John P; Ganetis, George; Ghosh, Arup; Gupta, Ramesh C; Harrison, Michael; Kumar-Jain, Animesh; Marone, Andrew; Richard-Plate, Stephen; Schmalzle, Jesse D; Thomas, Richard A; Wanderer, Peter; Willen, Erich; Wu, Kuo-Chen
2005-01-01
The Superconducting Magnet Division at Brookhaven National Laboratory (BNL) has made 20 insertion region dipoles for the Large Hadron Collider (LHC) at CERN. These 9.45 m-long, 8 cm aperture magnets have the same coil design as the arc dipoles now operating in the Relativistic Heavy Ion Collider (RHIC) at BNL and are of single aperture, twin aperture, and double cold mass configurations. They produce fields up to 3.8 T for operation at 7.56 TeV. Eighteen of these magnets have been tested at 4.5 K using either forced flow supercritical helium or liquid helium. The testing was especially important for the twin aperture models, which have the most challenging design. In these, the dipole fields in both apertures point in the same direction, unlike LHC arc dipoles. This paper reports on the results of these tests, including spontaneous quench performance, verification of quench protection heater operation, and magnetic field quality. Magnetic field measurements were done at 4.5K and at room temperature, and warm-...
Muon Dipole Moment Experiments Interpretation and Prospects
Feng, J L; Shadmi, Y; Feng, Jonathan L; Matchev, Konstantin T.; Shadmi, Yael
2001-01-01
We examine the prospects for discovering new physics through muon dipole moments. The current deviation in $g_{\\mu}-2$ may be due entirely to the muon's {\\em electric} dipole moment. We note that the precession frequency in the proposed BNL muon EDM experiment is also subject to a similar ambiguity, but this can be resolved by up-down asymmetry measurements. We then review the theoretical expectations for the muon's electric dipole moment in supersymmetric models.
The ALICE muon spectrometer dipole magnet
Maximilien Brice
2005-01-01
The ALICE detector consists of two large magnets, the huge red solenoid which can be seen on the right, and the blue dipole magnet. The solenoid was used for the L3 experiment when LEP was in use between 1989 and 2000, but the dipole has been built especially for the new ALICE detector. The dipole was successfully tested on 14 July 2005 when it ran at the operating current of 6 kiloamps for 24 hours.
Stochastic resonance in a surface dipole
Energy Technology Data Exchange (ETDEWEB)
Heinsalu, E., E-mail: els@ifisc.uib-csic.es [IFISC, Instituto de Fisica Interdisciplinar y Sistemas Complejos (CSIC-UIB), E-07122 Palma de Mallorca (Spain); National Institute of Chemical Physics and Biophysics, Raevala 10, 15042 Tallinn (Estonia); Patriarca, M. [IFISC, Instituto de Fisica Interdisciplinar y Sistemas Complejos (CSIC-UIB), E-07122 Palma de Mallorca (Spain); National Institute of Chemical Physics and Biophysics, Raevala 10, 15042 Tallinn (Estonia); Marchesoni, F. [Dipartimento di Fisica, Universita di Camerino, I-62032 Camerino (Italy)
2010-10-05
The dynamics of a neutral dipole diffusing on a one-dimensional symmetric periodic substrate is numerically investigated in the presence of an ac electric field. It is observed that the amplitude of the forced oscillations of the dipole can be enhanced by tuning the noise strength, i.e., the substrate temperature. Such a manifestation of stochastic resonance turns out to be extremely sensitive to the mechanical properties of the dipole. This phenomenon has immediate applications in surface physics and nanodevice technology.
Electric dipole moment of diatomic molecules
International Nuclear Information System (INIS)
Rosato, A.
1983-01-01
The electric dipole moment of some diatomic molecules is calculated using the Variational Cellular Method. The results obtained for the CO, HB, HF and LiH molecules are compared with other calculations and with experimental data. It is shown that there is strong dependence of the electric dipole moment with respect to the geometry of the cells. The possibility of fixing the geometry of the problem by giving the experimental value of the dipole moment is discussed. (Author) [pt
Electric dipole moment of diatomic molecules
International Nuclear Information System (INIS)
Rosato, A.
1983-01-01
The electric dipole moment of some diatomic molecules is calculated using the Variational Cellular Method. The results obtained for the molecules CO, HB, HF and LiH are compared with other calculations and with experimental data. It is shown that there is strong dependence of the electric dipole moment with respect to the geometry of the cells. It is discussed the possibility of fixing the geometry of the problem by giving the experimental value of the dipole moment. (Author) [pt
Multipolar Polarizabilities and Hyperpolarizabilities in the Sr Optical Lattice Clock
Porsev, S. G.; Safronova, M. S.; Safronova, U. I.; Kozlov, M. G.
2018-02-01
We address the problem of the lattice Stark shifts in the Sr clock caused by the multipolar M 1 and E 2 atom-field interactions and by the term nonlinear in lattice intensity and determined by the hyperpolarizability. We develop an approach to calculate hyperpolarizabilities for atoms and ions based on a solution of the inhomogeneous equation which allows us to effectively and accurately carry out complete summations over intermediate states. We apply our method to the calculation of the hyperpolarizabilities for the clock states in Sr. We also carry out an accurate calculation of the multipolar polarizabilities for these states at the magic frequency. Understanding these Stark shifts in optical lattice clocks is crucial for further improvement of the clock accuracy.
Technology of producing reliable superconducting dipoles at Fermilab
International Nuclear Information System (INIS)
Fowler, W.B.; Livdahl, P.V.; Tollestrup, A.V.
1976-01-01
During the last few months, several full size prototype dipole magnets for the Fermilab Energy Doubler were successfully tested. This was the result of several concurrent programs in conductor development as well as magnet construction, production, and testing. The present magnets have achieved their design goal. Progress to this point has solved many pitfalls. A description is given of the present technology as well as some of the decisions that led to the present design
Tonchev, A. P.; Tsoneva, N.; Bhatia, C.; Arnold, C. W.; Goriely, S.; Hammond, S. L.; Kelley, J. H.; Kwan, E.; Lenske, H.; Piekarewicz, J.; Raut, R.; Rusev, G.; Shizuma, T.; Tornow, W.
2017-10-01
A high-resolution study of the electromagnetic response of 206Pb below the neutron separation energy is performed using a (γ → ,γ‧) experiment at the HI γ → S facility. Nuclear resonance fluorescence with 100% linearly polarized photon beams is used to measure spins, parities, branching ratios, and decay widths of excited states in 206Pb from 4.9 to 8.1 MeV. The extracted ΣB (E 1) ↑ and ΣB (M 1) ↑ values for the total electric and magnetic dipole strength below the neutron separation energy are 0.9 ± 0.2 e2fm2 and 8.3 ± 2.0 μN2, respectively. These measurements are found to be in very good agreement with the predictions from an energy-density functional (EDF) plus quasiparticle phonon model (QPM). Such a detailed theoretical analysis allows to separate the pygmy dipole resonance from both the tail of the giant dipole resonance and multi-phonon excitations. Combined with earlier photonuclear experiments above the neutron separation energy, one extracts a value for the electric dipole polarizability of 206Pb of αD = 122 ± 10 mb /MeV. When compared to predictions from both the EDF+QPM and accurately calibrated relativistic EDFs, one deduces a range for the neutron-skin thickness of Rskin206 = 0.12- 0.19 fm and a corresponding range for the slope of the symmetry energy of L = 48- 60 MeV. This newly obtained information is also used to estimate the Maxwellian-averaged radiative cross section 205Pb (n , γ)206Pb at 30 keV to be σ = 130 ± 25 mb. The astrophysical impact of this measurement-on both the s-process in stellar nucleosynthesis and on the equation of state of neutron-rich matter-is discussed.
Directory of Open Access Journals (Sweden)
Rita de Cássia de Oliveira Sebastião
2008-01-01
Full Text Available The relationship between the magnetic dipole-dipole potential energy function and its quantum analogue is presented in this work. It is assumed the reader is familiar with the classical expression of the dipolar interaction and has basic knowledge of the quantum mechanics of angular momentum. Except for these two points only elementary steps are involved.
Neutral dipole-dipole dimers: A new field in science
Kosower, Edward M.; Borz, Galina
2018-03-01
Dimer formation with dipole neutralization produces species such as low polarity water (LPW) compatible with hydrophobic surfaces (Phys. Chem. Chem. Phys. 2015, 17, 24895-24900) Dimerization and dipole neutralization occurs for N-methylacetamide on polyethylene, a behavior drastically different from its contortions in acetonitrile on AgBr:AgCl planar crystals (AgX) (ChemPhysChem 2014, 15, 3598-3607). The weak infrared absorption of the amide dimer on polyethylene is shown experimentally. Dimerization of palmitic acid is shown along with some of the many ramifications for intracellular systems. Polyoligomers of water are present on polyethylene surfaces. Some high resolution spectra of three of the polyoligomers of water are shown along with a mechanistic scheme for polyoligomer formation and dissolution. The structures of some of the oligomers are known from spectroscopic studies of water on AgX. The scope of the article begins with PE, generally accepted as hydrophobic. The IR of PE revealed not only that water was present but that it appeared in two forms, oligomers (O) and polyoligomers (PO). How did we recognize what they were? These species had been observed as especially strong "marker" peaks in the spectra1 of water placed on planar AgX, a platform developed by Katzir and his coworkers [6]. But there was a problem: the proximity to PE of oligomers with substantial (calculated) dipole moments and thus polarity, including cyclic hexamers of water (chair and boat forms), the cyclic pentamer, the books I and II, and the cyclic trimer [7a]. Another link was needed, a role perfectly fit by the already cited low polarity water (LPW). The choice was experimentally supported by the detection of low intensity absorption in the bending region.Some important generalities flow from these results. What other dimers might be present in the biological or chemical world? Palmitic acid dimer (PAD) would be a candidate for decreasing the polarity of the acid (PA). Another
Theoretical studies of the global minima and polarizabilities of small lithium clusters
Energy Technology Data Exchange (ETDEWEB)
Hu, Hanshi; Zhao, Ya-Fan; Hammond, Jeffrey R.; Bylaska, Eric J.; Apra, Edoardo; van Dam, Hubertus JJ; Li, Jun; Govind, Niranjan; Kowalski, Karol
2016-01-16
Lithium clusters Lin (n=1-20) have been investigated with density functional theory (DFT) and coupled—cluster (CC) methods. The global-minimum structures are located via an improved basin---hopping algorithm and the lowest energy Lin isomers are confirmed with DFT geometry optimizations, CCSD(T) energy calculations, and by comparing simulated and experimental polarizabilities. The tetrahedral Li4 structure is found to be the basic building block of lithium clusters Lin (n=6-20). Simulated polarizabilities, including thermal effects at room temperature, are in good agreement with measured isotropic polarizabilities.
DEFF Research Database (Denmark)
Christiansen, Peter Leth; Gaididei, Yuri Borisovich; Johansson, M.
1998-01-01
The dynamics of discrete two-dimensional nonlinear Schrodinger models with long-range dispersive interactions is investigated. In particular, we focus on the cases where the dispersion arises from a dipole-dipole interaction, assuming the dipole moments at each lattice site to be aligned either...
Full length prototype SSC dipole test results
International Nuclear Information System (INIS)
Strait, J.; Brown, B.C.; Carson, J.
1987-01-01
Results are presented from tests of the first full length prototype SSC dipole magnet. The cryogenic behavior of the magnet during a slow cooldown to 4.5K and a slow warmup to room temperature has been measured. Magnetic field quality was measured at currents up to 2000 A. Averaged over the body field all harmonics with the exception of b 2 and b 8 are at or within the tolerances specified by the SSC Central Design Group. (The values of b 2 and b 8 result from known design and construction defects which will be be corrected in later magnets.) Using an NMR probe the average body field strength is measured to be 10.283 G/A with point to point variations on the order of one part in 1000. Data are presented on quench behavior of the magnet up to 3500 A (approximately 55% of full field) including longitudinal and transverse velocities for the first 250 msec of the quench
Dipole model slice made in 1994 by Ansaldo. The high magnetic fields needed for guiding particles around the Large Hadron Collider (LHC) ring are created by passing 12’500 amps of current through coils of superconducting wiring. At very low temperatures, superconductors have no electrical resistance and therefore no power loss. The LHC is the largest superconducting installation ever built. The magnetic field must also be extremely uniform. This means the current flowing in the coils has to be very precisely controlled. Indeed, nowhere before has such precision been achieved at such high currents. 50’000 tonnes of steel sheets are used to make the magnet yokes that keep the wiring firmly in place. The yokes constitute approximately 80% of the accelerator's weight and, placed side by side, stretch over 20 km!
Radiation forces in the discrete dipole approximation
Hoekstra, A.G.; Frijlink, M.O.; Waters, L.B.F.M.; Sloot, P.M.A.
2001-01-01
The theory of the discrete-dipole approximation (DDA) for light scattering is extended to allow for the calculation of radiation forces on each dipole in the DDA model. Starting with the theory of Draine and Weingartner [Astrophys. J. 470, 551 (1996)] we derive an expression for the radiation force
Iron saturation control in RHIC dipole magnets
International Nuclear Information System (INIS)
Thompson, P.A.; Gupta, R.C.; Kahn, S.A.; Hahn, H.; Morgan, G.H.; Wanderer, P.J.; Willen, E.
1991-01-01
The Relativistic Heavy Ion Collider (RHIC) will require 360 dipoles of 80 mm bore. This paper discusses the field perturbations produced by the saturation of the yoke iron. Changes have been made to the yoke to reduce these perturbations, in particular, decapole -4 . Measurements and calculations for 6 series of dipole magnets are presented. 2 refs., 2 figs., 1 tab
Electric dipoles on the Bloch sphere
Vutha, Amar C.
2014-01-01
The time evolution of a two-level quantum mechanical system can be geometrically described using the Bloch sphere. By mapping the Bloch sphere evolution onto the dynamics of oscillating electric dipoles, we provide a physically intuitive link between classical electromagnetism and the electric dipole transitions of atomic & molecular physics.
Giant dipole resonance by many levels theory
International Nuclear Information System (INIS)
Mondaini, R.P.
1977-01-01
The many levels theory is applied to photonuclear effect, in particular, in giant dipole resonance. A review about photonuclear dipole absorption, comparing with atomic case is done. The derivation of sum rules; their modifications by introduction of the concepts of effective charges and mass and the Siegert theorem. The experimental distributions are compared with results obtained by curve adjustment. (M.C.K.) [pt
Measurement of the neutron electric dipole moment
International Nuclear Information System (INIS)
Dress, W.B.; Perrin, P.; Miller, P.D.; Pendlebury, J.M.; Ramsey, N.F.
1975-01-01
Experiments have been performed in view of improving the accuracy in measuring the electric dipole moment of the neutron (EDM). This EDM is written as eD where e is the electron charge and D the dipole length. The analysis of the data indicates that /D/ 24 cm with 90% confidence [fr
Final Report: Levitated Dipole Experiment
Energy Technology Data Exchange (ETDEWEB)
Kesner, Jay [Massachusetts Institute of Technology, Cambridge, MA (United States); Mauel, Michael [Columbia Univ., New York, NY (United States)
2013-03-10
Since the very first experiments with the LDX, research progress was rapid and significant. Initial experiments were conducted with the high-field superconducting coil suspended by three thin rods. These experiments produced long-pulse, quasi-steady-state microwave discharges, lasting more than 10 s, having peak beta values of 20% [Garnier et al., Physics of Plasmas, 13 (2006) 056111]. High- beta, near steady-state discharges have been maintained in LDX for more than 20 seconds, and this capability made LDX the longest pulse fusion confinement experiment operating in the U.S. fusion program. A significant measure of progress in the LDX research program was the routine investigation of plasma confinement with a magnetically-levitated dipole and the resulting observations of confinement improvement. In both supported and levitated configurations, detailed measurements were made of discharge evolution, plasma dynamics and instability, and the roles of gas fueling, microwave power deposition profiles, and plasma boundary shape. High-temperature plasma was created by multi frequency electron cyclotron resonance heating at 2.45 GHz, 6.4 GHz, 10.5 GHz and 28 GHz allowing control of heating profiles. Depending upon neutral fueling rates, the LDX discharges contain a fraction of energetic electrons, with mean energies above 50 keV. Depending on whether or not the superconducting dipole was levitated or supported, the peak thermal electron temperature was estimated to exceed 500 eV and peak densities to approach 1e18 m^{-3}. We have found that levitation causes a strong inwards density pinch [Boxer et al., Nature Physics, 6 (2010) 207] and we have observed the central plasma density increase dramatically indicating a significant improvement in the confinement of a thermal plasma species.
High-field dipoles for future accelerators
Energy Technology Data Exchange (ETDEWEB)
Wipf, S.L.
1984-09-01
This report presents the concept for building superconducting accelerator dipoles with record high fields. Economic considerations favor the highest possible current density in the windings. Further discussion indicates that there is an optimal range of pinning strength for a superconducting material and that it is not likely for multifilamentary conductors to ever equal the potential performance of tape conductors. A dipole design with a tape-wound, inner high-field winding is suggested. Methods are detailed to avoid degradation caused by flux jumps and to overcome problems with the dipole ends. Concerns for force support structure and field precision are also addressed. An R and D program leading to a prototype 11-T dipole is outlined. Past and future importance of superconductivity to high-energy physics is evident from a short historical survey. Successful dipoles in the 10- to 20-T range will allow interesting options for upgrading present largest accelerators.
Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities
International Nuclear Information System (INIS)
Stuyver, T.; Fias, S.; De Proft, F.; Geerlings, P.; Fowler, P. W.
2015-01-01
The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability
Conduction of molecular electronic devices: qualitative insights through atom-atom polarizabilities.
Stuyver, T; Fias, S; De Proft, F; Fowler, P W; Geerlings, P
2015-03-07
The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.
Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities
Energy Technology Data Exchange (ETDEWEB)
Stuyver, T.; Fias, S., E-mail: sfias@vub.ac.be; De Proft, F.; Geerlings, P. [ALGC, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussel (Belgium); Fowler, P. W. [Department of Chemistry, University of Sheffield, Sheffield S3 7HF (United Kingdom)
2015-03-07
The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.
Metal-organic materials (MOMs) for adsorption of polarizable gases and methods of using MOMs
Zaworotko, Michael; Mohamed, Mona H.; Elsaidi, Sameh
2017-06-14
Embodiments of the present disclosure provide for multi-component metal-organic materials (MOMs), systems including the MOM, systems for separating components in a gas, methods of separating polarizable gases from a gas mixture, and the like.
The electric polarizability of a particle bound by a one-dimensional ionic crystal
International Nuclear Information System (INIS)
Balderas, Daniel; González, Gabriel
2013-01-01
We consider the problem of a particle confined to a one-dimensional ionic crystal of finite length modeled by repulsive and attractive delta functions and subject to the application of an external constant electric field. Exact expressions for the electric polarizability of the system via the Dalgarno–Lewis technique are obtained in second order perturbation theory. The study uncovers the behavior of the electric polarizability as a function of the number of ions in the system. (paper)
A visualization of null geodesics for the bonnor massive dipole
Directory of Open Access Journals (Sweden)
G. Andree Oliva Mercado
2015-08-01
Full Text Available In this work we simulate null geodesics for the Bonnor massive dipole metric by implementing a symbolic-numerical algorithm in Sage and Python. This program is also capable of visualizing in 3D, in principle, the geodesics for any given metric. Geodesics are launched from a common point, collectively forming a cone of light beams, simulating a solid-angle section of a point source in front of a massive object with a magnetic field. Parallel light beams also were considered, and their bending due to the curvature of the space-time was simulated.
Electrostatic stability of electron-positron plasmas in dipole geometry
Mishchenko, Alexey; Plunk, Gabriel G.; Helander, Per
2018-04-01
The electrostatic stability of electron-positron plasmas is investigated in the point-dipole and Z-pinch limits of dipole geometry. The kinetic dispersion relation for sub-bounce-frequency instabilities is derived and solved. For the zero-Debye-length case, the stability diagram is found to exhibit singular behaviour. However, when the Debye length is non-zero, a fluid mode appears, which resolves the observed singularity, and also demonstrates that both the temperature and density gradients can drive instability. It is concluded that a finite Debye length is necessary to determine the stability boundaries in parameter space. Landau damping is investigated at scales sufficiently smaller than the Debye length, where instability is absent.
Energy Technology Data Exchange (ETDEWEB)
Ganguly, Jayanta [Department of Chemistry, Brahmankhanda Basapara High School, Basapara, Birbhum 731 215, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.com [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)
2014-06-25
Highlights: • Linear polarizability of quantum dot has been studied. • Quantum dot is doped with a repulsive impurity. • The polarizabilities are frequency-dependent. • Influence of Gaussian white noise has been monitored. • Noise exploited is of additive and multiplicative nature. - Abstract: We investigate the profiles of diagonal components of frequency-dependent linear (α{sub xx} and α{sub yy}) optical response of repulsive impurity doped quantum dots. The dopant impurity potential chosen assumes Gaussian form. The study principally puts emphasis on investigating the role of noise on the polarizability components. In view of this we have exploited Gaussian white noise containing additive and multiplicative characteristics (in Stratonovich sense). The frequency-dependent polarizabilities are studied by exposing the doped dot to a periodically oscillating external electric field of given intensity. The oscillation frequency, confinement potentials, dopant location, and above all, the noise characteristics tune the linear polarizability components in a subtle manner. Whereas the additive noise fails to have any impact on the polarizabilities, the multiplicative noise influences them delicately and gives rise to additional interesting features.
Analytical transition-matrix treatment of electric multipole polarizabilities of hydrogen-like atoms
International Nuclear Information System (INIS)
Kharchenko, V.F.
2015-01-01
The direct transition-matrix approach to the description of the electric polarization of the quantum bound system of particles is used to determine the electric multipole polarizabilities of the hydrogen-like atoms. It is shown that in the case of the bound system formed by the Coulomb interaction the corresponding inhomogeneous integral equation determining an off-shell scattering function, which consistently describes virtual multiple scattering, can be solved exactly analytically for all electric multipole polarizabilities. Our method allows to reproduce the known Dalgarno–Lewis formula for electric multipole polarizabilities of the hydrogen atom in the ground state and can also be applied to determine the polarizability of the atom in excited bound states. - Highlights: • A new description for electric polarization of hydrogen-like atoms. • Expression for multipole polarizabilities in terms of off-shell scattering functions. • Derivation of integral equation determining the off-shell scattering function. • Rigorous analytic solving the integral equations both for ground and excited states. • Study of contributions of virtual multiple scattering to electric polarizabilities
International Nuclear Information System (INIS)
Ganguly, Jayanta; Ghosh, Manas
2014-01-01
Highlights: • Linear polarizability of quantum dot has been studied. • Quantum dot is doped with a repulsive impurity. • The polarizabilities are frequency-dependent. • Influence of Gaussian white noise has been monitored. • Noise exploited is of additive and multiplicative nature. - Abstract: We investigate the profiles of diagonal components of frequency-dependent linear (α xx and α yy ) optical response of repulsive impurity doped quantum dots. The dopant impurity potential chosen assumes Gaussian form. The study principally puts emphasis on investigating the role of noise on the polarizability components. In view of this we have exploited Gaussian white noise containing additive and multiplicative characteristics (in Stratonovich sense). The frequency-dependent polarizabilities are studied by exposing the doped dot to a periodically oscillating external electric field of given intensity. The oscillation frequency, confinement potentials, dopant location, and above all, the noise characteristics tune the linear polarizability components in a subtle manner. Whereas the additive noise fails to have any impact on the polarizabilities, the multiplicative noise influences them delicately and gives rise to additional interesting features
Final Report: Levitated Dipole Experiment
Energy Technology Data Exchange (ETDEWEB)
Kesner, Jay; Mauel, Michael
2013-03-10
Since the very first experiments with the LDX, research progress was rapid and significant. Initial experiments were conducted with the high-field superconducting coil suspended by three thin rods. These experiments produced long-pulse, quasi-steady-state microwave discharges, lasting more than 10 s, having peak beta values of 20% [Garnier, Phys. Plasmas, v13, p. 056111, 2006]. High-beta, near steady-state discharges have been maintained in LDX for more than 20 seconds, and this capability makes LDX the longest pulse fusion confinement experiment now operating in the U.S. fusion program. In both supported and levitated configurations, detailed measurements are made of discharge evolution, plasma dynamics and instability, and the roles of gas fueling, microwave power deposition profiles, and plasma boundary shape. High-temperature plasma is created by multifrequency electron cyclotron resonance heating allowing control of heating profiles. Depending upon neutral fueling rates, the LDX discharges contain a fraction of energetic electrons, with mean energies above 50 keV. Depending on whether or not the superconducting dipole is levitated or supported, the peak thermal electron temperature is estimated to exceed 500 eV and peak densities reach 1.0E18 (1/m3). Several significant discoveries resulted from the routine investigation of plasma confinement with a magnetically-levitated dipole. For the first time, toroidal plasma with pressure approaching the pressure of the confining magnetic field was well-confined in steady-state without a toroidal magnetic field. Magnetic levitation proved to be reliable and is now routine. The dipole's cryostat allows up to three hours of "float time" between re-cooling with liquid helium and providing scientists unprecedented access to the physics of magnetizd plasma. Levitation eliminates field-aligned particle sources and sinks and results in a toroidal, magnetically-confined plasma where profiles are determined by cross
Bryce, Richard A
2011-04-01
The ability to accurately predict the interaction of a ligand with its receptor is a key limitation in computer-aided drug design approaches such as virtual screening and de novo design. In this article, we examine current strategies for a physics-based approach to scoring of protein-ligand affinity, as well as outlining recent developments in force fields and quantum chemical techniques. We also consider advances in the development and application of simulation-based free energy methods to study protein-ligand interactions. Fuelled by recent advances in computational algorithms and hardware, there is the opportunity for increased integration of physics-based scoring approaches at earlier stages in computationally guided drug discovery. Specifically, we envisage increased use of implicit solvent models and simulation-based scoring methods as tools for computing the affinities of large virtual ligand libraries. Approaches based on end point simulations and reference potentials allow the application of more advanced potential energy functions to prediction of protein-ligand binding affinities. Comprehensive evaluation of polarizable force fields and quantum mechanical (QM)/molecular mechanical and QM methods in scoring of protein-ligand interactions is required, particularly in their ability to address challenging targets such as metalloproteins and other proteins that make highly polar interactions. Finally, we anticipate increasingly quantitative free energy perturbation and thermodynamic integration methods that are practical for optimization of hits obtained from screened ligand libraries.
Stark effect, polarizability, and electroabsorption in silicon nanocrystals
Bulutay, Ceyhun; Kulakci, Mustafa; Turan, Raşit
2010-03-01
Demonstrating the quantum-confined Stark effect (QCSE) in silicon nanocrystals (NCs) embedded in oxide has been rather elusive, unlike the other materials. Here, the recent experimental data from ion-implanted Si NCs is unambiguously explained within the context of QCSE using an atomistic pseudopotential theory. This further reveals that the majority of the Stark shift comes from the valence states which undergo a level crossing that leads to a nonmonotonic radiative recombination behavior with respect to the applied field. The polarizability of embedded Si NCs including the excitonic effects is extracted over a diameter range of 2.5-6.5 nm, which displays a cubic scaling, α=cDNC3 , with c=2.436×10-11C/(Vm) , where DNC is the NC diameter. Finally, based on intraband electroabsorption analysis, it is predicted that p -doped Si NCs will show substantial voltage tunability, whereas n -doped samples should be almost insensitive. Given the fact that bulk silicon lacks the linear electro-optic effect as being a centrosymmetric crystal, this may offer a viable alternative for electrical modulation using p -doped Si NCs.
Constraints on exotic dipole-dipole couplings between electrons at the micron scale
Kotler, Shlomi; Ozeri, Roee; Jackson Kimball, Derek
2015-05-01
Until recently, the magnetic dipole-dipole coupling between electrons had not been directly observed experimentally. This is because at the atomic scale dipole-dipole coupling is dominated by the exchange interaction and at larger distances the dipole-dipole coupling is overwhelmed by ambient magnetic field noise. In spite of these challenges, the magnetic dipole-dipole interaction between two electron spins separated by 2.4 microns was recently measured using the valence electrons of trapped Strontium ions [S. Kotler, N. Akerman, N. Navon, Y. Glickman, and R. Ozeri, Nature 510, 376 (2014)]. We have used this measurement to directly constrain exotic dipole-dipole interactions between electrons at the micron scale. For light bosons (mass 0.1 eV), we find that coupling constants describing pseudoscalar and axial-vector mediated interactions must be | gPegPe/4 πℏc | <= 1 . 5 × 10-3 and | gAegAe/4 πℏc | <= 1 . 2 × 10-17 , respectively, at the 90% confidence level. These bounds significantly improve on previous constraints in this mass range: for example, the constraints on axial-vector interactions are six orders of magnitude stronger than electron-positron constraints based on positronium spectroscopy. Supported by the National Science Foundation, I-Core: the Israeli excellence center, and the European Research Council.
SSC collider dipole magnet end mechanical design
Energy Technology Data Exchange (ETDEWEB)
Delchamps, S.W.; Bossert, R.C.; Carson, J.; Ewald, K.; Fulton, H.; Kerby, J.; Koska, W.; Strait, J.; Wake, S.M. (Fermi National Accelerator Lab., Batavia, IL (USA)); Leung, K.K. (Superconducting Super Collider Lab., Dallas, TX (USA))
1991-05-01
This paper describes the mechanical design of the ends of Superconducting Super Collider dipole magnets to be constructed and tested at Fermilab. Coil end clamps, end yoke configuration, and end plate design are discussed. Loading of the end plate by axial Lorentz forces is discussed. Relevant data from 40 mm and 50 mm aperture model dipole magnets built and tested at Fermilab are presented. In particular, the apparent influence of end clamp design on the quench behavior of model SSC dipoles is described. 8 refs., 3 figs.
Plasma confinement in a magnetic dipole
International Nuclear Information System (INIS)
Kesner, J.; Bromberg, L.; Garnier, D.; Mauel, M.
2001-01-01
A dipole fusion confinement device is stable to MHD interchange and ballooning modes when the pressure profile is sufficiently gentle. The plasma can be confined at high beta, is steady state and disruption free. Theory indicates that when the pressure gradient is sufficiently gentle to satisfy MHD requirements drift waves will also be stable. The dipole approach is particularly applicable for advanced fuels. A new experimental facility is presently being built to test the stability and transport properties of a dipole-confined plasma. (author)
Plasma confinement in a magnetic dipole
International Nuclear Information System (INIS)
Kesner, J.; Bromberg, L.; Garnier, D.; Mauel, M.
1999-01-01
A dipole fusion confinement device is stable to MHD interchange and ballooning modes when the pressure profile is sufficiently gentle. The plasma can be confined at high beta, is steady state and disruption free. Theory indicates that when the pressure gradient is sufficiently gentle to satisfy MHD requirements drift waves will also be stable. The dipole approach is particularly applicable for advanced fuels. A new experimental facility is presently being built to test the stability and transport properties of a dipole-confined plasma. (author)
The neutron electric dipole moment
International Nuclear Information System (INIS)
He, X.G.; McKellar, B.H.J.; Pakvasa, S.
1989-01-01
A systematic study was made of the electric dipole moment (EDM) of neutron D n in various models of CP violation. It was found that in the standard KM model with 3 families the neutron EDM is in the range 1.4x10 -33 ≤ D n ≤ 1.6x10 -31 ecm; that the two Higgs doublet model has approximately the same value of D n as the standard model; that D n in the Weinberg model is predicted to satisfy D n > 10 -25 ecm; that in a class of left-right symmetric models D n is of the order of 10 -26-11 ecm; that in supersymmetric models D n is of the order 10 -22 φ ecm with φ being the possible phase difference of the phases of gluino mass and the gluino-quark-smark mixing matrix and that the strong CP parameter θ is found to be θ -9 , using the present experimental limit that D n -25 ecm with 90% confidence. 65 refs., 10 figs
Superconducting Coil of Po Dipole
1983-01-01
The Po superconducting dipole was built as a prototype beam transport magnet for the SPS extracted proton beam P0. Its main features were: coil aperture 72 mm, length 5 m, room-temperature yoke, NbTi cable conductor impregnated with solder, nominal field 4.2 T at 4.7 K (87% of critical field). It reached its nominal field without any quench.After this successful test up to its nominal field of 4.2 T, the power was not raised to reach a quench. The magnet was not installed in a beam and had no other further use. Nevertheless its construction provided knowledges and experience which became useful in the design and construction of the LHC magnets. The photo shows a detail of the inner layer winding before superposing the outer layer to form the complete coil of a pole. Worth noticing is the interleaved glass-epoxy sheet (white) with grooved channels for the flow of cooling helium. See also 8211532X.
International Nuclear Information System (INIS)
Sjoeberg, Daniel
2009-01-01
We present four variational principles for the electric and magnetic polarizabilities for a structure consisting of anisotropic media with perfect electric conductor (PEC) inclusions. From these principles, we derive monotonicity results and upper and lower bounds on the electric and magnetic polarizabilities. When computing the polarizabilities numerically, the bounds can be used as error bounds. The variational principles demonstrate important differences between electrostatics and magnetostatics when PEC bodies are present.
International Nuclear Information System (INIS)
Vakulina, E.V.; Maksimenko, N.V.
2017-01-01
Using the relativistic-invariant effective tensor representation of the Lagrangians of the two-photon interaction with hadrons within the Duffin-Kemmer-Petiau formalism, the spin polarizabilities of the spin 1 particles that are characteristic of spin 1/2 hadrons have been determined. Along with this, new spin polarizabilities of spin 1 particles have been determined, that are related to the presence of the tensor polarizabilities.
Electromagnetic moments and electric dipole transitions in carbon isotopes
International Nuclear Information System (INIS)
Suzuki, Toshio; Sagawa, Hiroyuki; Hagino, Kouichi
2003-01-01
We carry out shell model calculations to study electromagnetic moments and electric dipole transitions of C isotopes. We point out the configuration dependence of the quadrupole and magnetic moments of the odd C isotopes, which will be useful to find out the deformations and the spin parities of the ground states of these nuclei. We also study the electric dipole states of C isotopes, focusing on the interplay between low energy pigmy strength and giant dipole resonances. As far as the energies of the resonances are concerned, reasonable agreement is obtained with available experimental data for the photoreaction cross sections in 12 C, 13 C, and 14 C, both in the low energy region below (ℎ/2π)ω=14 MeV and in the high energy giant resonance region (14 MeV 15 C is found to exhaust about 12-16 % of the classical Thomas-Reiche-Kuhn sum rule value and 50-80 % of the cluster sum rule value
Theoretical expectations for the muon's electric dipole moment
International Nuclear Information System (INIS)
Feng, Jonathan L.; Matchev, Konstantin T.; Shadmi, Yael
2001-01-01
We examine the muon's electric dipole moment d μ from a variety of theoretical perspectives. We point out that the reported deviation in the muon's g-2 can be due partially or even entirely to a new physics contribution to the muon's electric dipole moment. In fact, the recent g-2 measurement provides the most stringent bound on d μ to date. This ambiguity could be definitively resolved by the dedicated search for d μ recently proposed. We then consider both model-independent and supersymmetric frameworks. Under the assumptions of scalar degeneracy, proportionality, and flavor conservation, the theoretical expectations for d μ in supersymmetry fall just below the proposed sensitivity. However, nondegeneracy can give an order of magnitude enhancement, and lepton flavor violation can lead to d μ ∼10 -22 e cm, two orders of magnitude above the sensitivity of the d μ experiment. We present compact expressions for leptonic dipole moments and lepton flavor violating amplitudes. We also derive new limits on the amount of flavor violation allowed and demonstrate that approximations previously used to obtain such limits are highly inaccurate in much of parameter space
Acoustic dispersion in a two-dimensional dipole system
International Nuclear Information System (INIS)
Golden, Kenneth I.; Kalman, Gabor J.; Donko, Zoltan; Hartmann, Peter
2008-01-01
We calculate the full density response function and from it the long-wavelength acoustic dispersion for a two-dimensional system of strongly coupled point dipoles interacting through a 1/r 3 potential at arbitrary degeneracy. Such a system has no random-phase-approximation (RPA) limit and the calculation has to include correlations from the outset. We follow the quasilocalized charge (QLC) approach, accompanied by molecular-dynamics (MD) simulations. Similarly to what has been recently reported for the closely spaced classical electron-hole bilayer [G. J. Kalman et al., Phys. Rev. Lett. 98, 236801 (2007)] and in marked contrast to the RPA, we report a long-wavelength acoustic phase velocity that is wholly maintained by particle correlations and varies linearly with the dipole moment p. The oscillation frequency, calculated both in an extended QLC approximation and in the Singwi-Tosi-Land-Sjolander approximation [Phys. Rev. 176, 589 (1968)], is invariant in form over the entire classical to quantum domains all the way down to zero temperature. Based on our classical MD-generated pair distribution function data and on ground-state energy data generated by recent quantum Monte Carlo simulations on a bosonic dipole system [G. E. Astrakharchik et al., Phys. Rev. Lett. 98, 060405 (2007)], there is a good agreement between the QLC approximation kinetic sound speeds and the standard thermodynamic sound speeds in both the classical and quantum domains
Plasmonic functionalities based on detuned electrical dipoles
DEFF Research Database (Denmark)
Pors, Anders Lambertus; Nielsen, Michael Grøndahl; Bozhevolnyi, Sergey I.
2013-01-01
We introduce and demonstrate the concept of detuned electrical dipoles (DED) that originates from the plasmonic realization of the dressed-state picture of electromagnetically induced transparency in atomic physics. Numerically and experimentally analyzing DED metamaterials consisting of unit cells...
Magnetic dipole interactions in crystals
Johnston, David C.
2016-01-01
The influence of magnetic dipole interactions (MDIs) on the magnetic properties of local-moment Heisenberg spin systems is investigated. A general formulation is presented for calculating the eigenvalues λ and eigenvectors μ ̂ of the MDI tensor of the magnetic dipoles in a line (one dimension, 1D), within a circle (2D) or a sphere (3D) of radius r surrounding a given moment μ⃗i for given magnetic propagation vectors k for collinear and coplanar noncollinear magnetic structures on both Bravais and non-Bravais spin lattices. Results are calculated for collinear ordering on 1D chains, 2D square and simple-hexagonal (triangular) Bravais lattices, 2D honeycomb and kagomé non-Bravais lattices, and 3D cubic Bravais lattices. The λ and μ ̂ values are compared with previously reported results. Calculations for collinear ordering on 3D simple tetragonal, body-centered tetragonal, and stacked triangular and honeycomb lattices are presented for c /a ratios from 0.5 to 3 in both graphical and tabular form to facilitate comparison of experimentally determined easy axes of ordering on these Bravais lattices with the predictions for MDIs. Comparisons with the easy axes measured for several illustrative collinear antiferromagnets (AFMs) are given. The calculations are extended to the cycloidal noncollinear 120∘ AFM ordering on the triangular lattice where λ is found to be the same as for collinear AFM ordering with the same k. The angular orientation of the ordered moments in the noncollinear coplanar AFM structure of GdB4 with a distorted stacked 3D Shastry-Sutherland spin-lattice geometry is calculated and found to be in disagreement with experimental observations, indicating the presence of another source of anisotropy. Similar calculations for the undistorted 2D and stacked 3D Shastry-Sutherland lattices are reported. The thermodynamics of dipolar magnets are calculated using the Weiss molecular field theory for quantum spins, including the magnetic transition
Spatiotemporal Bayesian inference dipole analysis for MEG neuroimaging data.
Jun, Sung C; George, John S; Paré-Blagoev, Juliana; Plis, Sergey M; Ranken, Doug M; Schmidt, David M; Wood, C C
2005-10-15
Recently, we described a Bayesian inference approach to the MEG/EEG inverse problem that used numerical techniques to estimate the full posterior probability distributions of likely solutions upon which all inferences were based [Schmidt, D.M., George, J.S., Wood, C.C., 1999. Bayesian inference applied to the electromagnetic inverse problem. Human Brain Mapping 7, 195; Schmidt, D.M., George, J.S., Ranken, D.M., Wood, C.C., 2001. Spatial-temporal bayesian inference for MEG/EEG. In: Nenonen, J., Ilmoniemi, R. J., Katila, T. (Eds.), Biomag 2000: 12th International Conference on Biomagnetism. Espoo, Norway, p. 671]. Schmidt et al. (1999) focused on the analysis of data at a single point in time employing an extended region source model. They subsequently extended their work to a spatiotemporal Bayesian inference analysis of the full spatiotemporal MEG/EEG data set. Here, we formulate spatiotemporal Bayesian inference analysis using a multi-dipole model of neural activity. This approach is faster than the extended region model, does not require use of the subject's anatomical information, does not require prior determination of the number of dipoles, and yields quantitative probabilistic inferences. In addition, we have incorporated the ability to handle much more complex and realistic estimates of the background noise, which may be represented as a sum of Kronecker products of temporal and spatial noise covariance components. This reduces the effects of undermodeling noise. In order to reduce the rigidity of the multi-dipole formulation which commonly causes problems due to multiple local minima, we treat the given covariance of the background as uncertain and marginalize over it in the analysis. Markov Chain Monte Carlo (MCMC) was used to sample the many possible likely solutions. The spatiotemporal Bayesian dipole analysis is demonstrated using simulated and empirical whole-head MEG data.
High-precision measurements and theoretical calculations of indium excited-state polarizabilities
Vilas, N. B.; Wang, B.-Y.; Rupasinghe, P. M.; Maser, D. L.; Safronova, M. S.; Safronova, U. I.; Majumder, P. K.
2018-02-01
We report measurements of the scalar and tensor static polarizabilities of the 115In7 p1 /2 and 7 p3 /2 excited states using two-step diode laser spectroscopy in an atomic beam. These scalar polarizabilities are one to two orders of magnitude larger than for lower-lying indium states due to the close proximity of the 7 p and 6 d states. For the scalar polarizabilities, we find values (in atomic units) of 1.811 (4 ) ×105a03 and 2.876 (6 ) ×105a03 for the 7 p1 /2 and 7 p3 /2 states, respectively. We determine the tensor polarizability component of the 7 p3 /2 state to be -1.43 (18 ) ×104a03 . These measurements set high-precision benchmarks of the transition properties for highly excited states in trivalent atomic systems. We also present ab initio calculations of these quantities and other In polarizabilities using two high-precision relativistic methods to make a global comparison of the accuracies of the two approaches. The precision of the experiment is sufficient to differentiate between the two theoretical methods as well as to allow precise determination of the indium 7 p -6 d matrix elements. The results obtained in this paper are applicable to other heavier and more complicated systems, and provide much needed guidance for the development of even more precise theoretical approaches.
Polarizable crystals in apocrine sweat gland tumors: A series of 3 cases.
Johnson, Gina; Gardner, Jerad M; Shalin, Sara C
2017-08-01
Polarizable calcium oxalate (CaOx) crystals have been well documented in breast biopsies, generally associated with benign apocrine metaplasia. In contrast, polarizable crystals are only rarely reported in skin adnexal neoplasms. We report 3 different cases of sweat gland tumors with polarizable crystals morphologically suggestive of CaOx: 1 apocrine hidrocystoma and 2 tubular apocrine adenomas. The histologic features were examined in 3 cases. Clinical presentation summary included 2 males and 1 female, ages 53 to 74 years, with lesions located on the left cheek, inferior vertex scalp and the left eyebrow. All 3 cases showed polarizable, geometric, plate-like and fractured, colorless crystals within the lumens of the neoplasm. Of note, these crystals were seen only on the toluidine blue-stained section of Case #1, but were not present on the corresponding permanent section. We hypothesize that polarizable crystals may be present in sweat gland neoplasms more often than previously documented, but that they may often dissolve with routine processing, accounting for their rare visibility. We highlight this rare finding, and suggest that it may be underreported. We only noted this finding in benign apocrine tumors; further investigation would be necessary to determine whether these crystals are also seen in other cutaneous adnexal neoplasms. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.
Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model.
Mohebifar, Mohamad; Johnson, Erin R; Rowley, Christopher N
2017-12-12
London dispersion interactions play an integral role in materials science and biophysics. Force fields for atomistic molecular simulations typically represent dispersion interactions by the 12-6 Lennard-Jones potential using empirically determined parameters. These parameters are generally underdetermined, and there is no straightforward way to test if they are physically realistic. Alternatively, the exchange-hole dipole moment (XDM) model from density-functional theory predicts atomic and molecular London dispersion coefficients from first principles, providing an innovative strategy to validate the dispersion terms of molecular-mechanical force fields. In this work, the XDM model was used to obtain the London dispersion coefficients of 88 organic molecules relevant to biochemistry and pharmaceutical chemistry and the values compared with those derived from the Lennard-Jones parameters of the CGenFF, GAFF, OPLS, and Drude polarizable force fields. The molecular dispersion coefficients for the CGenFF, GAFF, and OPLS models are systematically higher than the XDM-calculated values by a factor of roughly 1.5, likely due to neglect of higher order dispersion terms and premature truncation of the dispersion-energy summation. The XDM dispersion coefficients span a large range for some molecular-mechanical atom types, suggesting an unrecognized source of error in force-field models, which assume that atoms of the same type have the same dispersion interactions. Agreement with the XDM dispersion coefficients is even poorer for the Drude polarizable force field. Popular water models were also examined, and TIP3P was found to have dispersion coefficients similar to the experimental and XDM references, although other models employ anomalously high values. Finally, XDM-derived dispersion coefficients were used to parametrize molecular-mechanical force fields for five liquids-benzene, toluene, cyclohexane, n-pentane, and n-hexane-which resulted in improved accuracy in the
Toroidal Dipole Moment of the Lightest Neutralino in the MSSM
International Nuclear Information System (INIS)
Cabral-Rosetti, L G; Mondragon, M; Perez, E Reyes
2011-01-01
In order to characterize one of the most favored candidates for dark matter, we calculate the anapole form factor of the lightest neutralino in the Minimal Supersymmetric Standard Model (MSSM) at the one-loop level. As a Majorana fermion, this particle only shows one electromagnetic property, the toroidal dipole moment, which is directly related to the anapole form factor. We obtain the result analitically in terms of two- and three-points Passarino-Veltman scalar functions and evaluate it for a given spectrum of supersymmetric masses and matrix elements. This work is part of a broader project still in progress.
Di Remigio, Roberto; Beerepoot, Maarten T P; Cornaton, Yann; Ringholm, Magnus; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca
2016-12-21
The study of high-order absorption properties of molecules is a field of growing importance. Quantum-chemical studies can help design chromophores with desirable characteristics. Given that most experiments are performed in solution, it is important to devise a cost-effective strategy to include solvation effects in quantum-chemical studies of these properties. We here present an open-ended formulation of self-consistent field (SCF) response theory for a molecular solute coupled to a polarizable continuum model (PCM) description of the solvent. Our formulation relies on the open-ended, density matrix-based quasienergy formulation of SCF response theory of Thorvaldsen, et al., [J. Chem. Phys., 2008, 129, 214108] and the variational formulation of the PCM, as presented by Lipparini et al., [J. Chem. Phys., 2010, 133, 014106]. Within the PCM approach to solvation, the mutual solute-solvent polarization is represented by means of an apparent surface charge (ASC) spread over the molecular cavity defining the solute-solvent boundary. In the variational formulation, the ASC is an independent, variational degree of freedom. This allows us to formulate response theory for molecular solutes in the fixed-cavity approximation up to arbitrary order and with arbitrary perturbation operators. For electric dipole perturbations, pole and residue analyses of the response functions naturally lead to the identification of excitation energies and transition moments. We document the implementation of this approach in the Dalton program package using a recently developed open-ended response code and the PCMSolver libraries and present results for one-, two-, three-, four- and five-photon absorption processes of three small molecules in solution.
Dynamic dipole-dipole interactions between excitons in quantum dots of different sizes
DEFF Research Database (Denmark)
Matsueda, Hideaki; Leosson, Kristjan; Xu, Zhangcheng
2004-01-01
A model of the resonance dynamic dipole-dipole interaction between excitons confined in quantum dots (QDs) of different sizes at close enough distance is given in terms of parity inheritance and exchange of virtual photons. Microphotoluminescence spectra of GaAs-AlGaAs coupled QDs are proposed to...
Some measurements of H/D polarizability isotope effects using differential refractometry
International Nuclear Information System (INIS)
Foster Smith, M.; Van Hook, W.A.
1989-01-01
Refractive index differences between the H and D isomers of some common molecules in the liquid phase were measured between 404.7 and 690.0 nm. The data are combined with information on molar volume isotope effects to yield values for H/D isotope effects on the static polarizability, the vibrational contribution to the static and frequency dependent parts of the polarizability, and the H/D isotope effect on the second moment of the electronic charge distribution. The present results suffice to demonstrate the practicability of this technique to measure the components of the polarizability listed above. However for accurate resolution of the vibrational and second moment contributions, refractive index data of still greater precision will be required. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Praveen, P. A.; Babu, R. Ramesh, E-mail: rampap2k@yahoo.co.in [Crystal Growth and Thin films Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli - 620 024, Tamilnadu (India)
2016-05-23
In this report, the polarizability and first and second order hyperpolarizability values of bis benzimidazole Zn(II)-2R and bis benzimidazole Cd(II)-2R complexes, with different electron donating moieties R (R= Cl, Br, I, Acetate) were calculated using time dependent Hartree-Fock (TDHF) formalism embedded in MOPAC2012 package. Further the role of substituents on polarizability and hyperpolarizability values is investigated for the first time by analyzing the frontier molecular orbitals of the complexes with respect to the electronegativity of the substituents. It is found that the increase in electronegativity of the substituents correspondingly increases the energy gap of the molecules, which in turn reduces the polarizability values of both Zn and Cd benzimidazole complexes. Similarly, increase in electronegativity reduces the electric quadrupole moments of both the metal complexes, which in turn reduces the hyperpolarizability values.
Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform.
Peng, Xiangda; Zhang, Yuebin; Chu, Huiying; Li, Guohui
2016-03-05
The free energy calculation library PLUMED has been incorporated into the OpenMM simulation toolkit, with the purpose to perform enhanced sampling MD simulations using the AMOEBA polarizable force field on GPU platform. Two examples, (I) the free energy profile of water pair separation (II) alanine dipeptide dihedral angle free energy surface in explicit solvent, are provided here to demonstrate the accuracy and efficiency of our implementation. The converged free energy profiles could be obtained within an affordable MD simulation time when the AMOEBA polarizable force field is employed. Moreover, the free energy surfaces estimated using the AMOEBA polarizable force field are in agreement with those calculated from experimental data and ab initio methods. Hence, the implementation in this work is reliable and would be utilized to study more complicated biological phenomena in both an accurate and efficient way. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.
LHC dipoles: the countdown has begun
Patrice Loiez
2002-01-01
At the entrance to the fourth floor corridor of the LHC-MMS (Main Magnets and Superconductors) Group in building 30, the Director-General has unveiled an electronic information panel indicating the number of LHC dipoles still to be delivered and the days remaining to the deadline (30 June 2006). The panel was the idea of Lucio Rossi, leader of the MMS Group, which is responsible for the construction of the dipole magnets. The unveiling ceremony took place on the morning of Friday 11 October 2002, at the end of a drink held to celebrate with MMS group and the LHC top management the exceptional performance of the latest dipoles, built by the French consortium Alstom-Jeumont. They are the first dipoles to achieve a magnetic field of 9 tesla in one go without quenching, thus exceeding the nominal operating field of 8.3 tesla. The challenge is now to increase the production rate from 2 to 35 dipoles per month by 2004 in order to meet the deadline, while maintaining this quality. Photo 01: The Director-General Luci...
Measurement of the dipole in the cross-correlation function of galaxies
International Nuclear Information System (INIS)
Gaztanaga, Enrique; Bonvin, Camille; Hui, Lam
2017-01-01
It is usually assumed that in the linear regime the two-point correlation function of galaxies contains only a monopole, quadrupole and hexadecapole. Looking at cross-correlations between different populations of galaxies, this turns out not to be the case. In particular, the cross-correlations between a bright and a faint population of galaxies contain also a dipole. In this paper we present the first attempt to measure this dipole. We discuss the four types of effects that contribute to the dipole: relativistic distortions, evolution effect, wide-angle effect and large-angle effect. We show that the first three contributions are intrinsic anti-symmetric contributions that do not depend on the choice of angle used to measure the dipole. On the other hand the large-angle effect appears only if the angle chosen to extract the dipole breaks the symmetry of the problem. We show that the relativistic distortions, the evolution effect and the wide-angle effect are too small to be detected in the LOWz and CMASS sample of the BOSS survey. On the other hand with a specific combination of angles we are able to measure the large-angle effect with high significance. We emphasise that this large-angle dipole does not contain new physical information, since it is just a geometrical combination of the monopole and the quadrupole. However this measurement, which is in excellent agreement with theoretical predictions, validates our method for extracting the dipole from the two-point correlation function and it opens the way to the detection of relativistic effects in future surveys like e.g. DESI.
Energy Technology Data Exchange (ETDEWEB)
Bacca, S. [TRIUMF, Vancouver, BC (Canada); Barnea, Nir [Hebrew Univ. of Jerusalem (Israel); Hagen, Gaute [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Miorelli, Mirko [TRIUMF, Vancouver, BC (Canada); Orlandini, Giuseppina [Univ. of Trento (Italy); Papenbrock, Thomas F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2014-12-24
We combine the coupled-cluster method and the Lorentz integral transform for the computation of inelastic reactions into the continuum. We show that the bound-state-like equation characterizing the Lorentz integral transform method can be reformulated based on extensions of the coupled-cluster equation-of-motion method, and we discuss strategies for viable numerical solutions. Starting from a chiral nucleon-nucleon interaction at next-to-next-to-next-to-leading order, we compute the giant dipole resonances of ^{4}He, ^{16,22}O, and ^{40}Ca, truncating the coupled-cluster equation-of-motion method at the two-particle–two-hole excitation level. Within this scheme, we find a low-lying E1 strength in the neutron-rich ^{22}O nucleus, which compares fairly well with data from Leistenschneider et al. [Phys. Rev. Lett. 86, 5442 (2001)]. We also compute the electric dipole polarizability in ^{40}Ca. Deficiencies of the employed Hamiltonian lead to overbinding, too-small charge radii, and a too-small electric dipole polarizability in ^{40}Ca.
Parallelization of the polarizable embedding scheme for higher-order response functions
Hykkerud Steindal, Arnfinn; Magnus Haugaard Olsen, Jógvan; Frediani, Luca; Kongsted, Jacob; Ruud, Kenneth
2012-10-01
We present a parallel implementation of the Polarizable Embedding (PE) method, an advanced quantum mechanics/molecular mechanics (QM/MM) approach, for Hartree-Fock (PE-HF) and density functional theory (PE-DFT). The parallelization includes calculations of energies and linear, quadratic, and cubic response functions. The couplings to the QM system due to the polarizable embedding potential have been implemented using a master/slave approach. The implementation shows good scaling behaviour, demonstrated through calculations on a small (a water molecule in a bulk of water molecules) and a larger system (Green Fluorescent Protein (GFP)).
A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations.
Gould, Tim; Lebègue, Sébastien; Ángyán, János G; Bučko, Tomáš
2016-12-13
By explicitly including fractionally ionic contributions to the polarizability of a many-component system, we are able to significantly improve on previous atom-wise many-body van der Waals approaches with essentially no extra numerical cost. For nonionic systems, our method is comparable in accuracy to existing approaches. However, it offers substantial improvements in ionic solids, e.g., producing better polarizabilities by over 65% in some cases. It has particular benefits for two-dimensional transition metal dichalcogenides and interactions of H 2 with modified coronenes, ionic systems of nanotechnological interest. It thus offers an efficient improvement on existing approaches, valid for a wide range of systems.
Energy Technology Data Exchange (ETDEWEB)
Obaid, R. [Institut für Theoretische Chemie, Universität Wien, Währinger Straße 17, 1090 Vienna (Austria); Applied Chemistry Department, Palestine Polytechnic University, Hebron, Palestine (Country Unknown); Leibscher, M., E-mail: monika.leibscher@itp.uni-hannover.de [Institut für Theoretische Physik, Leibniz Universität Hannover, Appelstr. 2, 30167 Hannover (Germany)
2015-02-14
We present a molecular symmetry analysis of electronic states and transition dipole moments for molecules which undergo large amplitude intramolecular torsions. The method is based on the correlation between the point group of the molecule at highly symmetric configurations and the molecular symmetry group. As an example, we determine the global irreducible representations of the electronic states and transition dipole moments for the quinodimethane derivative 2-[4-(cyclopenta-2,4-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2H-1, 3-dioxole for which two torsional degrees of freedom can be activated upon photo-excitation and construct the resulting symmetry adapted transition dipole functions.
Dipole moment dark matter at the LHC
Energy Technology Data Exchange (ETDEWEB)
Barger, Vernon [Department of Physics, University of Wisconsin, Madison, WI 53706 (United States); Keung, Wai-Yee [Department of Physics, University of Illinois at Chicago, IL 60607 (United States); Marfatia, Danny, E-mail: marfatia@ku.edu [Department of Physics and Astronomy, University of Kansas, Lawrence, KS 66045 (United States); Tseng, Po-Yan [Department of Physics, University of Wisconsin, Madison, WI 53706 (United States); Department of Physics, National Tsing Hua University, Hsinchu 300, Taiwan (China)
2012-10-22
Monojet and monophoton final states with large missing transverse energy (E/{sub T}) are important for dark matter (DM) searches at colliders. We present analytic expressions for the differential cross sections for the parton-level processes, qq{sup Macron }(qg){yields}g(q){chi}{chi}{sup Macron} and qq{sup Macron }{yields}{gamma}{chi}{chi}{sup Macron }, for a neutral DM particle with a magnetic dipole moment (MDM) or an electric dipole moment (EDM). We collectively call such DM candidates dipole moment dark matter (DMDM). We also provide monojet cross sections for scalar, vector and axial-vector interactions. We then use ATLAS/CMS monojet+E/{sub T} data and CMS monophoton+E/{sub T} data to constrain DMDM. We find that 7 TeV LHC bounds on the MDM DM-proton scattering cross section are about six orders of magnitude weaker than on the conventional spin-independent cross section.
Perturbative odderon in the dipole model
International Nuclear Information System (INIS)
Kovchegov, Yuri V.; Szymanowski, Lech; Wallon, Samuel
2004-01-01
We show that, in the framework of Mueller's dipole model, the perturbative QCD odderon is described by the dipole model equivalent of the BFKL equation with a C-odd initial condition. The eigenfunctions and eigenvalues of the odderon solution are the same as for the dipole BFKL equation and are given by the functions E n,ν and χ(n,ν) correspondingly, where the C-odd initial condition allows only for odd values of n. The leading high-energy odderon intercept is given by α odd -1=((2α s N c )/(π))χ(n=1,ν=0)=0 in agreement with the solution found by Bartels, Lipatov and Vacca. We proceed by writing down an evolution equation for the odderon including the effects of parton saturation. We argue that saturation makes the odderon solution a decreasing function of energy
Photon scattering by the giant dipole resonance
International Nuclear Information System (INIS)
Bowles, T.J.; Holt, R.J.; Jackson, H.E.; McKeown, R.D.; Specht, J.R.
1979-01-01
Although many features of the giant dipole resonance are well known, the coupling between the basic dipole oscillation and other nuclear collective degrees of freedom such as surface vibrations and rotations is poorly understood. This aspect was investigated by elastic and inelastic bremsstrahlung scattering of tagged photons over the energy range 15 to 22 MeV. Target nuclei were 60 Ni, 52 Cr, 56 Fe, 92 Mo, and 96 Mo. Scattering and absorption cross sections are tabulated, along with parameters obtained from a two-Lorentzian analysis of the scattering cross sections; measured spectra are shown. It was necessary to remove Thomson scattering from the experimental results. It was found that coupling to surface vibrations in the giant dipole resonance is much weaker than the dynamic collective model suggests. The elastic scattering cross section for all targets but 60 Ni showed structure that is not evident in the absorption cross section measurement. 12 figures, 2 tables
Transportation studies: 40-MM collider dipole magnets
International Nuclear Information System (INIS)
Daly, E.
1992-01-01
Several fully functional 40-mm Collider Dipole Magnets (CDM) were instrumented with accelerometers to monitor shock and vibration loads during transport. The magnets were measured with optical tooling telescopes before and after transport. Changes in mechanical alignment due to shipping and handling were determined. The mechanical stability of the cryogen lines were checked using the same method. Field quality and dipole angle were measured warm before and after transport to determine changes in these parameters. Power spectra were calculated for accelerometers located on the cold mass, vacuum vessel, and trailer bed. Where available, plots of field quality and dipole roll both before and after were created. Shipping loads measured were largest in the vertical direction, where most of the structural deformation of the magnet was evident. It was not clear that magnetic performance was affected by the shipping and handling environment
Perturbative odderon in the dipole model
Energy Technology Data Exchange (ETDEWEB)
Kovchegov, Yuri V.; Szymanowski, Lech; Wallon, Samuel
2004-04-29
We show that, in the framework of Mueller's dipole model, the perturbative QCD odderon is described by the dipole model equivalent of the BFKL equation with a C-odd initial condition. The eigenfunctions and eigenvalues of the odderon solution are the same as for the dipole BFKL equation and are given by the functions E{sup n,{nu}} and {chi}(n,{nu}) correspondingly, where the C-odd initial condition allows only for odd values of n. The leading high-energy odderon intercept is given by {alpha}{sub odd}-1=((2{alpha}{sub s}N{sub c})/({pi})){chi}(n=1,{nu}=0)=0 in agreement with the solution found by Bartels, Lipatov and Vacca. We proceed by writing down an evolution equation for the odderon including the effects of parton saturation. We argue that saturation makes the odderon solution a decreasing function of energy.
Installation Strategy for the LHC Main Dipoles
Fartoukh, Stephane David
2004-01-01
All positions in the LHC machine are not equivalent in terms of beam requirements on the geometry and the field quality of the main dipoles. In the presence of slightly or strongly out-of tolerance magnets, a well-defined installation strategy will therefore contribute to preserve or even optimize the performance of the machine. Based on the present status of the production, we have anticipated a list of potential issues (geometry, transfer function, field direction and random b3) which, combined by order of priority, have been taken into account to define a simple but efficient installation algorithm for the LHC main dipoles. Its output is a prescription for installing the available dipoles in sequence while reducing to an absolute minimum the number of holes required by geometry or FQ issues.
Making Sense of Boiling Points and Melting Points
Indian Academy of Sciences (India)
to rationalize the trends in these physical constants based on non- covalent interactions and symmetry, .... the product of distance d between the two points and the magni- tude of charge e gives the magnitude of the ... Individual bond moments in a molecule add up in vector fashion to result in the net dipole moment for the ...
Photoelectron spectroscopy and the dipole approximation
Energy Technology Data Exchange (ETDEWEB)
Hemmers, O.; Hansen, D.L.; Wang, H. [Univ. of Nevada, Las Vegas, NV (United States)] [and others
1997-04-01
Photoelectron spectroscopy is a powerful technique because it directly probes, via the measurement of photoelectron kinetic energies, orbital and band structure in valence and core levels in a wide variety of samples. The technique becomes even more powerful when it is performed in an angle-resolved mode, where photoelectrons are distinguished not only by their kinetic energy, but by their direction of emission as well. Determining the probability of electron ejection as a function of angle probes the different quantum-mechanical channels available to a photoemission process, because it is sensitive to phase differences among the channels. As a result, angle-resolved photoemission has been used successfully for many years to provide stringent tests of the understanding of basic physical processes underlying gas-phase and solid-state interactions with radiation. One mainstay in the application of angle-resolved photoelectron spectroscopy is the well-known electric-dipole approximation for photon interactions. In this simplification, all higher-order terms, such as those due to electric-quadrupole and magnetic-dipole interactions, are neglected. As the photon energy increases, however, effects beyond the dipole approximation become important. To best determine the range of validity of the dipole approximation, photoemission measurements on a simple atomic system, neon, where extra-atomic effects cannot play a role, were performed at BL 8.0. The measurements show that deviations from {open_quotes}dipole{close_quotes} expectations in angle-resolved valence photoemission are observable for photon energies down to at least 0.25 keV, and are quite significant at energies around 1 keV. From these results, it is clear that non-dipole angular-distribution effects may need to be considered in any application of angle-resolved photoelectron spectroscopy that uses x-ray photons of energies as low as a few hundred eV.
Dipole strength distributions from HIGS Experiments
Directory of Open Access Journals (Sweden)
Werner V.
2015-01-01
76Ge and 76Se, in order to investigate their dipole response up to the neutron separation threshold. Gamma-ray beams from bremsstrahlung at the S-DALINAC and from Compton-backscattering at HIGS have been used to measure absolute cross sections and parities of dipole excited states, respectively. The HIGS data allows for indirect measurement of averaged branching ratios, which leads to significant corrections in the observed excitation cross sections. Results are compared to statistical calculations, to test photon strength functions and the Axel-Brink hypothesis
On the dipole approximation with error estimates
Boßmann, Lea; Grummt, Robert; Kolb, Martin
2018-01-01
The dipole approximation is employed to describe interactions between atoms and radiation. It essentially consists of neglecting the spatial variation of the external field over the atom. Heuristically, this is justified by arguing that the wavelength is considerably larger than the atomic length scale, which holds under usual experimental conditions. We prove the dipole approximation in the limit of infinite wavelengths compared to the atomic length scale and estimate the rate of convergence. Our results include N-body Coulomb potentials and experimentally relevant electromagnetic fields such as plane waves and laser pulses.
ALICE Muon Arm Dipole Magnet - Conceptual Design Report
Swoboda, D; CERN. Geneva
1998-01-01
A large Dipole Magnet is required for the Muon Arm spectrometer of the ALICE experiment 1,2[Figure 1]. The main parameters and basic design options of the dipole magnet have been described in 3. The absence of criteria for the necessary symmetry and homogeneity of the magnetic field has lead to a design dominated by economical and feasibility considerations. List of Figures: Figure 1 ALICE Experiment. Figure 2 Dipole Magnet Assembly. Figure 3 Dipole Magnet Yoke. Figure 4 Dipole Magnet Coil System. Figure 5 Schematic of Heat Screen. Figure 6 Dipole Magnet Moving Base.
Comparison of experimental and theoretical dipole moment derivatives of PF3
International Nuclear Information System (INIS)
Bruns, R.E.; Bassi, A.B.M.S.
1977-01-01
Inconsistencies in the reported experimental and theoretical values of the dipole moment derivatives in the E symmetry species of PF 3 are pointed out and corrected. The revised values imply that the charge distortions for PF 3 are identical in sense to those reported for other fluorine-containing molecules [pt
Quantum phases for a charged particle and electric/magnetic dipole in an electromagnetic field
Kholmetskii, Alexander; Yarman, Tolga
2017-11-01
We point out that the known quantum phases for an electric/magnetic dipole moving in an electromagnetic field must be composed from more fundamental quantum phases emerging for moving elementary charges. Using this idea, we have found two new fundamental quantum phases, next to the known magnetic and electric Aharonov-Bohm phases, and discuss their general properties and physical meaning.
Energy Technology Data Exchange (ETDEWEB)
Feddi, E., E-mail: e.feddi@um5s.net.ma; Zouitine, A. [Université Mohamed V Souissi, Ecole Normale Supérieure de l' Enseignement Technique (ENSET), Rabat (Morocco); Oukerroum, A.; Zazoui, M. [Laboratory of Condensed Matter, Faculty of Sciences and Techniques, University of Hassan II-Mohammedia, B.P. 146, 20800 Mohammedia (Morocco); Dujardin, F. [LCP-A2MC, Université de Lorraine, ICPM, 1 Bd Arago, 57070 Metz (France); Assaid, E. [Laboratoire d' Électronique et Optique des Nanostructures de Semiconducteurs, Faculté des Sciences, B. P. 20, El Jadida (Morocco)
2015-02-14
We study the effect of an external electric field on an exciton bound to an ionized donor (D{sup +}, X) confined in a spherical quantum dot using a perturbative-variational method where the wave function and energy are developed in series of powers of the electric field strength. After testing this new approach in the determination of the band gap for some semiconductor materials, we generalize it to the case of (D{sup +}, X) in the presence of the electric field and for several materials ZnO, PbSe, and InAs, with significant values of the mass ratio. Three interesting results can be deduced: First, we show that the present method allows to determine the ground state energy in the presence of a weak electric field in a simple way (E = E{sub 0} − αf{sup 2}) using the energy without electric field E{sub 0} and the polarizability α. The second point is that our theoretical predictions show that the polarizability of (D{sup +}, X) varies proportionally to R{sup 3.5} and follows an ordering α{sub D{sup 0}}<α{sub X}<α{sub (D{sup +},X)}. The last point to highlight is that the Haynes rule remains valid even in the presence of a weak electric field.
A model with charges and polarizability for CS₂ in an ionic liquid
Indian Academy of Sciences (India)
The environment of a solute molecule in an ionic liquid is likely to have large fluctuating electrostatic fields, and so the electrostatic properties of such a solute including its charge distribution and its polarizability may make a difference to both its static and dynamic properties. We have developed a new model forthe static ...
Kwaadgras, B.W.; Dijkstra, M.; van Roij, R.H.H.G.
2012-01-01
Self-assembly and alignment of anisotropic colloidal particles are important processes that can be influenced by external electric fields. However, dielectric nanoparticles are generally hard to align this way because of their small size and low polarizability. In this work, we employ the coupled
The Dynamic Electric Polarizability of a Particle Bound by a Double Delta Potential
Maize, M. A.; Smetanka, J. J.
2008-01-01
In this paper we derive an expression for the dynamic electric polarizability of a particle bound by a double delta potential for frequencies below and above the absolute value of the particle's ground state energy. The derived expression will be used to study some of the fundamental features of the system and its representation of real systems.…
Optical basicity and electronic polarizability of zinc borotellurite glass doped La3+ ions
Directory of Open Access Journals (Sweden)
M.K. Halimah
Full Text Available Zinc borotellurite glasses doped with lanthanum oxide were successfully prepared through melt-quenching technique. The amorphous nature of the glass system was validated by the presence of a broad hump in the XRD result. The refractive index of the prepared glass samples was calculated by using the equation proposed by Dimitrov and Sakka. The theoretical value of molar refraction, electronic polarizability, oxide ion polarizability and metallization criterion were calculated by using Lorentz-Lorenz equation. Meanwhile, expression proposed by Duffy and Ingram for the theoretical value of optical basicity of multi-component glasses were applied to obtain energy band gap based optical basicity and refractive index based optical basicity. The optical basicity of prepared glasses decreased with the increasing concentration of lanthanum oxide. Metallization criterion on the basis of refractive index showed an increasing trend while energy band gap based metallization criterion showed a decreasing trend. The small metallization criterion values of the glass samples represent that the width of the conduction band becomes larger which increase the tendency for metallization of the glasses. The results obtained indicates that the fabricated glasses have high potential to be applied on optical limiting devices in photonic field. Keywords: Borotellurite glasses, Refractive index, Electronic polarizability, Oxide ion polarizability, Optical basicity, Metallization criterion
Polarizability of the Nitrate Anion and Its Solvation at the Air/Water Interface
Czech Academy of Sciences Publication Activity Database
Salvador, P.; Curtis, J. E.; Tobias, D. J.; Jungwirth, Pavel
2003-01-01
Roč. 5, - (2003), s. 3752-3757 ISSN 1463-9076 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : polarizability * nitrate anion * air/water Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.959, year: 2003
Czech Academy of Sciences Publication Activity Database
Středa, Pavel; Jonckheere, T.; Martin, T.
2008-01-01
Roč. 100, - (2008), 146804/1-146804/4 ISSN 0031-9007 R&D Projects: GA ČR GA202/05/0365 Institutional research plan: CEZ:AV0Z10100521 Keywords : electron polarizability * quantum Hall effect * topological numbers Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.180, year: 2008
Polarizable Embedded RI-CC2 Method for Two-Photon Absorption Calculations
DEFF Research Database (Denmark)
Hršak, Dalibor; Khah, Alireza Marefat; Christiansen, Ove
2015-01-01
We present a novel polarizable embedded resolution-of-identity coupled cluster singles and approximate doubles (PERI-CC2) method for calculation of two-photon absorption (TPA) spectra of large molecular systems. The method was benchmarked for three types of systems: a water-solvated molecule...
DEFF Research Database (Denmark)
Gan, Shiyu; Zhou, Min; Zhang, Jingdong
2013-01-01
An electrochemical system composed of two polarizable interfaces (the metallic electrode|water and water|ionic liquid interfaces), namely two‐polarized‐interface (TPI) technique, has been proposed to explore the ion transfer processes between water and moderately hydrophobic ionic liquids (W|mIL)...
''Atomic'' Bremsstrahlung or polarizational radiation in collision of many-electron ions
International Nuclear Information System (INIS)
Amusia, M.Ya.; Solov'yov, A.V.
1991-01-01
In this work the so-called ''Atomic'' bremsstrahlung (AB) or polarizational radiation, created in collisions of atoms or ions, is discussed. This kind of radiation arises due to the polarization of the electron shell of colliding particles. It is created by the structured projectiles and targets if the constituents are electrically charged. 6 refs, 2 figs
DEFF Research Database (Denmark)
Amorim, B.; Dias Gonçalves, Paulo André; Vasilevskiy, M. I.
2017-01-01
produces a large enhancement of the real and imaginary parts of the renormalized polarizability. We show that the imaginary part can be changed by a factor of up to 100 relative to its value in the absence of graphene. We also show that the resonance in the case of the grating is narrower than...
A quantum-mechanical perspective on linear response theory within polarizable embedding
DEFF Research Database (Denmark)
List, Nanna Holmgaard; Norman, Patrick; Kongsted, Jacob
2017-01-01
We present a derivation of linear response theory within polarizable embedding starting from a rigorous quantum-mechanical treatment of a composite system. To this aim, two different subsystem decompositions (symmetric and nonsymmetric) of the linear response function are introduced and the pole...
del Valle, J C; García Blanco, F; Catalán, J
2015-04-02
The empirical solvent scales for polarizability (SP), dipolarity (SdP), acidity (SA), and basicity (SB) have been successfully used to interpret the solvatochromism of compounds dissolved in organic solvents and their solvent mixtures. Providing that the published solvatochromic parameters for the ionic liquids 1-(1-butyl)-3-methylimidazolium tetrafluoroborate, [BMIM][BF4] and 1-(1-butyl)-3-methylimidazolium hexafluorophosphate, [BMIM][PF6], are excessively widespread, their SP, SdP, SA, and SB values are measured herein at temperatures from 293 to 353 K. Four key points are emphasized herein: (i) the origin of the solvatochromic solvent scales--the gas phase, that is the absence of any medium perturbation--; (ii) the separation of the polarizability and dipolarity effects; (iii) the simplification of the probing process in order to obtain the solvatochromic parameters; and (iv) the SP, SdP, SA, and SB solvent scales can probe the polarizability, dipolarity, acidity, and basicity of ionic liquids as well as of organic solvents and water-organic solvent mixtures. From the multiparameter approach using the four pure solvent scales one can draw the conclusion that (a) the solvent influence of [BMIM][BF4] parallels that of formamide at 293 K, both of them miscible with water; (b) [BMIM][PF6] shows a set of solvatochromic parameters similar to that of chloroacetonitrile, both of them water insoluble; and (c) that the corresponding solvent acidity and basicity of the ionic liquids can be explained to a great extent from the cation species by comparing the empirical parameters of [BMIM](+) with those of the solvent 1-methylimidazole. The insolubility of [BMIM][PF6] in water as compared to [BMIM][BF4] is tentatively connected to some extent to the larger molar volume of the anion [PF6](-), and to the difference in basicity of [PF6](-) and [BF4](-).
Study and realization of a power circuit of a superconducting dipole generator of a magnetic field
International Nuclear Information System (INIS)
Rouanet, E.
1993-01-01
The project of experimental reactor building on controlled fusion (I.T.E.R) needed the development of a superconducting cable made of niobium-tin. Tested with a current of fifty kilo amperes under a twelve tesla constant field, this cable has to be tested under a variable field. The installation of the power circuit of the dipole field generator, consisted to the study and realization of the four following points: an important power cable; a tension protection organ of the dipole, under a seventeen milli Henrys inductance and four kilo amperes; a current regulating system given by the generator; a complete pilot system of the test station
On the theory of electric double layer with explicit account of a polarizable co-solvent
International Nuclear Information System (INIS)
Budkov, Yu. A.; Kolesnikov, A. L.; Kiselev, M. G.
2016-01-01
We present a continuation of our theoretical research into the influence of co-solvent polarizability on a differential capacitance of the electric double layer. We formulate a modified Poisson-Boltzmann theory, using the formalism of density functional approach on the level of local density approximation taking into account the electrostatic interactions of ions and co-solvent molecules as well as their excluded volume. We derive the modified Poisson-Boltzmann equation, considering the three-component symmetric lattice gas model as a reference system and minimizing the grand thermodynamic potential with respect to the electrostatic potential. We apply present modified Poisson-Boltzmann equation to the electric double layer theory, showing that accounting for the excluded volume of co-solvent molecules and ions slightly changes the main result of our previous simplified theory. Namely, in the case of small co-solvent polarizability with its increase under the enough small surface potentials of electrode, the differential capacitance undergoes the significant growth. Oppositely, when the surface potential exceeds some threshold value (which is slightly smaller than the saturation potential), the increase in the co-solvent polarizability results in a differential capacitance decrease. However, when the co-solvent polarizability exceeds some threshold value, its increase generates a considerable enhancement of the differential capacitance in a wide range of surface potentials. We demonstrate that two qualitatively different behaviors of the differential capacitance are related to the depletion and adsorption of co-solvent molecules at the charged electrode. We show that an additive of the strongly polarizable co-solvent to an electrolyte solution can shift significantly the saturation potential in two qualitatively different manners. Namely, a small additive of strongly polarizable co-solvent results in a shift of saturation potential to higher surface potentials. On
On the theory of electric double layer with explicit account of a polarizable co-solvent.
Budkov, Yu A; Kolesnikov, A L; Kiselev, M G
2016-05-14
We present a continuation of our theoretical research into the influence of co-solvent polarizability on a differential capacitance of the electric double layer. We formulate a modified Poisson-Boltzmann theory, using the formalism of density functional approach on the level of local density approximation taking into account the electrostatic interactions of ions and co-solvent molecules as well as their excluded volume. We derive the modified Poisson-Boltzmann equation, considering the three-component symmetric lattice gas model as a reference system and minimizing the grand thermodynamic potential with respect to the electrostatic potential. We apply present modified Poisson-Boltzmann equation to the electric double layer theory, showing that accounting for the excluded volume of co-solvent molecules and ions slightly changes the main result of our previous simplified theory. Namely, in the case of small co-solvent polarizability with its increase under the enough small surface potentials of electrode, the differential capacitance undergoes the significant growth. Oppositely, when the surface potential exceeds some threshold value (which is slightly smaller than the saturation potential), the increase in the co-solvent polarizability results in a differential capacitance decrease. However, when the co-solvent polarizability exceeds some threshold value, its increase generates a considerable enhancement of the differential capacitance in a wide range of surface potentials. We demonstrate that two qualitatively different behaviors of the differential capacitance are related to the depletion and adsorption of co-solvent molecules at the charged electrode. We show that an additive of the strongly polarizable co-solvent to an electrolyte solution can shift significantly the saturation potential in two qualitatively different manners. Namely, a small additive of strongly polarizable co-solvent results in a shift of saturation potential to higher surface potentials. On
LHC Dipoles: The countdown has begun
2002-01-01
One of the LHC dipole magnets has just achieved a record magnetic field of 9 Tesla in one go without quenching. The challenge now is to increase the production rate to 35 magnets a month by 2004. As a new information panel in Building 30 shows, the countdown has begun.
Results on Fermilab main injector dipole measurements
International Nuclear Information System (INIS)
Brown, B.C.; Baiod, R.; DiMarco, J.; Glass, H.D.; Harding, D.J.; Martin, P.S.; Mishra, S.; Mokhtarani, A.; Orris, D.F.; russell, O.A.; Tompkins, J.C.; Walbridge, D.G.C.
1995-06-01
Measurements of the Productions run of Fermilab Main Injector Dipole magnets is underway. Redundant strength measurements provide a set of data which one can fit to mechanical and magnetic properties of the assembly. Plots of the field contribution from the steel supplement the usual plots of transfer function (B/I) vs. I in providing insight into the measured results
Dipole operator constraints on composite Higgs models.
König, Matthias; Neubert, Matthias; Straub, David M
Flavour- and CP-violating electromagnetic or chromomagnetic dipole operators in the quark sector are generated in a large class of new physics models and are strongly constrained by measurements of the neutron electric dipole moment and observables sensitive to flavour-changing neutral currents, such as the [Formula: see text] branching ratio and [Formula: see text]. After a model-independent discussion of the relevant constraints, we analyze these effects in models with partial compositeness, where the quarks get their masses by mixing with vector-like composite fermions. These scenarios can be seen as the low-energy limit of composite Higgs or warped extra dimensional models. We study different choices for the electroweak representations of the composite fermions motivated by electroweak precision tests as well as different flavour structures, including flavour anarchy and [Formula: see text] or [Formula: see text] flavour symmetries in the strong sector. In models with "wrong-chirality" Yukawa couplings, we find a strong bound from the neutron electric dipole moment, irrespective of the flavour structure. In the case of flavour anarchy, we also find strong bounds from flavour-violating dipoles, while these constraints are mild in the flavour-symmetric models.
Forced flow cooling of ISABELLE dipole magnets
International Nuclear Information System (INIS)
Bamberger, J.A.; Aggus, J.; Brown, D.P.; Kassner, D.A.; Sondericker, J.H.; Strobridge, T.R.
1976-01-01
The superconducting magnets for ISABELLE will use a forced flow supercritical helium cooling system. In order to evaluate this cooling scheme, two individual dipole magnets were first tested in conventional dewars using pool boiling helium. These magnets were then modified for forced flow cooling and retested with the identical magnet coils. The first evaluation test used a l m-long ISA model dipole magnet whose pool boiling performance had been established. The same magnet was then retested with forced flow cooling, energizing it at various operating temperatures until quench occurred. The magnet performance with forced flow cooling was consistent with data from the previous pool boiling tests. The next step in the program was a full-scale ISABELLE dipole ring magnet, 4.25 m long, whose performance was first evaluated with pool boiling. For the forced flow test the magnet was shrunk-fit into an unsplit laminated core encased in a stainless steel cylinder. The high pressure gas is cooled below 4 K by a helium bath which is pumped below atmospheric pressure with an ejector nozzle. The performance of the full-scale dipole magnet in the new configuration with forced flow cooling, showed a 10 percent increase in the attainable maximum current as compared to the pool boiling data
Installation of the ALICE dipole magnet
Maximilien Brice
2005-01-01
The large dipole magnet is installed on the ALICE detector at CERN. This magnet, which is cooled by demineralised water, will bend the path of muons that leave the huge rectangular solenoid (in the background). These muons are heavy electrons that interact less with matter, allowing them to traverse the main section of the detector.
Fringing field measurement of dipole magnet
International Nuclear Information System (INIS)
Lu Hongyou; Jiang Weisheng; Mao Naifeng; Mao Xingwang
1985-01-01
The fringing field of a dipole magnet with a C-type circuit and homogeneous field in the gap has been measured including the distributions of fringing fields with and without magnetic shield. The measured data was analyzed by using the concept of virtual field boundary
Supersymmetric relations among electromagnetic dipole operators
International Nuclear Information System (INIS)
Graesser, Michael; Thomas, Scott
2002-01-01
Supersymmetric contributions to all leptonic electromagnetic dipole operators have essentially identical diagrammatic structure. With approximate slepton universality this allows the muon anomalous magnetic moment to be related to the electron electric dipole moment in terms of supersymmetric phases, and to radiative flavor changing lepton decays in terms of small violations of slepton universality. If the current discrepancy between the measured and standard model values of the muon anomalous magnetic moment is due to supersymmetry, the current bound on the electron electric dipole moment then implies that the phase of the electric dipole operator is less than 2x10 -3 . Likewise the current bound on μ→eγ decay implies that the fractional selectron-smuon mixing in the left-left mass squared matrix, δm μ-tildee-tilde) 2 /m l-tilde) 2 , is less than 10 -4 . These relations and constraints are fairly insensitive to details of the superpartner spectrum for moderate to large tan β
Toroidal Dipole Moment of a Massless Neutrino
International Nuclear Information System (INIS)
Cabral-Rosetti, L. G.; Mondragon, M.; Perez, E. Reyes
2009-01-01
We obtain the toroidal dipole moment of a massless neutrino τ v l M using the results for the anapole moment of a massless Dirac neutrino a v l D , which was obtained in the context of the Standard Model of the electroweak interactions (SM)SU(2) L x U(1) Y .
The SSC dipole: Its conceptual origin and early design history
International Nuclear Information System (INIS)
Dahl, P.F.
1990-06-01
The magnet system for the Superconducting Super Collider will likely remain the most ambitious -- and challenging -- application of superconducting technology for the foreseeable future. The centerpiece of the system is the behemoth collider dipole magnet. Its design, still evolving in its detailed features, dates from the mid-1980's when it emerged as the winner in an early technical showdown that occupied the fledgling SSC project. However, some of its gross features can be traced back to three path-breaking superconducting accelerator initiatives under way a decade earlier -- on the East Coast, on the West Coast, and in the Midwest. Other features have a still earlier legacy. In the present report we chronicle the origins and chief milestones in the development of certain SSC dipole design concepts. Unfortunately, the chronicle must remain incomplete, with the design not yet frozen as we go to press and still subject to important modifications as the SSC Laboratory settles in near its future home in Ellis County, Texas, hard on the heels of a wide-ranging design review in the closing days of the SSC Central Design Group in (CDG) Berkeley. Be that as it may, in what follows we concentrate on the early years in an attempt to recapitulate the birth of the dipole, taking as our point of departure the SSC Reference Designs Study (RDS) of 1984. In Section 3 we touch on the background for the various RDS options, including ISABELLE/CBA and the Tevatron. In Section 4 the narrative focuses on the two final protagonists, a high-field cosine theta (cos θ) magnet and a low-field superferric magnet. Section 5 recounts the circumstances surrounding the selection of a particular magnet ''style'' for further development, and the ups and downs of the first model magnets. We conclude with a smattering of progress highlights in refining the design during the final push under the reign of the CDG
The SSC dipole: Its conceptual origin and early design history
International Nuclear Information System (INIS)
Dahl, P.F.
1992-05-01
The magnet system for the Superconducting Super Collider will likely remain the most ambitions-and challenging-application of superconducting technology for the foreseeable future. The centerpiece of the system is the behemoth collider dipole magnet. Its design, still evolving in its detailed features, dates from the mid-1980's when it emerged as the winter in an early technical showdown that occupied the fledgling SSC project. In the present report we chronicle the origins and chief milestones in the development of certain SSC dipole design concepts. Unfortunately, the chronicle must remain incomplete, with the design not yet frozen as we go to press and still subject to important modifications as the SSC Laboratory settles in near its future home in Ellis County, Texas, hard on the heels of a wide-ranging design review in the closing days of the SSC Central Design Group in (CDG) Berkeley. Be that as it may, in what follows we concentrate on the early years in an attempt to recapitulate the birth of the dipole, taking as our point of departure the SSC Reference Designs Study (RDS) of 1984. In Section 3 we touch on the background for the various RDS options, including ISABELLE/CBA and the Tevatron. In Section 4 the narrative focuses on the two final protagonists, a high-field cosine theta (cos θ) magnet and a low-field superferric magnet. Section 5 recounts the circumstances surrounding the selection of a particular magnet ''style'' for further development, and the ups and downs of the first model magnets. We conclude with a smattering of progress highlights in refining the design during the final push under the reign of the CDG. Beyond that, the ongoing chronicle must be left for others to amplify and complete
Size-scaling behaviour of the electronic polarizability of one-dimensional interacting systems
Chiappe, G.; Louis, E.; Vergés, J. A.
2018-05-01
Electronic polarizability of finite chains is accurately calculated from the total energy variation of the system produced by small but finite static electric fields applied along the chain direction. Normalized polarizability, that is, polarizability divided by chain length, diverges as the second power of length for metallic systems but approaches a constant value for insulating systems. This behaviour provides a very convenient way to characterize the wave-function malleability of finite systems as it avoids the need of attaching infinite contacts to the chain ends. Hubbard model calculations at half filling show that the method works for a small U = 1 interaction value that corresponds to a really small spectral gap of 0.005 (hopping t = ‑1 is assumed). Once successfully checked, the method has been applied to the long-range hopping model of Gebhard and Ruckenstein showing 1/r hopping decay (Gebhard and Ruckenstein 1992 Phys. Rev. Lett. 68 244; Gebhard et al 1994 Phys. Rev. B 49 10926). Metallicity for U values below the reported metal-insulator transition is obtained but the surprise comes for U values larger than the critical one (when a gap appears in the spectral density of states) because a steady increase of the normalized polarizability with size is obtained. This critical size-scaling behaviour can be understood as corresponding to a molecule which polarizability is unbounded. We have checked that a real transfer of charge from one chain end to the opposite occurs as a response to very small electric fields in spite of the existence of a large gap of the order of U for one-particle excitations. Finally, ab initio quantum chemistry calculations of realistic poly-acetylene chains prove that the occurrence of such critical behaviour in real systems is unlikely.
Simulation of structure and annihilation of screw dislocation dipoles
DEFF Research Database (Denmark)
Rasmussen, Torben; Vegge, Tejs; Leffers, Torben
2000-01-01
Large scale atomistic simulations are used to investigate the properties of screw dislocation dipoles in copper. Spontaneous annihilation is observed for dipole heights less than 1 nm. Equilibrated dipoles of heights larger than 1 nm adopt a skew configuration due to the elastic anisotropy of Cu....... The equilibrium splitting width of the screw dislocations decreases with decreasing dipole height, as expected from elasticity theory. The energy barriers, and corresponding transition states for annihilation of stable dipoles are determined for straight and for flexible dislocations for dipole heights up to 5.......2 nm. In both cases the annihilation is initiated by cross-slip of one of the dislocations. For straight dislocations the activation energy shows a linear dependence on the inverse dipole height, and for flexible dislocations the dependence is roughly linear for the dipoles investigated....
Virtual gravitational dipoles: The key for the understanding of the Universe?
Hajdukovic, Dragan Slavkov
2014-01-01
Before the end of this decade, three competing experiments (ALPHA, AEGIS and GBAR) will discover if atoms of antihydrogen fall up or down. We wonder what the major changes in astrophysics and cosmology would be if it is experimentally confirmed that antimatter falls upwards. The key point is: If antiparticles have negative gravitational charge, the quantum vacuum, well established in the Standard Model of Particles and Fields, contains virtual gravitational dipoles. The main conclusions are: (1) the physical vacuum enriched with gravitational dipoles is compatible with a cyclic universe alternatively dominated by matter and antimatter, without initial singularity and without need for cosmic inflation; (2) the virtual dipoles might explain the phenomena usually attributed to dark matter and dark energy. While what we have presented is still far from a complete theory, hopefully it can stimulate a radically different and potentially important way of thinking.
Measurement of the dipole in the cross-correlation function of galaxies
Gaztanaga, Enrique; Hui, Lam
2017-01-01
It is usually assumed that in the linear regime the two-point correlation function of galaxies contains only a monopole, quadrupole and hexadecapole. Looking at cross-correlations between different populations of galaxies, this turns out not to be the case. In particular, the cross-correlations between a bright and a faint population of galaxies contain also a dipole. In this paper we present the first attempt to measure this dipole. We discuss the four types of effects that contribute to the dipole: relativistic distortions, evolution effect, wide-angle effect and large-angle effect. We show that the first three contributions are intrinsic anti-symmetric contributions that do not depend on the choice of angle used to measure the dipole. On the other hand the large-angle effect appears only if the angle chosen to extract the dipole breaks the symmetry of the problem. We show that the relativistic distortions, the evolution effect and the wide-angle effect are too small to be detected in the LOWz and CMASS sam...
Kawski, A.; Kukliński, B.; Bojarski, P.
2006-11-01
The effect of temperature on the absorption spectra of nitrobenzene (NB) and p-nitroaniline (NA) in 1,2-dichloroethane was studied for temperature ranging from 295 K to 378 K and from 296 K to 408 K, respectively. With temperature increase the absorption bands of both compounds are blue shifted, which is caused by the decrease of permittivity ɛ and refractive index n. From the band shifts and by using the Bilot and Kawski theory [ L. Bilot, A. Kawski, Z. Naturforsch. 17a (1962) 621] the dipole moments in the excited singlet state μe = 6.59 D of NB and μe = 13.35 D of NA were determined. The influence of polarizability α, the Onsager cavity radius a and dipole moment in the ground state μg on the determined values of μe are discussed. A comparison of the obtained μe values with those of other authors is given. In the case of p-NA a strong intramolecular charge transfer (ICT) was confirmed.
Kishi, Ryohei; Nakano, Masayoshi
2011-04-21
A novel method for the calculation of the dynamic polarizability (α) of open-shell molecular systems is developed based on the quantum master equation combined with the broken-symmetry (BS) time-dependent density functional theory within the Tamm-Dancoff approximation, referred to as the BS-DFTQME method. We investigate the dynamic α density distribution obtained from BS-DFTQME calculations in order to analyze the spatial contributions of electrons to the field-induced polarization and clarify the contributions of the frontier orbital pair to α and its density. To demonstrate the performance of this method, we examine the real part of dynamic α of singlet 1,3-dipole systems having a variety of diradical characters (y). The frequency dispersion of α, in particular in the resonant region, is shown to strongly depend on the exchange-correlation functional as well as on the diradical character. Under sufficiently off-resonant condition, the dynamic α is found to decrease with increasing y and/or the fraction of Hartree-Fock exchange in the exchange-correlation functional, which enhances the spin polarization, due to the decrease in the delocalization effects of π-diradical electrons in the frontier orbital pair. The BS-DFTQME method with the BHandHLYP exchange-correlation functional also turns out to semiquantitatively reproduce the α spectra calculated by a strongly correlated ab initio molecular orbital method, i.e., the spin-unrestricted coupled-cluster singles and doubles.
Optimization of Open Midplane Dipole Design for LHC IR Upgrade
Gupta, Ramesh C; Ghosh, Arup; Harrison, Michael; Mokhov, Nikolai V; Schmalzle, Jesse D; Wanderer, Peter
2005-01-01
The proposed ten-fold increase in Large Hadron Collider (LHC) luminosity requires high field (~15 T) magnets that are subjected to the high radiation power of ~9 kW/per beam directed towards each interaction region. This has a major impact in the design of first dipole in the "Dipole First" optics. The proposed design allows sufficient clear space between coils so that most of the particle showers from the interaction points (concentrated at the midplane due to strong magnetic field) can be transported outside the coil region to a warm absorber thus drastically reducing the peak power density in the coils and removing heat at a higher (nitrogen) temperature. The concept, however, presents several new technical challenges: (a) obtaining good field quality despite a large midplane gap, (b) minimizing peak fields on coil, (c) dealing with large vertical forces with no structure between the coils, (d) minimizing heat deposition in the cold region, (e) designing a support structure. Designs with different horizont...
Fernandez Navarro, Alejandro Manuel; Verweij, Arjan P; Bortot, Lorenzo; Mentink, Matthias; Prioli, Marco; Auchmann, Bernhard; Izquierdo Bermudez, Susana; Ravaioli, Emmanuele; Yammine, Samer
2018-01-01
To achieve the goal of increased luminosity, two out of eight main dipole circuits of the accelerator will be reconfigured in the coming LHC upgrade by replacing one standard 14.3-m long, Nb-Ti-based, 8.3 T dipole magnet by two 5.3-m long, Nb$_{3}$Sn-based, 11.2 T magnets (MBH). The modified dipole circuits will contain 153 Nb-Ti magnets and two MBH magnets. The latter will be connected to an additional trim power converter to compensate for the differences in the magnetic transfer functions. These modifications imply a number of challenges from the point of view of the circuit integrity, operation, and quench protection. In order to assess the circuit performance under different scenarios and to validate the circuit quench protection strategy, reliable and accurate numerical transient simulations have to be performed. We present the field/circuit coupling simulation of the reconfigured main dipole magnet chain following the introduction of the MBH magnets. 2-D distributed LEDET models of the MBH's have been ...
Is there a fundamental cosmological dipole?
Perivolaropoulos, Leandros
2014-01-01
Early hints for deviation from the cosmological principle and statistical isotropy are being accumulated. After reviewing these hints, I focus on four cosmologically observed axes which appear to be either marginally consistent or in conflict with the standard ΛCDM isotropic and homogeneous cosmology. These axes are abnormally aligned with each other and include: (a) The Fine Structure Constant α Dipole (b) the Dark Energy Dipole (c) the Dark Velocity Flow and (d) the CMB Maximum Temperature Asymmetry. I also discuss a simple physical model (extended topological quintessence) that has the potential to explain the existence and alignment of these axes. The model is based on the recent formation of a global monopole with Hubble scale core by an O(3) symmetric scalar field, non-minimally coupled to electromagnetism.
Dynamical dipole mode in fusion reactions
Pierroutsakou, D.; Martin, B.; Agodi, C.; Alba, R.; Baran, V.; Boiano, A.; Cardella, G.; Colonna, M.; Coniglione, R.; De Filippo, E.; Del Zoppo, A.; Di Toro, M.; Inglima, G.; Glodariu, T.; La Commara, M.; Maiolino, C.; Mazzocco, M.; Pagano, A.; Piattelli, P.; Pirrone, S.; Rizzo, C.; Romoli, M.; Sandoli, M.; Santonocito, D.; Sapienza, P.; Signorini, C.
2009-05-01
We investigated the dynamical dipole mode, related with entrance channel charge asymmetry effects, in the 40Ar+92Zr and 36Ar+96Zr fusion reactions at Elab = 15.1 A and 16 A MeV, respectively. These reactions populate, through entrance channels having different charge asymmetries, a compound nucleus in the A = 126 mass energy region, identical spin distribution at an average excitation energy of about 280 MeV. The compound nucleus average excitation energy and average mass were deduced by the analysis of the light charged particle energy spectra. By studying the γ-ray energy spectra and the γ-ray angular distributions of the considered reactions, the dynamical nature of the prompt radiation related to the dynamical dipole mode was evidenced. The data are compared with calculations based on a collective bremsstrahlung analysis of the reaction dynamics.
Dynamical dipole mode in fusion reactions
International Nuclear Information System (INIS)
Pierroutsakou, D.; Boiano, A.; Romoli, M.; Martin, B.; Inglima, G.; La Commara, M.; Sandoli, M.; Agodi, C.; Alba, R.; Coniglione, R.; Zoppo, A. Del; Maiolino, C.; Piattelli, P.; Santonocito, D.; Sapienza, P.; Baran, V.; Glodariu, T.; Cardella, G.; De Filippo, E.; Pagano, A.
2009-01-01
We investigated the dynamical dipole mode, related with entrance channel charge asymmetry effects, in the 40 Ar+ 92 Zr and 36 Ar+ 96 Zr fusion reactions at E lab = 15.1 A and 16 A MeV, respectively. These reactions populate, through entrance channels having different charge asymmetries, a compound nucleus in the A = 126 mass energy region, identical spin distribution at an average excitation energy of about 280 MeV. The compound nucleus average excitation energy and average mass were deduced by the analysis of the light charged particle energy spectra. By studying the γ-ray energy spectra and the γ-ray angular distributions of the considered reactions, the dynamical nature of the prompt radiation related to the dynamical dipole mode was evidenced. The data are compared with calculations based on a collective bremsstrahlung analysis of the reaction dynamics.
Dipole vortices in the Great Australian Bight
DEFF Research Database (Denmark)
Cresswell, George R.; Lund-Hansen, Lars C.; Nielsen, Morten Holtegaard
2015-01-01
Shipboard measurements from late 2006 made by the Danish Galathea 3 Expedition and satellite sea surface temperature images revealed a chain of cool and warm mushroom' dipole vortices that mixed warm, salty, oxygen-poor waters on and near the continental shelf of the Great Australian Bight (GAB......) with cooler, fresher, oxygen-rich waters offshore. The alternating jets' flowing into the mushrooms were directed mainly northwards and southwards and differed in temperature by only 1.5 degrees C; however, the salinity difference was as much as 0.5, and therefore quite large. The GAB waters were slightly...... denser than the cooler offshore waters. The field of dipoles evolved and distorted, but appeared to drift westwards at 5km day-1 over two weeks, and one new mushroom carried GAB water southwards at 7km day(-1). Other features encountered between Cape Leeuwin and Tasmania included the Leeuwin Current...
THE SNS RING DIPOLE MAGNETIC FIELD QUALITY.
Energy Technology Data Exchange (ETDEWEB)
WANDERER,P.; JACKSON,J.; JAIN,A.; LEE,Y.Y.; MENG,W.; PAPAPHILIPPOU,I.; SPATARO,C.; TEPIKIAN,S.; TSOUPAS,N.; WEI,J.
2002-06-03
The large acceptance and compact size of the Spallation Neutron Source (SNS) ring implies the use of short, large aperture dipole magnets, with significant end field errors. The SNS will contain 32 such dipoles. We report magnetic field measurements of the first 16 magnets. The end field errors have been successfully compensated by the use of iron bumps. For 1.0 GeV protons, the magnets have been shimmed to meet the 0.01% specification for rms variation of the integral field. At 1.3 GeV, the rms variation is 0.036%. The load on the corrector system at 1.3 GeV will be reduced by the use of sorting.
Trapped field internal dipole superconducting motor generator
Energy Technology Data Exchange (ETDEWEB)
Hull, John R. (Downers Grove, IL)
2001-01-01
A motor generator including a high temperature superconductor rotor and an internally disposed coil assembly. The motor generator superconductor rotor is constructed of a plurality of superconductor elements magnetized to produce a dipole field. The coil assembly can be either a conventional conductor or a high temperature superconductor. The superconductor rotor elements include a magnetization direction and c-axis for the crystals of the elements and which is oriented along the magnetization direction.
The LHC AC Dipole system: an introduction
Serrano, J; CERN. Geneva. BE Department
2010-01-01
The LHC AC Dipole is an instrument to study properties of the LHC lattice by inducing large transverse displacements in the beam. These displacements are generated by exciting the beam with an oscillating magnetic field at a frequency close to the tune. This paper presents the system requirements and the technical solution chosen to meet them, based of high-power audio amplifiers and a resonant parallel RLC circuit.
Electric dipole moment of light nuclei
Energy Technology Data Exchange (ETDEWEB)
Gibson, Benjamin [Los Alamos National Laboratory; Afnan, I R [Los Alamos National Laboratory
2010-01-01
We examine the sensitivity of the deuteron Electric Dipole Moment (EDM) to variation in the nucleon-nucleon interaction. In particular, we write the EDM as a sum of two terms, one depends on the target wave function, the second on intermediate multiple scattering states in the {sup 3}P{sub 1} channel. This second contribution is sensitive to off-shell behavior of the {sup 3}P{sub 1} amplitude.
Dipole operator constraints on composite Higgs models
Energy Technology Data Exchange (ETDEWEB)
Koenig, Matthias [Johannes Gutenberg University, PRISMA Cluster of Excellence and Mainz Institute for Theoretical Physics, Mainz (Germany); Neubert, Matthias [Johannes Gutenberg University, PRISMA Cluster of Excellence and Mainz Institute for Theoretical Physics, Mainz (Germany); Cornell University, Department of Physics, LEPP, Ithaca, NY (United States); Straub, David M. [Excellence Cluster Universe, Technische Universitaet Muenchen, Garching (Germany)
2014-07-15
Flavour- and CP-violating electromagnetic or chromomagnetic dipole operators in the quark sector are generated in a large class of new physics models and are strongly constrained by measurements of the neutron electric dipolemoment and observables sensitive to flavour-changing neutral currents, such as the B→ X{sub s}γ branching ratio and ε'/ε. After a model-independent discussion of the relevant constraints, we analyze these effects in models with partial compositeness, where the quarks get their masses by mixing with vector-like composite fermions. These scenarios can be seen as the low-energy limit of composite Higgs or warped extra dimensional models. We study different choices for the electroweak representations of the composite fermions motivated by electroweak precision tests as well as different flavour structures, including flavour anarchy and U(3){sup 3} or U(2){sup 3} flavour symmetries in the strong sector. In models with ''wrong-chirality'' Yukawa couplings, we find a strong bound from the neutron electric dipole moment, irrespective of the flavour structure. In the case of flavour anarchy, we also find strong bounds from flavour-violating dipoles, while these constraints are mild in the flavour-symmetric models. (orig.)
SPS Dipole Multipactor Test and TEWave Diagnostics
Caspers, F; Edwards, P; Federmann, S; Holz, M; Taborelli, M
2013-01-01
Electron cloud accumulation in particle accelerators can be mitigated by coating the vacuum beam pipe with thin films of low secondary electron yield (SEY) material. The SEY of small coated samples are usually measured in the laboratory. To further test the properties of different coating materials, RF-induced multipacting in a coaxial waveguide configuration can be performed. The technique is applied to two main bending dipoles of the SPS, where the RF power is fed through a tungsten wire stretched along the vacuum chamber (6.4 m). A dipole with a bare stainless steel chamber shows a clear power threshold initiating an abrupt rise in reflected power and pressure. The effect is enhanced at RF frequencies corresponding to electron cyclotron resonances for given magnetic fields. Preliminary results show that the dipole with a carbon coated vacuum chamber does not exhibit any pressure rise or reflected RF power up to the maximum available input power. In the case of a large scale coating production this techniqu...
Bent Solenoids with Superimposed Dipole Fields
Energy Technology Data Exchange (ETDEWEB)
Meinke, Rainer, B.; Goodzeit, Carl, L.
2000-03-21
A conceptual design and manufacturing technique were developed for a superconducting bent solenoid magnet with a superimposed dipole field that would be used as a dispersion device in the cooling channel of a future Muon Collider. The considered bent solenoid is equivalent to a 180° section of a toroid with a major radius of ~610 mm and a coil aperture of ~416 mm. The required field components of this magnet are 4 tesla for the solenoid field and 1 tesla for the superimposed dipole field. A magnet of this size and shape, operating at these field levels, has to sustain large Lorentz forces resulting in a maximum magnetic pressure of about 2,000 psi. A flexible round mini-cable with 37 strands of Cu-NbTi was selected as the superconductor. Detailed magnetic analysis showed that it is possible to obtain the required superimposed dipole field by tilting the winding planes of the solenoid by ~25°. A complete structural analysis of the coil support system and the helium containment vessel under thermal, pressure, and Lorentz force loads was carried out using 3D finite element models of the structures. The main technical issues were studied and solutions were worked out so that a highly reliable magnet of this type can be produced at an affordable cost.
Direct amplitude detuning measurement with ac dipole
Directory of Open Access Journals (Sweden)
S. White
2013-07-01
Full Text Available In circular machines, nonlinear dynamics can impact parameters such as beam lifetime and could result in limitations on the performance reach of the accelerator. Assessing and understanding these effects in experiments is essential to confirm the accuracy of the magnetic model and improve the machine performance. A direct measurement of the machine nonlinearities can be obtained by characterizing the dependency of the tune as a function of the amplitude of oscillations (usually defined as amplitude detuning. The conventional technique is to excite the beam to large amplitudes with a single kick and derive the tune from turn-by-turn data acquired with beam position monitors. Although this provides a very precise tune measurement it has the significant disadvantage of being destructive. An alternative, nondestructive way of exciting large amplitude oscillations is to use an ac dipole. The perturbation Hamiltonian in the presence of an ac dipole excitation shows a distinct behavior compared to the free oscillations which should be correctly taken into account in the interpretation of experimental data. The use of an ac dipole for direct amplitude detuning measurement requires careful data processing allowing one to observe the natural tune of the machine; the feasibility of such a measurement is demonstrated using experimental data from the Large Hadron Collider. An experimental proof of the theoretical derivations based on measurements performed at injection energy is provided as well as an application of this technique at top energy using a large number of excitations on the same beam.
GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2.
Lin, Zhixiong; Bachmann, Stephan J; van Gunsteren, Wilfred F
2015-03-07
Two one-site polarizable urea models, COS/U and COS/U2, based on the charge-on-spring model are proposed. The models are parametrized against thermodynamic properties of urea-water mixtures in combination with the polarizable COS/G2 and COS/D2 models for liquid water, respectively, and have the same functional form of the inter-atomic interaction function and are based on the same parameter calibration procedure and type of experimental data as used to develop the GROMOS biomolecular force field. Thermodynamic, dielectric, and dynamic properties of urea-water mixtures simulated using the polarizable models are closer to experimental data than using the non-polarizable models. The COS/U and COS/U2 models may be used in biomolecular simulations of protein denaturation.
Toward verification of electroweak baryogenesis by electric dipole moments
Directory of Open Access Journals (Sweden)
Kaori Fuyuto
2016-04-01
Full Text Available We study general aspects of the CP-violating effects on the baryon asymmetry of the Universe (BAU and electric dipole moments (EDMs in models extended by an extra Higgs doublet and a singlet, together with electroweak-interacting fermions. In particular, the emphasis is on the structure of the CP-violating interactions and dependences of the BAU and EDMs on masses of the relevant particles. In a concrete mode, we investigate a relationship between the BAU and the electron EDM for a typical parameter set. As long as the BAU-related CP violation predominantly exists, the electron EDM has a strong power in probing electroweak baryogenesis. However, once a BAU-unrelated CP violation comes into play, the direct correlation between the BAU and electron EDM can be lost. Even in such a case, we point out that verifiability of the scenario still remains with the help of Higgs physics.
Toward verification of electroweak baryogenesis by electric dipole moments
International Nuclear Information System (INIS)
Fuyuto, Kaori; Hisano, Junji; Senaha, Eibun
2016-01-01
We study general aspects of the CP-violating effects on the baryon asymmetry of the Universe (BAU) and electric dipole moments (EDMs) in models extended by an extra Higgs doublet and a singlet, together with electroweak-interacting fermions. In particular, the emphasis is on the structure of the CP-violating interactions and dependences of the BAU and EDMs on masses of the relevant particles. In a concrete mode, we investigate a relationship between the BAU and the electron EDM for a typical parameter set. As long as the BAU-related CP violation predominantly exists, the electron EDM has a strong power in probing electroweak baryogenesis. However, once a BAU-unrelated CP violation comes into play, the direct correlation between the BAU and electron EDM can be lost. Even in such a case, we point out that verifiability of the scenario still remains with the help of Higgs physics.
Review of the electric dipole moment of light nuclei
Yamanaka, Nodoka
In this paper, we summarize the theoretical development on the electric dipole moment (CEDM) of light nuclei. We first describe the nucleon level CP violation and its parametrization. We then present the results of calculations of the EDM of light nuclei in the ab initio approach and in the cluster model. The analysis of the effect of several models beyond standard model (CBSM) is presented together with the prospects for its discovery. The advantage of the EDM of light nuclei is focused in the point of view of the many-body physics. The evaluations of the nuclear EDM generated by the θ-term and by the CP phase of the Cabibbo-Kobayashi-Maskawa (CKM) matrix are also reviewed.
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins
DEFF Research Database (Denmark)
Beerepoot, Maarten; Steindal, Arnfinn H.; Kongsted, Jacob
2013-01-01
A theoretical study of the one-photon absorption of five fluorescent proteins (FPs) is presented. The absorption properties are calculated using a polarizable embedding approach combined with density functional theory (PE-DFT) on the wild-type green fluorescent protein (wtGFP) and several of its...... shift from vacuum to protein. This is the first computational study of a range of fluorescent proteins using a polarizable embedding potential....... optimization of the chromophores within a frozen protein environment is needed in order to reproduce the experimental trends. Explicit account of polarization in the force field is not needed to yield the correct trend between the different FPs, but is necessary for reproducing the experimentally observed red...
Induced-Charge Enhancement of the Diffusion Potential in Membranes with Polarizable Nanopores.
Ryzhkov, I I; Lebedev, D V; Solodovnichenko, V S; Shiverskiy, A V; Simunin, M M
2017-12-01
When a charged membrane separates two salt solutions of different concentrations, a potential difference appears due to interfacial Donnan equilibrium and the diffusion junction. Here, we report a new mechanism for the generation of a membrane potential in polarizable conductive membranes via an induced surface charge. It results from an electric field generated by the diffusion of ions with different mobilities. For uncharged membranes, this effect strongly enhances the diffusion potential and makes it highly sensitive to the ion mobilities ratio, electrolyte concentration, and pore size. Theoretical predictions on the basis of the space-charge model extended to polarizable nanopores fully agree with experimental measurements in KCl and NaCl aqueous solutions.
Isotensor Axial Polarizability and Lattice QCD Input for Nuclear Double-β Decay Phenomenology
Shanahan, Phiala E.; Tiburzi, Brian C.; Wagman, Michael L.; Winter, Frank; Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Orginos, Kostas; Savage, Martin J.; Nplqcd Collaboration
2017-08-01
The potential importance of short-distance nuclear effects in double-β decay is assessed using a lattice QCD calculation of the n n →p p transition and effective field theory methods. At the unphysical quark masses used in the numerical computation, these effects, encoded in the isotensor axial polarizability, are found to be of similar magnitude to the nuclear modification of the single axial current, which phenomenologically is the quenching of the axial charge used in nuclear many-body calculations. This finding suggests that nuclear models for neutrinoful and neutrinoless double-β decays should incorporate this previously neglected contribution if they are to provide reliable guidance for next-generation neutrinoless double-β decay searches. The prospects of constraining the isotensor axial polarizabilities of nuclei using lattice QCD input into nuclear many-body calculations are discussed.
Natural Fe3O4 nanoparticles embedded zinc–tellurite glasses: Polarizability and optical properties
International Nuclear Information System (INIS)
Widanarto, W.; Sahar, M.R.; Ghoshal, S.K.; Arifin, R.; Rohani, M.S.; Hamzah, K.; Jandra, M.
2013-01-01
Modifying the optical behavior of zinc–tellurite glass by embedding magnetic nanoparticles has implication in nanophotonics. A series of zinc–tellurite glasses containing natural Fe 3 O 4 nanoparticles with composition (80 − x)TeO 2 ·xFe 3 O 4 ·20ZnO (0 ≤ x ≤ 2) in mol% are synthesized by melt quenching method and their optical properties are investigated using FTIR and UV–vis–NIR spectroscopies. Lorentz–Lorenz relations are exploited to determine the refractive index, molar refraction and electronic polarizability. The sharp absorption peaks of FTIR spectra show a shift from 667 cm −1 to 671 cm −1 in the presence of nanoparticles that increase the non-bridging oxygen, confirmed by the intensity change of the TeO 3 peak at 752 cm −1 . A new peak around 461 cm −1 is also observed which is attributed to the band characteristic of covalent Fe–O linkages. A decrease in the Urbach energy as much as 0.122 eV and the optical energy band gap with the increase of Fe 3 O 4 concentration (0.5–1.0 mol%) is evidenced. Electronic polarizability of the glasses increases with increasing Fe 3 O 4 nanoparticles concentration up to 1 mol%. Interestingly, the polarizability tends to decrease with the further increase of Fe 3 O 4 concentration at 2 mol%. The role of magnetic nanoparticles in influencing the structural and optical behavior are examined and understood. - Highlights: ► Incorporation of natural Fe 3 O 4 nanoparticles into the zinc–tellurite glass. ► Influence of magnetic nanoparticles in modifying structure and optical properties. ► Enhancement of refraction index and change in electronic polarizability
Polarizational stopping power of heavy-ion diclusters in two-dimensional electron liquids
International Nuclear Information System (INIS)
Ballester, D.; Fuentes, A. M.; Tkachenko, I. M.
2007-01-01
The in-plane polarizational stopping power of heavy-ion diclusters in a two-dimensional strongly coupled electron liquid is studied. Analytical expressions for the stopping power of both fast and slow projectiles are derived. To go beyond the random-phase approximation we make use of the inverse dielectric function obtained by means of the method of moments and some recent analytical expressions for the static local-field correction factor
Solvation structure and dynamics of Ni{sup 2+}(aq) from a polarizable force field
Energy Technology Data Exchange (ETDEWEB)
Mareš, Jiří, E-mail: jiri.mares@oulu.fi; Vaara, Juha
2014-10-31
Highlights: • We parameterize the Ni{sup 2+} ion within the AMOEBA polarizable forcefield. • Besides vdW parameters, we fit also polarizability, Thole damping and charge. • We use an empirical adjustment to account for the transition into condensed phase. • Very good structural and dynamical properties of Ni{sup 2+}(aq) are demonstrated. - Abstract: An aqueous solution of Ni{sup 2+} has often been used as a prototypic transition-metal system for experimental and theoretical studies in nuclear and electron-spin magnetic resonance (NMR and ESR). Molecular dynamics (MD) simulation of Ni{sup 2+}(aq) has been a part of many of these studies. As a transition metal complex, its MD simulation is particularly difficult using common force fields. In this work, we parameterize the Ni{sup 2+} ion for a simulation of the aqueous solution within the modern polarizable force field AMOEBA. We show that a successful parameterization is possible for this specific case when releasing the physical interpretation of the electrostatic and polarization parameters of the force field. In doing so, particularly the Thole damping parameter and also the ion charge and polarizability were used as fitting parameters. The resulting parameterizations give in a MD simulation good structural and dynamical properties of the [Ni(H{sub 2}O){sub 6}]{sup 2+} complex, along with the expected excellent performance of AMOEBA for the water solvent. The presented parameterization is appropriate for high-accuracy simulations of both structural and dynamic properties of Ni{sup 2+}(aq). This work documents possible approaches of parameterization of a transition metal within the AMOEBA force field.
Effect of Level Broadening on the Polarizability in a Two-Dimensional System
Ando, Tsuneya
1982-10-01
The Lindhard polarizability is calculated in a two-dimensional system in the self-consistent Born approximation by assuming short-range scatterers. The known singularity at q{=}2kF, where kF is the Fermi wave vector, is shown to be rounded off in the presence of impurities. The effect is similar to that of nonzero temperatures in contrast to the result of Nkoma [J. Phys. C 14 (1981) 1685].
Bounds on complex polarizabilities and a new perspective on scattering by a lossy inclusion
Milton, Graeme W.
2017-09-01
Here, we obtain explicit formulas for bounds on the complex electrical polarizability at a given frequency of an inclusion with known volume that follow directly from the quasistatic bounds of Bergman and Milton on the effective complex dielectric constant of a two-phase medium. We also describe how analogous bounds on the orientationally averaged bulk and shear polarizabilities at a given frequency can be obtained from bounds on the effective complex bulk and shear moduli of a two-phase medium obtained by Milton, Gibiansky, and Berryman, using the quasistatic variational principles of Cherkaev and Gibiansky. We also show how the polarizability problem and the acoustic scattering problem can both be reformulated in an abstract setting as "Y problems." In the acoustic scattering context, to avoid explicit introduction of the Sommerfeld radiation condition, we introduce auxiliary fields at infinity and an appropriate "constitutive law" there, which forces the Sommerfeld radiation condition to hold. As a consequence, we obtain minimization variational principles for acoustic scattering that can be used to obtain bounds on the complex backwards scattering amplitude. Some explicit elementary bounds are given.
Martel, P P; Miskimen, R; Aguar-Bartolome, P; Ahrens, J; Akondi, C S; Annand, J R M; Arends, H J; Barnes, W; Beck, R; Bernstein, A; Borisov, N; Braghieri, A; Briscoe, W J; Cherepnya, S; Collicott, C; Costanza, S; Denig, A; Dieterle, M; Downie, E J; Fil'kov, L V; Garni, S; Glazier, D I; Gradl, W; Gurevich, G; Hall Barrientos, P; Hamilton, D; Hornidge, D; Howdle, D; Huber, G M; Jude, T C; Kaeser, A; Kashevarov, V L; Keshelashvili, I; Kondratiev, R; Korolija, M; Krusche, B; Lazarev, A; Lisin, V; Livingston, K; MacGregor, I J D; Mancell, J; Manley, D M; Meyer, W; Middleton, D G; Mushkarenkov, A; Nefkens, B M K; Neganov, A; Nikolaev, A; Oberle, M; Ortega Spina, H; Ostrick, M; Ott, P; Otte, P B; Oussena, B; Pedroni, P; Polonski, A; Polyansky, V; Prakhov, S; Rajabi, A; Reicherz, G; Rostomyan, T; Sarty, A; Schrauf, S; Schumann, S; Sikora, M H; Starostin, A; Steffen, O; Strakovsky, I I; Strub, T; Supek, I; Thiel, M; Tiator, L; Thomas, A; Unverzagt, M; Usov, Y; Watts, D P; Witthauer, L; Werthmüller, D; Wolfes, M
2015-03-20
The spin polarizabilities of the nucleon describe how the spin of the nucleon responds to an incident polarized photon. The most model-independent way to extract the nucleon spin polarizabilities is through polarized Compton scattering. Double-polarized Compton scattering asymmetries on the proton were measured in the Δ(1232) region using circularly polarized incident photons and a transversely polarized proton target at the Mainz Microtron. Fits to asymmetry data were performed using a dispersion model calculation and a baryon chiral perturbation theory calculation, and a separation of all four proton spin polarizabilities in the multipole basis was achieved. The analysis based on a dispersion model calculation yields γ(E1E1)=-3.5±1.2, γ(M1M1)=3.16±0.85, γ(E1M2)=-0.7±1.2, and γ(M1E2)=1.99±0.29, in units of 10(-4) fm(4).
Communication: Polarizable polymer chain under external electric field in a dilute polymer solution
International Nuclear Information System (INIS)
Budkov, Yu. A.; Kolesnikov, A. L.; Kiselev, M. G.
2015-01-01
We study the conformational behavior of polarizable polymer chain under an external homogeneous electric field within the Flory type self-consistent field theory. We consider the influence of electric field on the polymer coil as well as on the polymer globule. We show that when the polymer chain conformation is a coil, application of external electric field leads to its additional swelling. However, when the polymer conformation is a globule, a sufficiently strong field can induce a globule-coil transition. We show that such “field-induced” globule-coil transition at the sufficiently small monomer polarizabilities goes quite smoothly. On the contrary, when the monomer polarizability exceeds a certain threshold value, the globule-coil transition occurs as a dramatic expansion in the regime of first-order phase transition. The developed theoretical model can be applied to predicting polymer globule density change under external electric field in order to provide more efficient processes of polymer functionalization, such as sorption, dyeing, and chemical modification
Measuring the dynamic polarizability of tungsten atom via electrical wire explosion in vacuum
Shi, Huantong; Zou, Xiaobing; Wang, Xinxin
2018-02-01
Electrical explosion of wire provides a practical approach to the experimental measurement of dynamic polarizability of metal atoms with high melting and boiling temperatures. With the help of insulation coating, a section of tungsten wire was transformed to the plasma state while the near electrode region was partially vaporized, which enabled us to locate the "neutral-region" (consisting of gaseous atoms) in the Mach-Zehnder interferogram. In this paper, the polarizability of the tungsten atom at 532 nm was reconstructed based on a technique previously used for the same purpose, and the basic preconditions of the measurement were verified in detail, including the existence of the neutral region, conservation of linear density of tungsten during wire expansion, and neglect of the vaporized insulation coating. The typical imaging time varied from 80 ns to as late as 200 ns and the reconstructed polarizability of the tungsten atom was 16 ± 1 Å3, which showed good statistical consistency and was also in good agreement with the previous results.
Energy Technology Data Exchange (ETDEWEB)
Chrysos, M., E-mail: michel.chrysos@univ-angers.fr; Rachet, F.; Kremer, D. [LUNAM Université, Université d’Angers, CNRS UMR 6200, Laboratoire MOLTECH-Anjou, 2 Bd Lavoisier, 49045 Angers (France)
2014-03-28
Of the six normal vibrations of SF{sub 6}, ν{sub 3} has a key role in the mechanisms of radiative forcing. This vibration, though inactive in Raman, shows up through the transition 2ν{sub 3} allowing for a complementary view on the asymmetric stretch of the molecule. Here, we look back into this topic, which has already caught some interest in the past but with some points been left out. We make a systematic incoherent-light-scattering analysis of the overtone with the use of different gas pressures and polarization orientations for the incident beam. Absolute-scale isotropic and anisotropic spectra are reported along with natural and pressure-induced widths and shifts, and other spectral features such as the peaks corresponding to the (experimentally indistinguishable) interfering channels E{sub g} and F{sub 2g} hitherto seen solely as two-photon IR-absorption features. We make the first-ever prediction of the SF{sub 6} polarizability second derivative with respect to the ν{sub 3}-mode coordinate and we develop a heuristic argument to explain why the superposition of the three degenerate stretching motions that are related to the ν{sub 3} mode cannot but generate a polarized Raman band.
Progress on the Development of the $Nb_3Sn$ 11T Dipole for the High Luminosity Upgrade of LHC
Savary, Frederic; Bordini, Bernardo; Bottura, Luca; Fiscarelli, Lucio; Fleiter, Jerome; Foussat, Arnaud; Izquierdo Bermudez, Susana; Karppinen, Mikko; Lackner, Friedrich; Loffler, Christian H; Nilsson, Emelie; Perez, Juan Carlos; Prin, Herve; Principe, Rosario; Ramos, Delio; de Rijk, Gijs; Rossi, Lucio; Smekens, David; Sequeira Tavares, Sandra; Willering, Gerard; Zlobin, Alexander V
2017-01-01
The high-luminosity large hadron collider (LHC) project at CERN entered into the production phase in October 2015 after the completion of the design study phase. In the meantime, the development of the 11 T dipole needed for the upgrade of the collimation system of the machine made significant progress with very good performance of the first two-in-one magnet model of 2-m length made at CERN. The 11 T dipole, which is more powerful than the current main dipoles of LHC, can be made shorter with an equivalent integrated field. This will allow creating space for the installation of additional collimators in specific locations of the dispersion suppressor regions. Following tests carried out during heavy ions runs of LHC in the end of 2015, and a more recent review of the project budget, the installation plan for the 11 T dipole was revised. Consequently, one 11 T dipole full assembly containing two 11 T dipoles of 5.5-m length will be installed on either side of interaction point 7. These two units shall be inst...
Isoscalar and isovector collective dipole states
International Nuclear Information System (INIS)
Poelhekken, T.D.
1989-01-01
This thesis presents an experimental study on the excitation of isoscalar and isovector dipole collective states by inelastic alpha scattering. In ch. 2 the experimental techniques and the characteristics of the α-particle and the γ-ray detection system are summarized. The details of the relevant theory, such as the distorted-wave Born approximation (DWBA) formalism, the energy-weighted sum rules and the α-γ angular correlations are given in ch. 3. Ch. 4 presents the results of the search for low-energy isoscalar giant dipole resonance (ISLEDR) strength by studying inelastic scattering at very forward angles, including 0 deg, of 120 MeV α-particles in coincidence with γ-ray decay. For the identification of these ISLEDR states use has been made of the fact that the α-γ angular correlations show a very characteristic pattern for γ-decay to the ) + ground state of the nuclei. Results are shown for 208 Pb, 90 Zr, 58 Ni and 40 Ca. A second experiment used the same reaction but focussed on the excitation of the isovector giant dipole resonance (IVGDR) in 208 Pb, located in a different excitation energy region (ch. 5). With the help of the (α,α'γ)-reaction it could be shown that at most 12 (± 4) % of the observed resonance strength around 13.6MeV in 208 Pb could be caused by IVGDR excitation. Finally a summary is presented in ch. 6 together with the future prospects for this particular branch in the field of giant resonances. (author). 209 refs.; 68 figs.; 42 tabs
Low-frequency RF Coupling To Unconventional (Fat Unbalanced) Dipoles
Energy Technology Data Exchange (ETDEWEB)
Ong, M M; Brown, C G; Perkins, M P; Speer, R D; Javedani, J B
2010-12-07
detonator bridge wire. This is called the common-mode voltage. The explosive component inside a detonator is relatively sensitive, and any electrical arc is a concern. In a safety analysis, the pin-to-cup voltage, i.e., detonator voltage, must be calculated to decide if an arc will form. If the electric field is known, the voltage between any two points is simply the integral of the field along a line between the points. Eq. 1.1. For simplicity, it is assumed that the electric field and dipole elements are aligned. Calculating the induced detonator voltage is more complex because of the field concentration caused by metal components. If the detonator cup is not electrically connected to the metal HE container, the portion of the voltage generated by the dipole at the detonator will divide between the container-to-cup and cup-to-pin gaps. The gap voltages are determined by their capacitances. As a simplification, it will be assumed the cup is electrically attached, short circuited, to the HE container. The electrical field in the pin-to-cup area is determined by the field near the dipole, the length of the dipole, the shape of the arms, and the orientation of the arms. Given the characteristics of a lightning strike and the inductance of the facility, the electric fields in the ''Faraday cage'' can be calculated. The important parameters for determining the voltage in an empty facility are the inductance of the rebars and the rate of change of the current, Eq. 1.3. The internal electric fields are directly related to the facility voltages, however, the electric fields in the pin-to-cup space is much higher than the facility fields because the antenna will concentrate the fields covered by the arms. Because the lightning current rise-time is different for every strike, the maximum electric field and the induced detonator voltage should be described by probability distributions. For pedantic purposes, the peak field in the simulations will be simply set to
Temperature dependence of giant dipole resonance width
International Nuclear Information System (INIS)
Vdovin, A.I.; Storozhenko, A.N.
2005-01-01
The quasiparticle-phonon nuclear model extended to finite temperature within the framework of the thermo field dynamics is applied to calculate a temperature dependence of the spreading width Γ d own of a giant dipole resonance. Numerical calculations are made for 12S n and 208 Pb nuclei. It is found that the width Γ d own increases with T. The reason of this effect is discussed as well as a relation of the present approach to other ones existing in the literature
Prototype steel-concrete LEP dipole magnet
1981-01-01
The magnetic field needed in the LEP dipole magnets was rather low, of a fraction of tesla. This lead to the conception of a novel yoke structure consisting of stacks of 1.5 mm thick low-carbon steel laminations spaced by 4.1 mm with the spaces filled with concrete. The excitation coils were also very simple: aluminium bars insulated by polyester boxes in this prototype, by glass-epoxy in the final magnets. For details see LEP-Note 118,1978 and LEP-Note 233 1980. See also 8111529,7908528X.
Direct photons and dileptons via color dipoles
International Nuclear Information System (INIS)
Kopeliovich, B.Z.; Rezaeian, A.H.; Pirner, H.J.; Schmidt, Ivan
2007-01-01
Drell-Yan dilepton pair production and inclusive direct photon production can be described within a unified framework in the color dipole approach. The inclusion of non-perturbative primordial transverse momenta and DGLAP evolution is studied. We successfully describe data for dilepton spectra from 800-GeV pp collisions, inclusive direct photon spectra for pp collisions at RHIC energies √(s)=200 GeV, and for pp-bar collisions at tevatron energies √(s)=1.8 TeV, in a formalism that is free from any extra parameters
Effective gluon operators and neutron dipole moment
International Nuclear Information System (INIS)
Bigi, I.; Ural'tsev, N.G.
1991-01-01
The role of the purely gluon CP odd six-dimension effective arising in various CP-breaking models is discussed. This operators of most interest in the nonminimal Higgs sector models, the right W models and supersymmetric theories, where it may induce the neutron dipole moment at the level of the experimental restriction. The method for evaluating the magnitude d n is proposed and the reasons are given in favor that the original Weiberg's estimate based on the naive Dimensional Analysis is overdone significantly. The Peccei -Quinn mechanism, impact on the magnitude of d n , which generally may be very essential, is discussed
International Nuclear Information System (INIS)
Avishai, Y.; Fabre de la Ripelle, M.
1986-01-01
The contribution of a CP-nonconserving nucleon-nucleon interaction to the electric dipole moment of 3 He is evaluated in view of a recent proposal for its experimental detection. We use two models of CP-nonconserving interactions in combination with a Reid soft-core strong nucleon-nucleon interaction. In the Kobayashi-Maskawa model of CP nonconservation the order of magnitude is 10 -30 eX while the presence of the theta term in the QCD Langrangian contributes an order of magnitude 10 -16 theta-bar e cm
Prompt dipole radiation in fusion reactions
International Nuclear Information System (INIS)
Martin, B.; Pierroutsakou, D.; Agodi, C.; Alba, R.; Baran, V.; Boiano, A.; Cardella, G.; Colonna, M.; Coniglione, R.; De Filippo, E.; Del Zoppo, A.; Di Toro, M.; Inglima, G.; Glodariu, T.; La Commara, M.; Maiolino, C.; Mazzocco, M.; Pagano, A.; Piattelli, P.; Pirrone, S.
2008-01-01
The prompt γ-ray emission is investigated in the 16A MeV energy region by means of the 36,40 Ar + 96,92 Zr fusion reactions leading to a compound nucleus in the vicinity of 132 Ce. The dynamical nature of this radiation is confirmed. We show that the prompt γ radiation has an angular distribution pattern consistent with a dipole oscillation along the symmetry axis of the dinuclear system. The data are compared with calculations based on a collective bremsstrahlung analysis of the reaction dynamics
Prompt dipole radiation in fusion reactions
Energy Technology Data Exchange (ETDEWEB)
Martin, B. [Dipt. di Scienze Fisiche, Universita di Napoli ' Federico II' , via Cintia, 80125 Napoli (Italy); INFN, Sezione di Napoli, via Cintia, 80125 Napoli (Italy); Pierroutsakou, D. [INFN, Sezione di Napoli, via Cintia, 80125 Napoli (Italy)], E-mail: pierroutsakou@na.infn.it; Agodi, C.; Alba, R. [INFN, Laboratori Nazionali del Sud, via S. Sofia, 95123 Catania (Italy); Baran, V. [INFN, Laboratori Nazionali del Sud, via S. Sofia, 95123 Catania (Italy); University of Bucharest (Romania); NIPNE-HH, 077125 Magurele (Romania); Boiano, A. [INFN, Sezione di Napoli, via Cintia, 80125 Napoli (Italy); Cardella, G. [INFN, Sezione di Catania, 95123 Catania (Italy); Colonna, M. [INFN, Laboratori Nazionali del Sud, via S. Sofia, 95123 Catania (Italy); Dipartimento di Fisica, Universita di Catania, 95123 Catania (Italy); Coniglione, R. [INFN, Laboratori Nazionali del Sud, via S. Sofia, 95123 Catania (Italy); De Filippo, E. [INFN, Sezione di Catania, 95123 Catania (Italy); Del Zoppo, A. [INFN, Laboratori Nazionali del Sud, via S. Sofia, 95123 Catania (Italy); Di Toro, M. [INFN, Laboratori Nazionali del Sud, via S. Sofia, 95123 Catania (Italy); Dipt. di Fisica, Universita di Catania, 95123 Catania (Italy); Inglima, G. [Dipt. di Scienze Fisiche, Universita di Napoli ' Federico II' , via Cintia, 80125 Napoli (Italy); INFN, Sezione di Napoli, via Cintia, 80125 Napoli (Italy); Glodariu, T. [NIPNE-HH, 077125 Magurele (Romania); La Commara, M. [Dipt. di Scienze Fisiche, Univ. di Napoli ' Federico II' , via Cintia, 80125 Napoli (Italy); INFN, Sezione di Napoli, via Cintia, 80125 Napoli (Italy); Maiolino, C. [INFN, Lab. Nazionali del Sud, via S. Sofia, 95123 Catania (Italy); Mazzocco, M. [Dipt. di Fisica and INFN, Sezione di Padova, 35131 Padova (Italy); Pagano, A. [INFN, Sezione di Catania, 95123 Catania (Italy); Piattelli, P. [INFN, Lab. Nazionali del Sud, via S. Sofia, 95123 Catania (Italy); Pirrone, S. [INFN, Sezione di Catania, 95123 Catania (Italy)] (and others)
2008-06-12
The prompt {gamma}-ray emission is investigated in the 16A MeV energy region by means of the {sup 36,40}Ar + {sup 96,92}Zr fusion reactions leading to a compound nucleus in the vicinity of {sup 132}Ce. The dynamical nature of this radiation is confirmed. We show that the prompt {gamma} radiation has an angular distribution pattern consistent with a dipole oscillation along the symmetry axis of the dinuclear system. The data are compared with calculations based on a collective bremsstrahlung analysis of the reaction dynamics.
Prompt dipole radiation in fusion reactions
Martin, B.; Pierroutsakou, D.; Agodi, C.; Alba, R.; Baran, V.; Boiano, A.; Cardella, G.; Colonna, M.; Coniglione, R.; De Filippo, E.; Del Zoppo, A.; Di Toro, M.; Inglima, G.; Glodariu, T.; La Commara, M.; Maiolino, C.; Mazzocco, M.; Pagano, A.; Piattelli, P.; Pirrone, S.; Rizzo, C.; Romoli, M.; Sandoli, M.; Santonocito, D.; Sapienza, P.; Signorini, C.
2008-06-01
The prompt γ-ray emission is investigated in the 16 A MeV energy region by means of the 36,40Ar + 96,92Zr fusion reactions leading to a compound nucleus in the vicinity of 132Ce. The dynamical nature of this radiation is confirmed. We show that the prompt γ radiation has an angular distribution pattern consistent with a dipole oscillation along the symmetry axis of the dinuclear system. The data are compared with calculations based on a collective bremsstrahlung analysis of the reaction dynamics.
Neutron Electric Dipole Moment on the Lattice
Directory of Open Access Journals (Sweden)
Yoon Boram
2018-01-01
Full Text Available For the neutron to have an electric dipole moment (EDM, the theory of nature must have T, or equivalently CP, violation. Neutron EDM is a very good probe of novel CP violation in beyond the standard model physics. To leverage the connection between measured neutron EDM and novel mechanism of CP violation, one requires the calculation of matrix elements for CP violating operators, for which lattice QCD provides a first principle method. In this paper, we review the status of recent lattice QCD calculations of the contributions of the QCD Θ-term, the quark EDM term, and the quark chromo-EDM term to the neutron EDM.
Neutron Electric Dipole Moment on the Lattice
Yoon, Boram; Bhattacharya, Tanmoy; Gupta, Rajan
2018-03-01
For the neutron to have an electric dipole moment (EDM), the theory of nature must have T, or equivalently CP, violation. Neutron EDM is a very good probe of novel CP violation in beyond the standard model physics. To leverage the connection between measured neutron EDM and novel mechanism of CP violation, one requires the calculation of matrix elements for CP violating operators, for which lattice QCD provides a first principle method. In this paper, we review the status of recent lattice QCD calculations of the contributions of the QCD Θ-term, the quark EDM term, and the quark chromo-EDM term to the neutron EDM.
Electric dipole moment: theory and experiments
International Nuclear Information System (INIS)
Hinds, E.
2002-01-01
There are 2 motivations for studying electric dipole moments (EDM): 1) EDM is deeply connected to CP violation (since it violates T symmetry) and to the matter-antimatter asymmetry of the universe, and 2) EDM is effectively zero in standard model but big enough to measure in non-standard models and serves as a direct test of physics beyond the standard model. In this series of slides the author reviews various experiments concerning EDM: the mercury EDM experiment, the neutron EDM experiment, the thallium EDM experiment and the ytterbium EDM experiment, and considers the implications of their results on supersymmetry
EDM: Neutron electric dipole moment measurement
Directory of Open Access Journals (Sweden)
Peter Fierlinger
2016-02-01
Full Text Available An electric dipole moment (EDM of the neutron would be a clear sign of new physics beyond the standard model of particle physics. The search for this phenomenon is considered one of the most important experiments in fundamental physics and could provide key information on the excess of matter versus antimatter in the universe. With high measurement precision, this experiment aims to ultimately achieve a sensitivity of 10-28 ecm, a 100-fold improvement in the sensitivity compared to the state-of-the-art. The EDM instrument is operated by an international collaboration based at the Technische Universität München.
Giant dipole resonance in hot nuclei
International Nuclear Information System (INIS)
Mau, N.V.
1993-01-01
Giant resonances built on an excited state of the nucleus at a finite temperature T are studied. The following questions are investigated: how long such collective effects occur in a nucleus when T increases. How the properties of the giant resonances vary when the temperature increases. How the study of giant resonances in hot nuclei can give information on the structure of the nucleus in a highly excited state. The special case of the giant dipole resonance is studied. Some of the experimental results are reviewed and in their theoretical interpretation is discussed. (K.A.). 56 refs., 20 figs., 4 tabs
Dipole Magnetization Effect to Kerosene Characteristics
Mochamad Chalid; Nelson Saksono; Adiwar Adiwar; Nono Darsono
2010-01-01
Investigation of kerosene characteristics has been done by ex-situ dipole magnetization. The results show that magnetization technique can be able to influence kerosene characteristics. Polarity and viscosity of the kerosene are observed by measuring refractive index and viscosity. An hour of 4330 Gauss flux magnetic will increase refractive index from 1.447 to 1.449 and decrease the viscosity from 1.278 to 1.256. Those changing support de-clustering occurrence and polarity increment of...
Novel Electrically Small Spherical Electric Dipole Antenna
DEFF Research Database (Denmark)
Kim, Oleksiy S.
2010-01-01
This paper introduces a novel electrically small spherical meander antenna. Horizontal sections of the meander are composed of wire loops, radii of which are chosen so that the whole structure is conformal to a sphere of radius a. To form the meander the loops are connected by wires at a meridian...... plane. The antenna operates as an electric dipole, i.e. it radiates the TM10 spherical mode. The antenna is self-resonant and can be matched to a wide range of input feed lines without an external matching network. In this paper, a spherical meander antenna of the size ka = 0.27 and the input impedance...
Spontaneous dipole-dipole interactions in many-body, driven, dissipative Rydberg systems
Maslek, James; Boulier, Thomas; Magnan, Eric; Bracamontes, Carlos; Young, Jeremy; Gorshkov, Alexey; Rolston, Steve; Porto, Trey
We observe unexpected dipole-dipole interactions leading to the violation of a forbidden transition to the 18s manifold of ultra-cold 87 Rb atoms in a 3D optical lattice, as well as an increase in the linewidth of the allowed two photon rydberg transition. At increasing two photon Rabi frequency, a new resonance appears 10 MHz detuned from the main rydberg transition. Due to the selection rules of the circularly-polarized 2-photon excitation, the | F = 1 , mF = - 1 > state, which lies roughly 10 MHz away, should be inaccessible, and is not present at rabi frequencies less than 60kHz. We interpret this as a mixing of both the accessible and forbidden 18s states, which comes from the dipole-dipole interaction between these states and the populations of nearby p states, which are induced from blackbody decay from the. | 18 s , F = 2 , mF = - 2 > state. These p states are created faster than the timescales of the experiment, making their effect instant. We observe that the pumping rates of these resonances tend to the same value as the rabi frequency gets large enough, showing a complete mixing of the states. This phenomenon occurs due to the finite lifetimes of rydberg atoms and occurs in highly excited many-body systems. It is relevant for a wide array of proposals, including rydberg dressing
Iron ore deposits model using geoelectrical resistivity method with dipole-dipole array
Directory of Open Access Journals (Sweden)
Octova Adree
2017-01-01
Full Text Available Mining industry is an industry with very high risk (losses. In order that mining activities can be run well, then the potential of the Earth’s resources must be known for sure. one of the Earth’s resources of high economic value is the iron ore. Iron ore is rarely found in a free state in nature, it is usually associated with other minerals and exposed randomly. With these properties, iron ore needs to be modeled before doing mining activities in order to avoid large losses. Iron ore deposits can be modeled with geoelectrical resistivity method. Dipole-dipole array will produce good imaging both vertically and laterally. From the measurement results of geoelectrical resistivity with dipole-dipole array will be obtained the value of measuring the current and potential difference. This value will generate into 2D and 3D model of the cross section of the iron ore deposits. One of the areas in West Sumatra has the potential for iron ore. Five lines were applied in this area. The result of cross section got the iron minerals associated with quartzite at 30 meters depth below the surface.
Electromagnetic Design Study for a Large Bore 15T Superconducting Dipole Magnet
Schwerg, N; Devred, Arnaud; Henke, H
2005-01-01
In the framework of research and development (R&D) activities at CERN the Next European Dipole (NED) program is one which is to the development of a high-field dipole magnet using Nb_3Sn superconductors. Part of the NED activities is a design study of different possible dipole configurations which is shared amongst the collaborating institutes. This thesis covers the electromagnetic design study of an 88 mm large bore superconducting 15 T dipole magnet with a coil cross section in cos-theta-layer design. Based on analytically describable geometries the sources of multipole errors are studied and elementary estimations of the magnet are carried out, e.g., the required amount of superconductors or the influence of the iron yoke thickness on the field quality. The magnet cross section for NED is optimized by means of the CERN field computation program ROXIE. The preliminary NED design serves as starting point for the coil cross section optimization with respect to field quality and a radial positioning of th...
Emitter-Wrap-Through Photovoltaic Dipole Antenna with Solar Concentrator
Roo Ons, Maria; Shynu, S.; Ammann, Max; McCormack, Sarah; Norton, Brian
2009-01-01
A novel photovoltaic dipole antenna employing a solar concentrator as a reflector is proposed. Four identical emitter-wrap-through rear contact solar cells connected in series as a folded dipole are simultaneously used for power generation and as the antenna radiating element, which is located in the focal line of a parabolic solar concentrator. The parabolic structure acts as a solar concentrator for the photovoltaic cells as well as a reflector for the folded dipole antenna. Full-wave elect...
Electric Dipole Antenna: A Source of Gravitational Radiation
Directory of Open Access Journals (Sweden)
Chifu E. N.
2013-07-01
Full Text Available In this article, the gravitational scalar potential due to an oscillating electric dipole antenna placed in empty space is derived. The gravitational potential obtained propagates as a wave. The gravitational waves have phase velocity equal to the speed of light in vacuum (c at the equatorial plane of the electric dipole antenna, unlike electromagnetic waves from the dipole antenna that cancel out at the equatorial plane due to charge symmetry.
SSC superconducting dipole magnet cryostat model style B construction experience
International Nuclear Information System (INIS)
Engler, N.H.; Bossert, R.C.; Carson, J.A.; Gonczy, J.D.; Larson, E.T.; Nicol, T.H.; Niemann, R.C.; Sorensen, D.; Zink, R.
1989-03-01
A program to upgrade the full scale SSC dipole magnet cryostat model function and assembly methods has resulted in a series of dipole magnets designated as style B construction. New design features and assembly techniques have produced a magnet and cryostat assembly that is the basis for Phase 1 of the SSC dipole magnet industrialization program. Details of the assembly program, assembly experience, and comparison to previous assembly experiences are presented. Improvements in magnet assembly techniques are also evaluated. 6 refs., 5 figs
Electromagnetic dipole radiation of oscillating D-branes
International Nuclear Information System (INIS)
Savvidy, G.K.
2000-01-01
I emphasize analogy between Dp-branes in string theories and solitons in gauge theories comparing their common properties and showing differences. In string theory we do not have the full set of equations which define the theory in all orders of coupling constant as it was in gauge theories, nevertheless such solutions have been found as solutions of low energy superstring effective action carrying the RR charges. The existence of dynamical RR charged extended objects in string theory has been deduced also by considering string theory with mixed boundary conditions, when type II closed superstring theory is enriched by open strings with Neumann boundary conditions on p + 1 directions and Dirichlet conditions on the remaining 9-p transverse directions. We will show that for certain excitations of the string/D3-brane system Neumann boundary conditions emerge from the Born-Infeld dynamics. Here the excitations which are coming down the string with a polarization along a direction parallel to the brane are almost completely reflected just as in the case of all-normal Dirichlet excitations considered by Callan and Maldacena, but now the end of the string moves freely on the 3-brane realizing Polchinski's open string Neumann boundary condition dynamically. In the low energy limit ω → 0, i.e. for wavelengths much larger than the string scale only a small fraction ∼ ω 4 of the energy escapes in the form of dipole radiation. The physical interpretation is that a string attached to the 3-brane manifests itself as an electric charge, and waves on the string cause the end point of the string to freely oscillate and produce e.m. dipole radiation in the asymptotic outer region. The magnitude of emitted power is in fact exactly equal to the one given by Thomson formula in electrodynamics
Energy Technology Data Exchange (ETDEWEB)
Saha, Surajit [Department of Chemistry, Bishnupur Ramananda College, Bishnupur, Bankura 722122, West Bengal (India); Ganguly, Jayanta [Department of Chemistry, Brahmankhanda Basapara High School, Basapara, Birbhum 731215, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.com [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)
2015-07-15
We make a rigorous exploration of the profiles of off-diagonal components of frequency-dependent linear (α{sub xy}, α{sub yx}), first nonlinear (β{sub xyy}, β{sub yxx}), and second nonlinear (γ{sub xxyy}, γ{sub yyxx}) polarizabilities of quantum dots driven by Gaussian white noise. The quantum dot is doped with repulsive Gaussian impurity. Noise has been applied additively and multiplicatively to the system. An external oscillatory electric field has also been applied to the system. Gradual variations of external frequency, dopant location, and noise strength give rise to interesting features of polarizability components. The observations reveal intricate interplay between noise strength and dopant location which designs the polarizability profiles. Moreover, the mode of application of noise also modulates the polarizability components. Interestingly, in case of additive noise the noise strength has no role on polarizabilities whereas multiplicative noise invites greater delicacy in them. The said interplay provides a rather involved framework to attain stable, enhanced, and often maximized output of linear and nonlinear polarizabilities. - Highlights: • Linear and nonlinear polarizabilities of quantum dot are studied. • The polarizability components are off-diagonal and frequency-dependent. • Quantum dot is doped with a repulsive impurity. • Doped system is subject to Gaussian white noise. • Mode of noise application affects polarizabilities.
Soft dipole mode of 11Li in approximation of asymptotic potential
International Nuclear Information System (INIS)
Filippov, G.F.; Lashko, Yu.A.
2001-01-01
The soft dipole mode of 11 Li is studied in the frame of microscopic tri-cluster model and in the asymptotic potential approximation. The theory reproduces well the ground state energy, matter radius and the behaviour of the effective photodisintegration cross section in the range of low energies above the decay threshold of 11 Li. Our calculations point two resonant states in this range [ru
Measurement of the b hadron lifetime with the dipole method
Buskulic, D.; de Bonis, I.; Decamp, D.; Ghez, P.; Goy, C.; Lees, J.-P.; Minard, M.-N.; Pietrzyk, B.; Ariztizabal, F.; Comas, P.; Crespo, J. M.; Delfino, M.; Efthymiopoulos, I.; Fernandez, E.; Fernandez-Bosman, M.; Gaitan, V.; Garrido, Ll.; Mattison, T.; Pacheco, A.; Padilla, C.; Pascual, A.; Creanza, D.; de Palma, M.; Farilla, A.; Iaselli, G.; Maggi, G.; Marinelli, N.; Natali, S.; Nuzzo, S.; Ranieri, A.; Raso, G.; Romano, F.; Ruggieri, F.; Selvaggi, G.; Silvestris, L.; Tempesta, P.; Zito, G.; Chai, Y.; Hu, H.; Huang, D.; Huang, X.; Lin, J.; Wang, T.; Xie, Y.; Xu, D.; Xu, R.; Zhang, J.; Zhang, L.; Zhao, W.; Bonvicini, G.; Boudreau, J.; Casper, D.; Drevermann, H.; Forty, R. W.; Ganis, G.; Gay, C.; Hagelberg, R.; Harvey, J.; Hilgart, J.; Jacobsen, R.; Jost, B.; Knobloch, J.; Lehraus, I.; Maggi, M.; Markou, C.; Martinez, M.; Mato, P.; Meinhard, H.; Minten, A.; Miquel, R.; Moser, H.-G.; Palazzi, P.; Pater, J. R.; Perlas, J. A.; Pusztaszeri, J.-F.; Ranjard, F.; Rolandi, L.; Rothberg, J.; Ruan, T.; Saich, M.; Schlatter, D.; Schmelling, M.; Sefkow, F.; Tejessy, W.; Tomalin, I. R.; Veenhof, R.; Wachsmuth, H.; Wasserbaech, S.; Wiedenmann, W.; Wildish, T.; Witzeling, W.; Wotschack, J.; Ajaltouni, Z.; Badaud, F.; Bardadin-Otwinowska, M.; El Fellous, R.; Falvard, A.; Gay, P.; Guicheney, C.; Henrard, P.; Jousset, J.; Michel, B.; Montret, J.-C.; Pallin, D.; Perret, P.; Podlyski, F.; Proriol, J.; Prulhière, F.; Saadi, F.; Fearnley, T.; Hansen, J. B.; Hansen, J. D.; Hansen, J. R.; Hansen, P. H.; Møllerud, R.; Nilsson, B. S.; Kyriakis, A.; Simopoulou, E.; Siotis, I.; Vayaki, A.; Zachariadou, K.; Badier, J.; Blondel, A.; Bonneaud, G.; Brient, J. C.; Bourdon, P.; Fouque, G.; Orteu, S.; Rougé, A.; Rumpf, M.; Tanaka, R.; Verderi, M.; Videau, H.; Candlin, D. J.; Parsons, M. I.; Veitch, E.; Focardi, E.; Moneta, L.; Parrini, G.; Corden, M.; Georgiopoulos, C.; Ikeda, M.; Levinthal, D.; Antonelli, A.; Baldini, R.; Bencivenni, G.; Bologna, G.; Bossi, F.; Campana, P.; Capon, G.; Cerutti, F.; Chiarella, V.; D'Ettorre-Piazzoli, B.; Felici, G.; Laurelli, P.; Mannocchi, G.; Murtas, F.; Murtas, G. P.; Passalacqua, L.; Pepe-Altarelli, M.; Picchi, P.; Colrain, P.; Ten Have, I.; Lynch, J. G.; Maitland, W.; Morton, W. T.; Raine, C.; Reeves, P.; Scarr, J. M.; Smith, K.; Smith, M. G.; Thompson, A. S.; Turnbull, R. M.; Brandl, B.; Braun, O.; Geweniger, C.; Hanke, P.; Hepp, V.; Kluge, E. E.; Maumary, Y.; Putzer, A.; Rensch, B.; Stahl, A.; Tittel, K.; Wunsch, M.; Beuselinck, R.; Binnie, D. M.; Cameron, W.; Cattaneo, M.; Colling, D. J.; Dornan, P. J.; Greene, A. M.; Hassard, J. F.; Lieske, N. M.; Moutoussi, A.; Nash, J.; Patton, S.; Payne, D. G.; Phillips, M. J.; San Martin, G.; Sedgbeer, J. K.; Wright, A. G.; Girtler, P.; Kuhn, D.; Rudolph, G.; Vogl, R.; Bowdery, C. K.; Brodbeck, T. J.; Finch, A. J.; Foster, F.; Hughes, G.; Jackson, D.; Keemer, N. R.; Nuttall, M.; Patel, A.; Sloan, T.; Snow, S. W.; Whelan, E. P.; Kleinknecht, K.; Raab, J.; Renk, B.; Sander, H.-G.; Schmidt, H.; Walther, S. M.; Wanke, R.; Wolf, B.; Zimmermann, A.; Bencheikh, A. M.; Benchouk, C.; Bonissent, A.; Carr, J.; Coyle, P.; Drinkard, J.; Etienne, F.; Nicod, D.; Papalexiou, S.; Payre, P.; Roos, L.; Rousseau, D.; Schwemling, P.; Talby, M.; Adlung, S.; Assmann, R.; Bauer, C.; Blum, W.; Brown, D.; Cattaneo, P.; Dehning, B.; Dietl, H.; Dydak, F.; Frank, M.; Halley, A. W.; Jakobs, K.; Lauber, J.; Lütjens, G.; Lutz, G.; Männer, W.; Richter, R.; Schröder, J.; Schwarz, A. S.; Settles, R.; Seywerd, H.; Stierlin, U.; Stiegler, U.; St. Denis, R.; Wolf, G.; Alemany, R.; Boucrot, J.; Callot, O.; Cordier, A.; Davier, M.; Duflot, L.; Grivaz, J.-F.; Heusse, Ph.; Jaffe, D. E.; Janot, P.; Kim, D. W.; Le Diberder, F.; Lefrançois, J.; Lutz, A.-M.; Schune, M.-H.; Veillet, J.-J.; Videau, I.; Zhang, Z.; Abbaneo, D.; Bagliesi, G.; Batignani, G.; Bottigli, U.; Bozzi, C.; Calderini, G.; Carpinelli, M.; Ciocci, M. A.; Ciulli, V.; Dell'Orso, R.; Ferrante, I.; Fidecaro, F.; Foà, L.; Forti, F.; Giassi, A.; Giorgi, M. A.; Gregorio, A.; Ligabue, F.; Lusiani, A.; Mannelli, E. B.; Marrocchesi, P. S.; Messineo, A.; Palla, F.; Rizzo, G.; Sanguinetti, G.; Spagnolo, P.; Steinberger, J.; Tenchini, R.; Tonelli, G.; Triggiani, G.; Valassi, A.; Vannini, C.; Venturi, A.; Verdini, P. G.; Walsh, J.; Betteridge, A. P.; Gao, Y.; Green, M. G.; March, P. V.; Mir, Ll. M.; Medcalf, T.; Quazi, I. S.; Strong, J. A.; West, L. R.; Botterill, D. R.; Clifft, R. W.; Edgecock, T. R.; Haywood, S.; Norton, P. R.; Thompson, J. C.; Bloch-Devaux, B.; Colas, P.; Duarte, H.; Emery, S.; Kozanecki, W.; Lançon, E.; Lemaire, M. C.; Locci, E.; Marx, B.; Perez, P.; Rander, J.; Renardy, J.-F.; Rosowsky, A.; Roussarie, A.; Schuller, J.-P.; Schwindling, J.; Si Mohand, D.; Vallage, B.; Johnson, R. P.; Litke, A. M.; Taylor, G.; Wear, J.; Ashman, J. G.; Babbage, W.; Booth, C. N.; Buttar, C.; Cartwright, S.; Combley, F.; Dawson, I.; Thompson, L. F.; Barbeiro, E.; Böhrer, A.; Brandt, S.; Cowan, G.; Grupen, C.; Lutters, G.; Rivera, F.; Schäfer, U.; Smolik, L.; Bosisio, L.; Della Marina, R.; Giannini, G.; Gobbo, B.; Ragusa, F.; Bellantoni, L.; Chen, W.; Conway, J. S.; Feng, Z.; Ferguson, D. P. S.; Gao, Y. S.; Grahl, J.; Harton, J. L.; Hayes, O. J.; Nachtman, J. M.; Pan, Y. B.; Saadi, Y.; Schmitt, M.; Scott, I.; Sharma, V.; Shi, Z. H.; Turk, J. D.; Walsh, A. M.; Weber, F. V.; Sau Lan Wu; Wu, X.; Zheng, M.; Zobernig, G.; Aleph Collaboration
1993-09-01
A measurement of the average lifetime of b hadrons has been performed with dipole method on a sample of 260 000 hadronic Z decays recorded with the ALEPH detector during 1991. The dipole is the distance between the vertices built in the opposite hemispheres. The mean dipole is extracted from all the events without attempting b enrichment. Comparing the average of the data dipole distribution with a Monte Carlo calibration curve obtained with different b lifetimes, an average b hadron lifetime of 1.51±0.08 ps is extracted.
Enhanced terahertz magnetic dipole response by subwavelength fiber
DEFF Research Database (Denmark)
Atakaramians, Shaghik; Shadrivov, Ilya V.; Miroshnichenko, Andrey E.
2018-01-01
Dielectric sub-wavelength particles have opened up a new platform for realization of magnetic light. Recently, we have demonstrated that a dipole emitter by a sub-wavelength fiber leads to an enhanced magnetic response. Here, we experimentally demonstrate an enhanced magnetic dipole source......-fiber system excited by a magnetic source. This coupled magnetic dipole and optical fiber system can be considered a unit cell of metasurfaces for manipulation of terahertz radiation and is a proof-of-concept of a possibility to achieve enhanced radiation of a dipole source in proximity of a sub...
Yu, Yue; Luo, Zhuxi; Wang, Ziqiang
2014-07-01
We show that the dipole-dipole coupling between Wannier modes in cigar-shaped Bose-Einstein condensates (BECs) is significantly enhanced while the short-range coupling is strongly suppressed. As a result, the dipole-dipole interaction can become the dominant interaction between ultracold alkali Bose atoms. In the long length limit of a cigar-shaped BEC, the resulting effective one-dimensional models possess an effective inverse squared interacting potential, the Calogero-Sutherland potential, which plays a fundamental role in many fields of contemporary physics; but its direct experimental realization has been a challenge for a long time. We propose to realize the Calogero-Sutherland model in ultracold alkali Bose atoms and study the effects of the dipole-dipole interaction.
Energy Technology Data Exchange (ETDEWEB)
Ganguly, Jayanta [Department of Chemistry, Brahmankhanda Basapara High School, Basapara, Birbhum 731 215, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.com [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)
2015-02-02
Highlights: • Linear and nonlinear polarizabilities of quantum dot are studied. • Quantum dot is doped with a repulsive impurity. • Doped system is subject to Gaussian white noise. • Dopant migrates under damped condition. • Noise-damping coupling affects polarizabilities. - Abstract: We investigate the profiles of diagonal components of static and frequency-dependent linear, first, and second nonlinear polarizabilities of repulsive impurity doped quantum dot. We have considered propagation of dopant within an environment that damps the motion. Simultaneous presence of noise inherent to the system has also been considered. The dopant has a Gaussian potential and noise considered is a Gaussian white noise. The doped system is exposed to an external electric field which could be static or time-dependent. Noise undergoes direct coupling with damping and the noise-damping coupling strength appears to be a crucial parameter that designs the profiles of polarizability components. This happens because the coupling strength modulates the dispersive and asymmetric character of the system. The frequency of external field brings about additional features in the profiles of polarizability components. The present investigation highlights some useful features in the optical properties of doped quantum dots.
CP-odd phase correlations and electric dipole moments
International Nuclear Information System (INIS)
Olive, Keith A.; Pospelov, Maxim; Ritz, Adam; Santoso, Yudi
2005-01-01
We revisit the constraints imposed by electric dipole moments (EDMs) of nucleons and heavy atoms on new CP-violating sources within supersymmetric theories. We point out that certain two-loop renormalization group corrections induce significant mixing between the basis-invariant CP-odd phases. In the framework of the constrained minimal supersymmetric standard model, the CP-odd invariant related to the soft trilinear A-phase at the grand unified theory (GUT) scale, θ A , induces nontrivial and distinct CP-odd phases for the three gaugino masses at the weak scale. The latter give one-loop contributions to EDMs enhanced by tanβ, and can provide the dominant contribution to the electron EDM induced by θ A . We perform a detailed analysis of the EDM constraints within the constrained minimal supersymmetric standard model, exhibiting the reach, in terms of sparticle spectra, which may be obtained assuming generic phases, as well as the limits on the CP-odd phases for some specific parameter points where detailed phenomenological studies are available. We also illustrate how this reach will expand with results from the next generation of experiments which are currently in development
Atom interferometry experiments with lithium. Accurate measurement of the electric polarizability
International Nuclear Information System (INIS)
Miffre, A.
2005-06-01
Atom interferometers are very sensitive tools to make precise measurements of physical quantities. This study presents a measurement of the static electric polarizability of lithium by atom interferometry. Our result, α = (24.33 ± 0.16)*10 -30 m 3 , improves by a factor 3 the most accurate measurements of this quantity. This work describes the tuning and the operation of a Mach-Zehnder atom interferometer in detail. The two interfering arms are separated by the elastic diffraction of the atomic wave by a laser standing wave, almost resonant with the first resonance transition of lithium atom. A set of experimental techniques, often complicated to implement, is necessary to build the experimental set-up. After a detailed study of the atom source (a supersonic beam of lithium seeded in argon), we present our experimental atom signals which exhibit a very high fringe visibility, up to 84.5 % for first order diffraction. A wide variety of signals has been observed by diffraction of the bosonic isotope at higher diffraction orders and by diffraction of the fermionic less abundant isotope. The quality of these signals is then used to do very accurate phase measurements. A first experiment investigates how the atom interferometer signals are modified by a magnetic field gradient. An absolute measurement of lithium atom electric polarizability is then achieved by applying a static electric field on one of the two interfering arms, separated by only 90 micrometers. The construction of such a capacitor, its alignment in the experimental set-up and its operation are fully detailed.We obtain a very accurate phase measurement of the induced Lo Surdo - Stark phase shift (0.07 % precision). For this first measurement, the final uncertainty on the electric polarizability of lithium is only 0.66 %, and is dominated by the uncertainty on the atom beam mean velocity, so that a further reduction of the uncertainty can be expected. (author)
Electromagnetic Scattering of Finite and Infinite 3D Lattices in Polarizable Backgrounds
International Nuclear Information System (INIS)
Gallinet, Benjamin; Martin, Olivier J. F.
2009-01-01
A novel method is elaborated for the electromagnetic scattering from periodical arrays of scatterers embedded in a polarizable background. A dyadic periodic Green's function is introduced to calculate the scattered electric field in a lattice of dielectric or metallic objects. The method exhibits strong advantages: discretization and computation of the field are restricted to the volume of the scatterers in the unit cell, open and periodic boundary conditions for the electric field are included in the Green's tensor, and finally both near and far-fields physics are directly revealed, without any additional computational effort. Promising applications include the design of periodic structures such as frequency-selective surfaces, photonic crystals and metamaterials.
Polarizable Embedding Based on Multiconfigurational Methods: Current Developments and the Road Ahead
DEFF Research Database (Denmark)
Hedegård, Erik D.; Jensen, H. J. A.; Kongsted, J.
2014-01-01
This perspective gives a brief overview of recent developments within the polarizable embedding (PE) method - a multiscale approach developed over the last years. In particular, we are concerned with a recent coupling of the PE method to a multiconfiguration self-consistent field (MCSCF) code......-srDFT). A short discussion of CAS active spaces is also given. A few sample results using a retinal chromophore surrounded by a protein environment illustrate both the importance of the choice of active space and the importance of dynamical correlation. (C) 2014 Wiley Periodicals, Inc....
Dynamical polarizability of graphene irradiated by circularly polarized ac electric fields
DEFF Research Database (Denmark)
Busl, Maria; Platero, Gloria; Jauho, Antti-Pekka
2012-01-01
We examine the low-energy physics of graphene in the presence of a circularly polarized electric field in the terahertz regime. Specifically, we derive a general expression for the dynamical polarizability of graphene irradiated by an ac electric field. Several approximations are developed...... that allow one to develop a semianalytical theory for the weak-field regime. The ac field changes qualitatively the single- and many-electron excitations of graphene: Undoped samples may exhibit collective excitations (in contrast to the equilibrium situation), and the properties of the excitations in doped...
Cammi, Roberto
2013-01-01
This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devoted to the description of the basic features of the PCM model, and to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules.
DEFF Research Database (Denmark)
List, Nanna Holmgaard; Coriani, Sonia; Kongsted, Jacob
2014-01-01
We present an extension of a previously reported implementation of a Lanczos-driven coupled-cluster (CC) damped linear response approach to molecules in condensed phases, where the effects of a surrounding environment are incorporated by means of the polarizable embedding formalism. We...... by confirming numerically the validity of the routinely invoked neglect of the J matrix contribution as well as motivating future use of the approximation that offers a reduction of the dimensionality of the eigenvalue problem. Preliminary applications to K-edge absorption of liquid water and aqueous acrolein...
Relativistic Quadrupole Polarizability for the Ground State of Hydrogen-Like Ions
International Nuclear Information System (INIS)
Zhang Yong-Hu; Zhang Xian-Zhou; Tang Li-Yan; Shi Ting-Yun; Mitroy Jim
2012-01-01
The static quadrupole polarizabilities for hydrogen-like ions from Z = 1 to Z = 100 in the 1S 1/2 ground state are calculated to high precision by solving the Dirac equation using the B-spline Galerkin method. The results are consistent with the expression of Kaneko [J. Phys. B 10 (1977) 3347] at low Z. The quadrupole oscillator strength sum Σ n f (2) gn is computed to be zero to a very high degree of precision. (atomic and molecular physics)
Self-consistent nonlinearly polarizable shell-model dynamics for ferroelectric materials
International Nuclear Information System (INIS)
Mkam Tchouobiap, S.E.; Kofane, T.C.; Ngabireng, C.M.
2002-11-01
We investigate the dynamical properties of the polarizable shellmodel with a symmetric double Morse-type electron-ion interaction in one ionic species. A variational calculation based on the Self-Consistent Einstein Model (SCEM) shows that a theoretical ferroelectric (FE) transition temperature can be derive which demonstrates the presence of a first-order phase transition for the potassium selenate (K 2 SeO 4 ) crystal around Tc 91.5 K. Comparison of the model calculation with the experimental critical temperature yields satisfactory agreement. (author)
Domain nucleation in the contact layer at an interface of water and a polarizable substrate
Shevkunov, S. V.
2013-10-01
The growth of a molecular water film on the basic plane of a silver iodide monocrystal is studied through computer simulation. Decomposition into domains with spontaneous polarization is observed in the contact layer of the film at the interface with the substrate. The formation of domains is found to be sharply enhanced on a model substrate with the double polarizability of iodine ions; heteropolarization interactions caused by the formation of domain structures increase the film's coupling with the substrate. It is demonstrated that the vapor pressure needed for molecular film growth is reduced appreciably via heteropolarization interactions.
Carbon coating of the SPS dipole chambers
Costa Pinto, P.; Chiggiato, P.; Edwards, P.; Mensi, M.; Neupert, H.; Taborelli, M.; Yin-Vallgren, C.
2013-04-22
The Electron Multipacting (EM) phenomenon is a limiting factor for the achievement of high luminosity in accelerators for positively charged particles and for the performance of RF devices. At CERN, the Super Proton Synchrotron (SPS) must be upgraded in order to feed the Large Hadron Collider (LHC) with 25 ns bunch spaced beams. At such small bunch spacing, EM may limit the performance of the SPS and consequently that of the LHC. To mitigate this phenomenon CERN is developing a carbon thin film coating with low Secondary Electron Yield (SEY) to coat the internal walls of the SPS dipoles beam pipes. This paper presents the progresses in the coating technology, the performance of the carbon coatings and the strategy for a large scale production.
Dipole-sheet multipole magnets for accelerators
International Nuclear Information System (INIS)
Walstrom, P.L.
1993-01-01
The dipole-sheet formalism can be used to describe both cylindrical current-sheet multipole magnets and cylindrical-bore magnets made up of permanent magnet blocks. For current sheets, the formalism provides a natural way of finding a finite set of turns that approximate a continuous distribution. The formalism is especially useful In accelerator applications where large-bore, short, high-field-quality magnets that are dominated by fringe fields are needed. A further advantage of the approach is that in systems with either open or cylindrically symmetric magnetic boundaries, analytical expressions for the three-dimensional fields that are suitable for rapid numerical evaluation can be derived. This development is described in some detail. Also, recent developments in higher-order particle-beam optics codes based on the formalism are described briefly
Exotic fermions and electric dipole moments
International Nuclear Information System (INIS)
Joshipura, A.S.
1991-01-01
The contributions of mirror fermions to the electric dipole moments (EDM's) of leptons and neutrons are studied using the available limits on the mixing of the relevant fermions to their mirror partners. These limits imply EDM's several orders of magnitude larger than the current experimental bounds in the case of the electron and the neutron if the relevant CP-violating phases are not unnaturally small. If these phases are large, then the bounds on the EDM's can be used to improve upon the limits on mixing between the ordinary (f) and the mirror (F) fermions. In the specific case of the latter mixing angle being given by (m f /M F ) 1/2 , one can obtain the electron and the neutron EDM's close to experimental bounds
Directional Dipole Model for Subsurface Scattering
DEFF Research Database (Denmark)
Frisvad, Jeppe Revall; Hachisuka, Toshiya; Kjeldsen, Thomas Kim
2014-01-01
Rendering translucent materials using Monte Carlo ray tracing is computationally expensive due to a large number of subsurface scattering events. Faster approaches are based on analytical models derived from diffusion theory. While such analytical models are efficient, they miss out on some...... translucency effects in the rendered result. We present an improved analytical model for subsurface scattering that captures translucency effects present in the reference solutions but remaining absent with existing models. The key difference is that our model is based on ray source diffusion, rather than...... similar to that of the standard dipole model, but we now have positive and negative ray sources with a mirrored pair of directions. Our model is as computationally efficient as existing models while it includes single scattering without relying on a separate Monte Carlo simulation, and the rendered images...
Concentric Titled Double-Helix Dipole Magnets
International Nuclear Information System (INIS)
Rainer Meinke, Ph.D; Carl Goodzeit; Millicent Ball, Ph.D
2003-01-01
The high magnetic fields required for future accelerator magnets can only be achieved with Nb3Sn, other A15 or HTS type conductors, which are brittle and sensitive to mechanical strain. The traditional ''cosine-theta'' dipole configuration has intrinsic drawbacks that make it difficult and expensive to employ such conductors in these designs. Some of these problems involve (1) difficulty in applying enough pre-stress to counteract Lorentz forces without compromising conductor performance; (2) small minimum bend radii of the conductor necessitating the intricate wind-and-react coil fabrication; (3) complex spacers in particular for coil ends and expensive tooling for coil fabrication; (4) typically only 2/3 of the coil aperture can be used with achievable field uniformity
Martínez-Flores, C.; Cabrera-Trujillo, R.
2018-03-01
We report the electronic properties of a hydrogen atom confined by a fullerene molecule by obtaining the eigenvalues and eigenfunctions of the time-independent Schrödinger equation by means of a finite-differences approach. The hydrogen atom confinement by a C60 fullerene cavity is accounted for by two model potentials: a square-well and a Woods–Saxon. The Woods–Saxon potential is implemented to study the role of a smooth cavity on the hydrogen atom generalized oscillator strength distribution. Both models characterize the cavity by an inner radius R 0, thickness Δ, and well depth V 0. We use two different values for R 0 and Δ, found in the literature, that characterize H@C60 to analyze the role of the fullerene cage size and width. The electronic properties of the confined hydrogen atom are reported as a function of the well depth V 0, emulating different electronic configurations of the endohedral cavity. We report results for the hyper-fine splitting, nuclear magnetic screening, dipole oscillator strength, the static and dynamic polarizability, mean excitation energy, photo-ionization, and stopping cross section for the confined hydrogen atom. We find that there is a critical potential well depth value around V 0 = 0.7 a.u. for the first set of parameters and around V 0 = 0.9 a.u. for the second set of parameters, which produce a drastic change in the electronic properties of the endohedral hydrogen system. These values correspond to the first avoided crossing on the energy levels. Furthermore, a clear discrepancy is found between the square-well and Woods–Saxon model potential results on the hydrogen atom generalized oscillator strength due to the square-well discontinuity. These differences are reflected in the stopping cross section for protons colliding with H@C60.
Dipole power supply for National Synchrotron Light Source Booster upgrade
International Nuclear Information System (INIS)
Olsen, R.; Dabrowski, J.; Murray, J.
1992-01-01
The booster at the NSLS is being upgraded from .75 to 2 pulses per second. To accomplish this, new power supplies for the dipole, quadrupole, and sextupole magnets have been designed and are being constructed. This paper will outline the design of the dipole power supply and control system, and will present results obtained thus far
Quantum calculation of dipole excitation in fusion reaction
International Nuclear Information System (INIS)
Simenel, C.; Chomaz, Ph.; De France, G.
2000-01-01
The excitation of the giant dipole resonance by fusion is studied with N/Z asymmetry in the entrance channel. The TDHF solution exhibits a strong dipole vibration which can be associated with a giant vibration along the main axis of a fluctuating prolate shape. The consequences on the gamma-ray emission from hot compound nuclei are discussed. (author)
Neutrino structure functions in the QCD dipole picture
Energy Technology Data Exchange (ETDEWEB)
Gay Ducati, M.B.; Machado, M.M. [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Inst. de Fisica. High Energy Physics Phenomenology Group - GFPAE; Machado, M.V.T. [Universidade Federal do Pampa (UNIPAMPA), Bage, RS (Brazil)
2007-06-15
In this contribution we present an exploratory QCD analysis of the neutrino structure functions in charged current DIS using the color dipole formalism. The corresponding dipole cross sections are taken from recent phenomenological and theoretical studies in deep inelastic inclusive production, including nuclear shadowing corrections. The theoretical predictions are compared to the available experimental results in the small-x region. (author)
Helical dipole magnets for polarized protons in RHIC
International Nuclear Information System (INIS)
Syphers, M.; Courant, E.; Fischer, W.
1997-01-01
Superconducting helical dipole magnets will be used in the Brookhaven Relativistic Heavy Ion Collider (RHIC) to maintain polarization of proton beams and to perform localized spin rotations at the two major experimental detector regions. Requirements for the helical dipole system are discussed, and magnet prototype work is reported
The status of the electric dipole moment of the neutron
International Nuclear Information System (INIS)
Grimus, W.
1990-01-01
The electric dipole moment of particles in quantum mechanics and quantum field theory is discussed. Furthermore, calculations of the neutron electric dipole moment in the standard model and several of its low-energy extensions are reviewed. 47 refs., 7 figs. (Author)
Understanding hydrogen bonding and determination of in-crystal dipol
Indian Academy of Sciences (India)
Wintec
asparaginium ion and the picrate in the other complex. We have additionally performed theoretical calcu- lations at the density functional theory (DFT) level to understand the origin of enhancement of the dipole moments in the two systems. Keywords. X-ray diffraction; experimental charge density; hydrogen bonding; dipole ...
A summary of SSC dipole magnet field quality measurements
International Nuclear Information System (INIS)
Wanderer, P.; Anerella, M.; Cottingham, J.; Ganetis, G.; Garber, M.; Ghosh, A.; Greene, A.; Gupta, R.; Jain, A.; Kahn, S.; Kelly, E.; Morgan, G.; Muratore, J.; Prodell, A.; Rehak, M.; Rohrer, E.P.; Sampson, W.; Shutt, R.; Thomas, R.; Thompson, P.; Willen, E.; Devred, A.; Bush, T.; Coombes, R.; DiMarco, J.; Goodzeit, C.; Kuzminski, J.; Nah, W.; Ogitsu, T.; Puglisi, M.; Radusewicz, P.; Sanger, P.; Schermer, R.; Tompkins, J.; Turner, J.; Yu, Y.; Zhao, Y.; Zheng, H.; Bleadon, M.; Bossert, R.; Carson, J.; Delchamps, S.; Gourlay, S.; Hanft, R.; Koska, W.; Kuchnir, M.; Lamm, M.; Mantsch, P.; Mazur, P.O.; Orris, D.; Peterson, T.; Strait, J.; Wake, M.; Royet, J.; Scanlan, R.; Taylor, C.
1992-01-01
This paper reports results of field quality measurements of the initial 15 m-long, 50 mm- aperture SSC Collider dipoles tested at Brookhaven National Laboratory and Fermi National Laboratory. These data include multipole coefficients and the dipole angle at room temperature and 4.35 K, 4.35 K integral field measurements, and time-dependent effects. Systematic uncertainties are also discussed
Diagnostics of the Fermilab Tevatron using an AC dipole
Miyamoto, Ryoichi
The Fermilab Tevatron is currently the world's highest energy colliding beam facility. Its counter-rotating proton and antiproton beams collide at 2 TeV center-of-mass. Delivery of such intense beam fluxes to experiments has required improved knowledge of the Tevatron's beam optical lattice. An oscillating dipole magnet, referred to as an AC dipole, is one of such a tool to non-destructively assess the optical properties of the synchrotron. We discusses development of an AC dipole system for the Tevatron, a fast-oscillating (f˜20 kHz) dipole magnet which can be adiabatically turned on and off to establish sustained coherent oscillations of the beam particles without affecting the transverse emittance. By utilizing an existing magnet and a higher power audio amplifier, the cost of the Tevatron AC dipole system became relatively inexpensive. We discuss corrections which must be applied to the driven oscillation measurements to obtain the proper interpretation of beam optical parameters from AC dipole studies. After successful operations of the Tevatron AC dipole system, AC dipole systems, similar to that in the Tevatron, will be build for the CERN LHC. We present several measurements of linear optical parameters (beta function and phase advance) for the Tevatron, as well as studies of non-linear perturbations from sextupole and octupole elements.
Quantum transfer energy in the framework of time-dependent dipole-dipole interaction
El-Shishtawy, Reda M.; Haddon, Robert C.; Al-Heniti, Saleh H.; Raffah, Bahaaudin M.; Berrada, K.; Abdel-Khalek, S.; Al-Hadeethi, Yas F.
2018-03-01
In this work, we examine the process of the quantum transfer of energy considering time-dependent dipole-dipole interaction in a dimer system characterized by two-level atom systems. By taking into account the effect of the acceleration and speed of the atoms in the dimer coupling, we demonstrate that the improvement of the probability for a single-excitation transfer energy extremely benefits from the incorporation of atomic motion effectiveness and the energy detuning. We explore the relevance between the population and entanglement during the time-evolution and show that this kind of nonlocal correlation may be generated during the process of the transfer of energy. Our work may provide optimal conditions to implement realistic experimental scenario in the transfer of the quantum energy.
Directory of Open Access Journals (Sweden)
L. Alfano
1998-06-01
Full Text Available We present some results of a geoelectrical investigation program conducted in the Northern Apennines, namely in the Val d'Aveto and Bobbio window and surrounding areas. Field activity included the execution of more than 50 vertical electrical soundings with continuous polar dipole-dipole spread. We image the geometries of some deep geological structures; in particular we found a resistive background, whose resistivity is different along the geoelectrical profiles. In our interpretation the resistive background consists of subligurid and tuscan units underlying the alloctone Ligurid units in the area surrounding the Val d'Aveto and Bobbio window. The resistive background was not found, at least at the same depths, toward north-east. Therefore, the geoelectrical survey revealed the position of the front of the subligurid and Tuscan nappes toward the plain for a depth of about one kilometer.
Energy Technology Data Exchange (ETDEWEB)
Ganguly, Jayanta [Department of Chemistry, Brahmankhanda Basapara High School, Basapara, Birbhum 731215, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.com [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)
2014-05-07
We investigate the profiles of diagonal components of frequency-dependent first nonlinear (β{sub xxx} and β{sub yyy}) optical response of repulsive impurity doped quantum dots. We have assumed a Gaussian function to represent the dopant impurity potential. This study primarily addresses the role of noise on the polarizability components. We have invoked Gaussian white noise consisting of additive and multiplicative characteristics (in Stratonovich sense). The doped system has been subjected to an oscillating electric field of given intensity, and the frequency-dependent first nonlinear polarizabilities are computed. The noise characteristics are manifested in an interesting way in the nonlinear polarizability components. In case of additive noise, the noise strength remains practically ineffective in influencing the optical responses. The situation completely changes with the replacement of additive noise by its multiplicative analog. The replacement enhances the nonlinear optical response dramatically and also causes their maximization at some typical value of noise strength that depends on oscillation frequency.
On the state space of the dipole ghost
International Nuclear Information System (INIS)
Binegar, B.
1984-01-01
A particular representation of SO(4, 2) is identified with the state space of the free dipole ghost. This representation is then given an explicit realization as the solution space of a 4th-order wave equation on a spacetime locally isomorphic to Minkowski space. A discrete basis for this solution space is given, as well as an explicit expression for its SO(4, 2) invariant inner product. The connection between the modes of dipole field and those of the massless scalar field is clarified, and a recent conjecture concerning the restriction of the dipole representation to the Poincare subgroup is confirmed. A particular coordinate transformation then reveals the theory of the dipole ghost in Minkowski space. Finally, it is shown that the solution space of the dipole equation is not unitarizable in a Poincare invariant manner. (orig.)
Effects of dipole magnet inhomogeneities on the beam ellipsoid
International Nuclear Information System (INIS)
Tsoupas, N.; Colman, J.; Levine, M.; McKenzie-Wilson, R.; Ward, T.; Grand, P.
1986-01-01
The RAYTRACE computer code has been modified to accept magnetic fields measured in the median plane of a dipole magnet. This modification allows one to study the effects of a non-ideal dipole magnet on the beam ellipsoid (as defined by the TRANSPORT code manual). The effects on the beam ellipsoid are due to: field inhomogeneities in the interior region of the dipole, and discrepancies from design conditions of the magnetic field values in the fringe field region. The results of the RAYTRACE code calculations based on experimentally measured fields will be compared with the results derived using both an ideal (no inhomogeneities) dipole with SCOFF boundaries and an ideal dipole with perfect (according to design) fringe fields
The dipole anisotropy of AllWISE galaxies
Rameez, M.; Mohayaee, R.; Sarkar, S.; Colin, J.
2018-03-01
We determine the dipole in the WISE galaxy catalogue. After reducing star contamination to reduces but stabilises at ˜0.012, corresponding to a velocity >1000 km/s if it is solely of kinematic origin. However, previous studies have shown that only ˜70% of the velocity of the Local Group as inferred from the CMB dipole is due to sources at z 240 km/s extending to z > 0.03) that we do. We construct mock catalogues in the neighbourhood of such peculiar observers in order to mimic our final galaxy selection and quantify the residual clustering dipole. After subtracting this the remaining dipole is 0.0048 ± 0.0022, corresponding to a velocity of 420 ± 213 km/s which is consistent with the CMB. However the sources (at z > 0.03) of such a large clustering dipole remain to be identified.
The 11 T Dipole for HL-LHC: Status and Plan
Savary, F; Bordini, B; Bottura, L; Chlachidze, G; Ramos, D; Izquierdo Bermudez, S; Karppinen, M; Lackner, F; Loffler, C H; Moron-Ballester, R; Nobrega, A; Perez, J C; Prin, H; Smekens, D; de Rijk, G; Redaelli, S; Rossi, L; Willering, G; Zlobin, A V; Giovannozzi, M
2016-01-01
The upgrade of the Large Hadron Collider (LHC) collimation system includes additional collimators in the LHC lattice. The longitudinal space for these collimators will be created by replacing some of the LHC main dipoles with shorter but stronger dipoles compatible with the LHC lattice and main systems. The project plan comprises the construction of two cryoassemblies containing each of the two 11-T dipoles of 5.5-m length for possible installation on either side of interaction point 2 of LHC in the years 2018-2019 for ion operation, and the installation of two cryoassemblies on either side of interaction point 7 of LHC in the years 2023-2024 for proton operation. The development program conducted in conjunction between the Fermilab and CERN magnet groups is progressing well. The development activities carried out on the side of Fermilab were concluded in the middle of 2015 with the fabrication and test of a 1-m-long two-in-one model and those on the CERN side are ramping up with the construction of 2-m-long ...
A Finite Element Model for Mechanical Analysis of LHC Main Dipole Magnet Coils
Pojer, Mirko; Scandale, Walter
2007-01-01
After years of studies and observations, the mechanical stability of the LHC main dipole magnets still remains an open issue. The robustness of these magnets has already been asserted and their reliability in operation is not far from being proven. However, anomalous mechanical behaviors sometimes observed are not yet completely understood. A finite element model, which has been recently developed at CERN, aims at providing an instrument for better explaining these anomalies. Cable modeling and contact between elements, friction and mechanical hysteresis are the key features of this model. The simulation of the hysteresis experienced by the coil during collaring, presented here, is the starting point for the representation of the whole life cycle of the dipole coil.
Band gap and polarizability of boro-tellurite glass: Influence of erbium ions
Said Mahraz, Zahra Ashur; Sahar, M. R.; Ghoshal, S. K.
2014-08-01
Understanding the influence of rare earth ions in improving the structural and optical properties of inorganic glasses are the key issues. Er3+-doped zinc boro-tellurite glasses with composition 30B2O3-10ZnO-(60-x) TeO2-xEr2O3 are prepared (x = 0, 0.5, 1, 1.5 and 2 mol%) using melt quenching technique. The physical and optical characterizations are measured by density and UV-Vis-IR absorption spectroscopy. The color of the glass changed from light yellow to deep pink due to the introduction of Er3+ ions. The maximum density is found to be ∼4.73 g cm-3 for 1 mol% of Er3+ doping. The variations in the polarizability (6.7-6.8 cm3) and the molar volume (27.987-28.827 cm3 mol-1) with dopant concentration are ascribed to the formation of non-bridging oxygen. This observation is consistent with the alteration of number of bonds per unit volume. The direct and indirect optical band gaps are increased while the phonon cut-off wavelength and Urbach energy decreased with the increase of erbium content. A high density and wide transparency range in VIS-IR area are achieved. Our results on high refractive index (∼2.416) and polarizability suggest that these glasses are potential for photonics, solid state lasers and communications devices.
On a relationship between molecular polarizability and partial molar volume in water.
Ratkova, Ekaterina L; Fedorov, Maxim V
2011-12-28
We reveal a universal relationship between molecular polarizability (a single-molecule property) and partial molar volume in water that is an ensemble property characterizing solute-solvent systems. Since both of these quantities are of the key importance to describe solvation behavior of dissolved molecular species in aqueous solutions, the obtained relationship should have a high impact in chemistry, pharmaceutical, and life sciences as well as in environments. We demonstrated that the obtained relationship between the partial molar volume in water and the molecular polarizability has in general a non-homogeneous character. We performed a detailed analysis of this relationship on a set of ~200 organic molecules from various chemical classes and revealed its fine well-organized structure. We found that this structure strongly depends on the chemical nature of the solutes and can be rationalized in terms of specific solute-solvent interactions. Efficiency and universality of the proposed approach was demonstrated on an external test set containing several dozens of polyfunctional and druglike molecules.
Energy Technology Data Exchange (ETDEWEB)
Labidi, N.S., E-mail: labidi2006@univ-usto.d [Department of chemistry, Faculty of sciences, University of the Sciences and Technology of Oran (U.S.T.O.MB), BP-1505 Oran El-M' naouer, 31000 (Algeria); Djebaili, A. [Faculte des Sciences, Universite de Batna, 05000 (Algeria)
2010-05-25
The static polarizabilities {alpha} for a series of substituted hexatriene molecules of the NO{sub 2}-(CH=CH){sub 3}-D and NO{sub 2}-(CH=CH){sub 3}-A types (D, A = N(Me){sub 2}, Br, OCH{sub 3},CH{sub 3}, NH{sub 2}, Cl, OH, F, COCN, C{sub 2}H, COF, NO, CHO, CN, CF{sub 3}) have been computed using DFT method at B3LYP/6-311 G(d,p) level of theory. Our results allowed to sort out the considered {Pi}-donor and {Pi}-acceptor substituents by decreasing static isotropic {alpha} value. An excellent agreement between the DFT and PM6 results, they give a correlation coefficient of 0.97. Miller QSAR-quality polarizability calculations give a correlation coefficient of 0.99 when compared with B3LYP/6-311G(d,p) values. Empirical models based on molecular volumes give unrealistic values for <{alpha}> but these values correlate well 0.97 with B3LYP/6-311G(d,p) results.
Přibyl, Michal; Slouka, Zdeněk
2015-11-01
Recent progress in material chemistry and surface engineering has led to emergence of new electrode materials with unique physical and electrochemical properties. Here, we introduce a physical model describing charging of ideal polarizable electrode-electrolyte interface where the electrode is characterized by a limited capacity to store charge. The analytical model treats the electrode and electrolyte phases as independent nonlinear capacitors that are eventually coupled through the condition of equality of the total stored electrical charge opposite in sign. Gouy-Chapman and condensed layer theories applied to a general 1:n valent electrolyte are used to predict dependencies of differential capacitance of the electrolyte phase and surface concentration of the electrical charge on the applied potential. The model of the nonlinear capacitor for the electrode phase is described by a theory of electron donors and acceptors present in conductive solids as a result of thermal fluctuations. Both the differential capacitance and the surface concentration of the electrical charge in the electrode are evaluated as functions of the applied potential and related to the capacity of the electrode phase to accumulate charge and its ability to form electron donors and acceptors. The knowledge of capacitive properties of both phases allows to predict electrochemical characteristics of ideal polarizable interfaces, e.g., current responses in linear sweep voltammetry. The coupled model also shows significant potential drops in the electrode comparable to those in the electrolyte phase for materials with low charge carrier concentrations.
Magnetic Analysis of a Single-Aperture 11T Nb3Sn Demonstrator Dipole for LHC Upgrades
Energy Technology Data Exchange (ETDEWEB)
Auchmann, B. [CERN; Karppinen, M. [CERN; Kashikhin, V. [Fermilab; Zlobin, A. V. [Fermilab
2012-05-01
The planned upgrade of the LHC collimation system foresees additional collimators to be installed in the dispersion suppressor areas around points 2, 3, and 7. The necessary longitudinal space for the collimators could be provided by replacing some 8.33-T 15-m-long NbTi LHC main dipoles with shorter 11-T Nb3Sn dipoles compatible with the LHC lattice and main systems. To demonstrate this possibility, in 2011 Fermilab and CERN started a joint R&D program with the goal of building a 5.5-m-long tw in-aperture dipole prototype suitable for installation in the LHC by 2014. The first step of this program is the development of a 2-m-long single-aperture demonstration dipole with the nominal field of 11 T at the LHC nominal current of ~11.85 kA and 60-m m bore with ~20% margin. This paper presents the results of magnetic analysis of the single-aperture Nb3Sn demonstrator dipole for the LHC collimation system upgrade.
Interaction between two magnetic dipoles in a uniform magnetic field
Ku, J. G.; Liu, X. Y.; Chen, H. H.; Deng, R. D.; Yan, Q. X.
2016-02-01
A new formula for the interaction force between two magnetic dipoles in a uniform magnetic field is derived taking their mutual magnetic interaction into consideration and used to simulate their relative motion. Results show that when the angle β between the direction of external magnetic field and the centerline of two magnetic dipoles is 0 ° or 90 °, magnetic dipoles approach each other or move away from each other in a straight line, respectively. And the time required for them to contact each other from the initial position is related to the specific susceptibility and the diameter of magnetic particles, medium viscosity and magnetic field strength. When β is between 0 ° and 90 °, magnetic dipole pair performs approximate elliptical motion, and the motion trajectory is affected by the specific susceptibility, diameter and medium viscosity but not magnetic field strength. However, time required for magnetic dipoles to complete the same motion trajectory is shorter when adopting stronger magnetic field. Moreover, the subsequent motion trajectory of magnetic dipoles is ascertained once the initial position is set in a predetermined motion trajectory. Additionally, magnetic potential energy of magnetic dipole pairs is transformed into kinetic energy and friction energy during the motion.
Interaction between two magnetic dipoles in a uniform magnetic field
Directory of Open Access Journals (Sweden)
J. G. Ku
2016-02-01
Full Text Available A new formula for the interaction force between two magnetic dipoles in a uniform magnetic field is derived taking their mutual magnetic interaction into consideration and used to simulate their relative motion. Results show that when the angle β between the direction of external magnetic field and the centerline of two magnetic dipoles is 0 ° or 90 °, magnetic dipoles approach each other or move away from each other in a straight line, respectively. And the time required for them to contact each other from the initial position is related to the specific susceptibility and the diameter of magnetic particles, medium viscosity and magnetic field strength. When β is between 0 ° and 90 °, magnetic dipole pair performs approximate elliptical motion, and the motion trajectory is affected by the specific susceptibility, diameter and medium viscosity but not magnetic field strength. However, time required for magnetic dipoles to complete the same motion trajectory is shorter when adopting stronger magnetic field. Moreover, the subsequent motion trajectory of magnetic dipoles is ascertained once the initial position is set in a predetermined motion trajectory. Additionally, magnetic potential energy of magnetic dipole pairs is transformed into kinetic energy and friction energy during the motion.
Internal dipole radiation as a tool for particle identification.
You, Yu; Kattawar, George W; Li, Changhui; Yang, Ping
2006-12-20
A numerical approach for the calculation of the internal dipole radiation associated with particles of arbitrary morphology is investigated by using the discrete-dipole approximation (DDA) method. The DDA and analytical solutions for the total radiated power and radiation pattern are compared in the case of spherical host particles. It is shown that the DDA can be quite accurate under the condition that m lambda is the wavenumber in vacuum, and d is the distance between two adjacent dipoles in the DDA cubic dipole array. Furthermore, the DDA solutions for the dipole radiation patterns associated with nonspherical host particles are compared with their corresponding counterparts obtained from the finite-difference time-domain method. Excellent agreement between the two results is noted. The DDA method is also applied to the computation of the internal dipole radiation associated with simulated nonspherical sporelike particles. The results suggest that the internal dipole radiation patterns contain a great deal of information about the morphology and composition of the host particle.
Cancellation mechanism in the predictions of electric dipole moments
Bian, Ligong; Chen, Ning
2017-06-01
The interpretation of the baryon asymmetry of the Universe necessitates the C P violation beyond the Standard Model (SM). We present a general cancellation mechanism in the theoretical predictions of the electron electric dipole moments (EDM), quark chromo-EDMs, and Weinberg operators. A relative large C P violation in the Higgs sector is allowed by the current electron EDM constraint released by the ACME collaboration in 2013, and the recent 199Hg EDM experiment. The cancellation mechanism can be induced by the mass splitting of heavy Higgs bosons around ˜O (0.1 - 1 ) GeV , and the extent of the mass degeneracy determines the magnitude of the C P -violating phase. We explicate this point by investigating the C P -violating two-Higgs-doublet model and the minimal supersymmetric Standard Model. The cancellation mechanism is general when there are C P violation and mixing in the Higgs sector of new physics models. The C P -violating phases in this scenario can be excluded or detected by the projected 225Ra EDM experiments with precision reaching ˜10-28 e .cm , as well as the future colliders.
Design, construction, and field mapping of the HISTRAP prototype dipole
International Nuclear Information System (INIS)
Tatum, B.A.; Dowling, D.T.; Lord, R.S.; Mosko, S.W.; Olsen, D.K.
1989-01-01
HISTRAP is a proposed 2.67 T-m synchrotron-cooler-storage ring having eight 45/degree/, C-design dipole magnets. A prototype dipole has been designed, fabricated, and mapped. The magnet design utilizes curved and angled coil ends to compensate for end effects in the field. Construction of the prototype dipole has been completed by the FNAL magnet factory. The magnetic field has been mapped using a Hall-effect probe afixed to a newly constructed, PC-based, horizontal positioning system. Results of the field mapping are presented. 6 refs., 7 figs., 1 tabs
Analysis and design of short, iron-free dipole magnets
International Nuclear Information System (INIS)
Harvey, A.R.
1981-01-01
Iron-free, dipole magnets are used extensively as steering magnets to correct for the bending, induced by extraneous magnetic fields, of particle beams that are being transported in vacuum. Generally, the dipoles are long enough that the space occupied by the end conductors is small compared to the overall magnet length. In a recent application, however, this criteria did not apply. This has motivated a reanalysis of the characteristics of a system of small aspect ratio (length/diameter) dipoles that are spaced at relatively large axial distances
Ocular dominance affects magnitude of dipole moment: An MEG study
Shima, Hiroshi; Hasegawa, Mitsuhiro; Tachibana, Osamu; Nomura, Motohiro; Yamashita, Junkoh; Ozaki, Yuzo; Kawai, Jun; Higuchi, Masanori; Kado, Hisashi
2010-01-01
To investigate whether the ocular dominance affects laterality in the activity of the primary visual cortex, we examined the relationship between the ocular dominance and latency or dipole moment measured by checkerboard-pattern and magnetoencephalography in 11 right-handed healthy male participants. Participants with left-eye dominance showed a dipole moment of 21.5±6.1 nAm with left-eye stimulation and 16.1±3.6 nAm with right, whereas those with right-eye dominance showed a dipole moment of...
Initial results from 50mm short SSC dipoles at Fermilab
International Nuclear Information System (INIS)
Bossert, R.C.; Brandt, J.S.; Carson, J.A.; Coulter, K.; Delchamps, S.; Ewald, K.D.; Fulton, H.; Gonczy, I.; Gourlay, S.A.; Jaffery, T.S.; Kinney, W.; Koska, W.; Lamm, M.J.; Strait, J.B.; Wake, M.; Gordon, M.; Hassan, N.; Sims, R.; Winters, M.
1991-03-01
Several short model SSC 50 mm bore dipoles are being built and tested at Fermilab. Mechanical design of these magnets has been determined from experience involved in the construction and testing of 40 mm dipoles. Construction experience includes coil winding, curing and measuring, coil end part design and fabrication, ground insulation, instrumentation, collaring and yoke assembly. Fabrication techniques are explained and construction problems are discussed. Similarities and differences from the 40 mm dipole tooling and management components are outlined. Test results from the first models are presented. 19 refs., 12 figs
Electric Dipole Moments in the MSSM Reloaded
Ellis, Jonathan Richard; Pilaftsis, Apostolos
2008-01-01
We present a detailed study of the Thallium, neutron, Mercury and deuteron electric dipole moments (EDMs) in the CP-violating Minimal Supersymmetric extension of the Standard Model (MSSM). We take into account the complete set of one-loop graphs, the dominant Higgs-mediated two-loop diagrams, the complete CP-odd dimension-six Weinberg operator and the Higgs-mediated four-fermion operators. We improve upon earlier calculations by including the resummation effects due to CP-violating Higgs-boson mixing and to threshold corrections to the Yukawa couplings of all up- and down-type quarks and charged leptons. As an application of our study, we analyse the EDM constraints on the CPX, trimixing and Maximally CP- and Minimally Flavour-Violating (MCPMFV) scenarios. Cancellations may occur among the CP-violating contributions to the three measured EDMs arising from the 6 CP-violating phases in the MCPMFV scenario, leaving open the possibility of relatively large contributions to other CP-violating observables. The anal...
Dipole localization using simulated intracerebral EEG.
Chang, Nathalie; Gulrajani, Ramesh; Gotman, Jean
2005-11-01
In the clinical interpretation of intracerebral EEGs, epileptic foci are commonly identified by visually analyzing the amplitude of the potentials. This is potentially misleading since electrodes record activity from several sources, but the nearest ones generate large amplitudes that can overpower distant sources. Our objective was to improve foci detection in intracerebral recordings by applying source localization methods. Data were simulated by placing 3 sources in a semi-infinite medium near 3 intracerebral electrodes. Potentials were generated and contaminated with white and correlated noise. Two inverse problem algorithms, beamforming and RAP-MUSIC, were used to calculate equivalent dipoles. Simulations for each noise types showed that the two methods detected the source locations accurately, with RAP-MUSIC reporting lower orientation errors. With correlated noise, beamforming reconstructed original source waveforms poorly. A spatial resolution analysis was performed, in which beamforming adequately distinguished sources separated by 1.2 cm, whereas RAP-MUSIC separated sources as close as 0.4-0.6 cm. Both source localization methods proved useful in detecting the location of dipolar sources based on simulated intracerebral potentials. For all simulations, RAP-MUSIC was more accurate than beamforming. It is possible to use source localization methods traditionally applied to scalp recordings for improving source detection from intracerebral recordings.
Yamanaka, Nodoka; Yamada, Taiichi; Hiyama, Emiko; Funaki, Yasuro
2017-06-01
We calculate for the first time the electric dipole moment (EDM) of 13C generated by the isovector charge conjugation-parity (CP)-odd pion exchange nuclear force in the α -cluster model, which describes well the structures of low-lying states of the 13C nucleus. The linear dependence of the EDM of 13C on the neutron EDM and the isovector CP-odd nuclear coupling is found to be d13C=-0.33 dn-0.0020 G¯π(1 ) . The linear enhancement factor of the CP-odd nuclear coupling is smaller than that of the deuteron, due to the difference of the structure between the 1 /21- state and the opposite-parity (1 /2+ ) states. We clarify the role of the structure played in the enhancement of the EDM. This result provides good guiding principles to search for other nuclei with large enhancement factor. We also mention the role of the EDM of 13C in determining the new physics beyond the standard model.
Experimental constraint on quark electric dipole moments
Liu, Tianbo; Zhao, Zhiwen; Gao, Haiyan
2018-04-01
The electric dipole moments (EDMs) of nucleons are sensitive probes of additional C P violation sources beyond the standard model to account for the baryon number asymmetry of the universe. As a fundamental quantity of the nucleon structure, tensor charge is also a bridge that relates nucleon EDMs to quark EDMs. With a combination of nucleon EDM measurements and tensor charge extractions, we investigate the experimental constraint on quark EDMs, and its sensitivity to C P violation sources from new physics beyond the electroweak scale. We obtain the current limits on quark EDMs as 1.27 ×10-24 e .cm for the up quark and 1.17 ×10-24 e .cm for the down quark at the scale of 4 GeV2 . We also study the impact of future nucleon EDM and tensor charge measurements, and show that upcoming new experiments will improve the constraint on quark EDMs by about 3 orders of magnitude leading to a much more sensitive probe of new physics models.
Looking for permanent electric dipole moment
International Nuclear Information System (INIS)
Sakemi, Yasuhiro
2007-01-01
Exploration of the permanent electric dipole moment (EDM) is one of the important ways to promote the research of fundamental symmetries and interactions. In this paper the progress of the exploration up to the present is overviewed and then the present status and expectation in future of the experiment using cooled unstable atoms which is the hopeful method to measure electron EDM is presented. At first the physical meaning of the CPT symmetry breaking is introduced and the upper limit of EDM of electron, muon, tau, proton, neutron, Λ hyperon and 199 Hg are tabulated. It is explained how EDM appears in the theory beyond the standard model, the supersymmetry model e.g. The on-going experiments of EDM exploration of neutrons, nuclei, electrons, molecules and charged particles are briefly reviewed. Finally the experiment to use the Bose-Einstein condensation (BEC) to produce ultra low temperature of nK range by using the laser to cool down radioactive element is presented. Since the amplification of EDM is expected to be large in heavy unstable atoms, francium isotopes which are obtained by heavy ion fusion of 197 Au target bombarded with 18 O beam are chosen in this experiment. It has been confirmed that Rb can be kept in the instrument for 20 minutes up to the present. Progress toward trapping Fr is under way by optimizing numbers of experimental parameters. Experiments by the groups in foreign countries are overviewed briefly. (S. Funahashi)
Electric dipole moments of light nuclei
Mereghetti, Emanuele
2017-01-01
Electric dipole moments (EDMs) are extremely sensitive probes of physics beyond the Standard Model (SM). A vibrant experimental program is in place, with the goal to improve the existing neutron EDM bound by one/two orders of magnitude, and to test new ideas for the measurement of EDMs of light ions, such as deuteron and helium, at a comparable level. The success of this program, and its implications for physics beyond the SM, relies on the precise calculation of the EDMs in terms of the couplings of CP-violating operators. In light of the non-perturbative nature both of QCD at low energy and of the nuclear interactions, these calculations have proven difficult, and are affected by large theoretical uncertainties. In this talk I will review the progress that in recent years has been achieved on different aspects of the calculation of hadronic and nuclear EDMs. In particular, I will discuss how the interplay between lattice QCD and Chiral Effective Field Theory (EFT) has allowed to reduce a set of hadronic uncertainties. Finally, I will discuss how the measurements of th EDMs of one, two and three nucleon systems can be used to discriminate between various possible mechanisms of time-reversal violation at high energy.
Stability of high field superconducting dipole magnets
International Nuclear Information System (INIS)
Allinger, J.; Danby, G.; Foelsche, H.; Jackson, J.; Prodell, A.; Stevens, A.
1977-01-01
Superconducting dipole magnets of the window-frame type were constructed and operated successfully at Brookhaven National Laboratory. Examples of this type of magnet are the 6 T ''Model T'' magnet, and the 4 T 8 0 superconducting bending magnet. The latter magnet operated reliably since October 1973 as part of the proton beam transport to the north experimental area at the BNL AGS with intensities of typically 8 x 10 12 protons at 28.5 GeV/c passing through the magnet in a curved trajectory with the proton beam center only 2.0 cm from the beam pipe at both ends and the middle of each of the two units comprising the magnet. The energy in the beam is approximately 40 kJ per 3 μsec pulse. Targets were inserted in the beam at locations 2 m and 5.6 m upstream of the first magnet unit to observe the effects of radiation heating. The 8 0 magnet demonstrated ultrastability, surviving 3 μsec thermal pulses delivering up to 1 kJ into the cold magnet at repetition periods as short as 1.3 sec
International Nuclear Information System (INIS)
Tkach, M.V.
2002-01-01
The integral-functional representation of mass operator of spinless quasiparticles interacting with polarizational phonons at T = 0 K is obtained for the first time. This representation is equivalent to the infinite branched integral fraction. It does not depend on the binding force and effectively takes into account the many phonon processes
Gan, Lin; Camacho-Alanis, Fernanda; Ros, Alexandra
2015-12-15
DNA nanoassemblies, such as DNA origamis, hold promise in biosensing, drug delivery, nanoelectronic circuits, and biological computing, which require suitable methods for migration and precision positioning. Insulator-based dielectrophoresis (iDEP) has been demonstrated as a powerful migration and trapping tool for μm- and nm-sized colloids as well as DNA origamis. However, little is known about the polarizability of origami species, which is responsible for their dielectrophoretic migration. Here, we report the experimentally determined polarizabilities of the six-helix bundle origami (6HxB) and triangle origami by measuring the migration times through a potential landscape exhibiting dielectrophoretic barriers. The resulting migration times correlate to the depth of the dielectrophoretic potential barrier and the escape characteristics of the origami according to an adapted Kramer's rate model, allowing their polarizabilities to be determined. We found that the 6HxB polarizability is larger than that of the triangle origami, which correlates with the variations in charge density of both origamis. Further, we discuss the orientation of both origami species in the dielectrophoretic trap and discuss the influence of diffusion during the escape process. Our study provides detailed insight into the factors contributing to the migration through dielectrophoretic potential landscapes, which can be exploited for applications with DNA and other nanoassemblies based on dielectrophoresis.
Field Quality and Mechanical Analysis of the Beam Separation Dipole for HL-LHC Upgrade
AUTHOR|(CDS)2086334; Nakamoto, Tatsushi; Xu, Q; Kawamata, H; Todesco, Ezio
2015-01-01
High luminosity upgrade of the Large Hadron Collider (HL-LHC) project has been launched to attain a ten times higher integrated luminosity than the current LHC that has been in operation for over ten years. For this goal, the quadruple and dipole magnets around two interaction points, the ATLAS and the CMS, will be upgraded. High Energy Accelerator Research Organization (KEK) is in charge of developing the new superconducting beam separation dipole magnet (D1). The main dipole field of 5.6 T in a large aperture of 150 mm is generated using a cos-theta coil wound with Nb-Ti cables at nominal operating current of 12.0 kA at 1.9 K corresponding to 75% of the load line ratio. The main challenges for the D1 are larger aperture, a high level of iron saturation, radiation resistance, and tight constraints on field quality. This article summarizes the results of a detailed analysis on field error. Electromagnetic simulation with ROXIE was carried out for the 2-D model of the new D1. As possible design changes, a diam...
The dipole representation of vector meson electroproduction beyond leading twist
International Nuclear Information System (INIS)
Besse, A.; Szymanowski, L.; Wallon, S.
2013-01-01
We link the recent computation beyond leading twist of the impact factor of the transition γ T ⁎ →ρ T performed in the light-cone collinear approach, to the dipole picture by expressing the hard part of the process through its Fourier transform in coordinate space. We show that in the Wandzura–Wilczek approximation the impact factor up to twist 3 factorises in the wave function of the photon combined with the distribution amplitudes of the ρ-meson and the colour dipole scattering amplitude with the t-channel gluons. We show also that beyond the Wandzura–Wilczek approximation, the hard contribution of the amplitude still exhibits the signature of the interaction of a single colour dipole with the t-channel gluons. This result allows a phenomenological approach of the helicity amplitudes of the leptoproduction of vector meson, by combining our results to a dipole/target scattering amplitude model.
Initial tests of an AC dipole for the Tevatron
Energy Technology Data Exchange (ETDEWEB)
Miyamoto, R.; /Texas U.; Jansson, A.; /Fermilab; Kopp, S.; /Texas U.; Syphers, M.; /Fermilab
2006-06-01
The AC dipole is a device to diagnose transverse motions of a beam. It can achieve large-amplitude oscillations without two inevitable problems of conventional kicker/pinger magnets: decoherence and emittance growth. While not the first synchrotron to operate with an AC dipole, the Tevatron can now make use of its recently upgraded BPM system, providing unprecedented resolution for use with an AC dipole, to measure both linear and nonlinear properties of the accelerator. Plans are to provide AC dipole systems for both transverse degrees of freedom. Preliminary tests have been done using an audio power amplifier with an existing vertical pinger magnet, producing oscillation amplitudes up to 2{sigma} at 150 GeV. In this paper, we will present the configuration of this system. We also show the analysis of a first few data sets, including the direct measurement of beta functions at BPM locations.
Ocular dominance affects magnitude of dipole moment: an MEG study.
Shima, Hiroshi; Hasegawa, Mitsuhiro; Tachibana, Osamu; Nomura, Motohiro; Yamashita, Junkoh; Ozaki, Yuzo; Kawai, Jun; Higuchi, Masanori; Kado, Hisashi
2010-08-23
To investigate whether the ocular dominance affects laterality in the activity of the primary visual cortex, we examined the relationship between the ocular dominance and latency or dipole moment measured by checkerboard-pattern and magnetoencephalography in 11 right-handed healthy male participants. Participants with left-eye dominance showed a dipole moment of 21.5+/-6.1 nAm with left-eye stimulation and 16.1+/-3.6 nAm with right, whereas those with right-eye dominance showed a dipole moment of 18.0+/-5.2 and 21.5+/-2.7 nAm with left-eye and right-eye stimulation of the infero-medial quadrant visual field, respectively. Thus, the dipole moment was higher when the dominant eye was stimulated, which implies that ocular dominance is regulated by the ipsilateral occipital lobe.
Detection of Cavities Using Pole-Dipole Resistivity Technique
Elawadi, Eslam; El-Qady, Gad; Salem, Ahmed; Ushijima, Keisuke
2001-01-01
Using pole-dipole array, electrical resistivity survey was conducted to investigate the subsurface under a subsiding building located in Kita Kyushu area, Japan. The resistivity measurements were acquired along two traverse lines and interpreted using a g
Dipole localization in Moon rocks from sparse magnetic data
Chevillard , Sylvain; Leblond , Juliette; Mavreas , Konstantinos
2017-01-01
International audience; We consider dipole recovery issues from sparse magnetic data, with the use of best quadratic rational approximation techniques, together with geometrical and algebraic properties of the poles of the approximants.
On the functioning of folded dipole antennas on conducting masts
CSIR Research Space (South Africa)
Mcnamara, DA
1993-11-01
Full Text Available The radiation properties of individual folded dipole antennas mounted at various radial distances from the centre of conducting masts of different diameters are described in compact fashion....
Fourier-positivity constraints on QCD dipole models
Directory of Open Access Journals (Sweden)
Bertrand G. Giraud
2016-09-01
Full Text Available Fourier-positivity (F-positivity, i.e. the mathematical property that a function has a positive Fourier transform, can be used as a constraint on the parametrization of QCD dipole-target cross-sections or Wilson line correlators in transverse position space r. They are Bessel transforms of positive transverse momentum dependent gluon distributions. Using mathematical F-positivity constraints on the limit r→0 behavior of the dipole amplitudes, we identify the common origin of the violation of F-positivity for various, however phenomenologically convenient, dipole models. It is due to the behavior r2+ϵ, ϵ>0 softer, even slightly, than color transparency. F-positivity seems thus to conflict with the present dipole formalism when it includes a QCD running coupling constant α(r.
Proton structure functions in the dipole picture of BFKL dynamics
International Nuclear Information System (INIS)
Navelet, H.; Peschanski, R.; Wallon, S.; Royon, Ch.
1996-06-01
The proton structure functions are derived in the QCD dipole picture. Assuming k T and renormalization-group factorization, deep-inelastic proton scattering is related to deep-inelastic onium scattering. A three parameter fit of the 1994 H1 data in the low-x, moderate Q 2 range has been obtained. The dipole picture of BFKL dynamics is shown to provide a relevant model for quantitatively describing the proton structure functions at HERA. (author)
Effect of scalar nonlinearity on the dipole vortex solution
International Nuclear Information System (INIS)
Su, X; Horton, W.; Morrison, P.J.; Pavlenko, V.P.
1988-07-01
The dipole vortex solutions of the Hasegawa-Mima drift wave or equivalently, the quasi-geostrophic Rossby wave equation are shown to be split up into long-lived monopole vortices (cyclones and anticyclones) in the presence of a small scalar, i.e. KdV type, nonlinearity. The lifetime of the dipole vortex varies inversely with the strength of the scalar nonlinearity. 12 refs., 4 figs
Measurements of ground motion and SSC dipole vibrations
International Nuclear Information System (INIS)
Parkhomchuk, V.V.; Shiltsev, V.D.; Weaver, H.J.
1993-06-01
The results of seismic ground measurements at the Superconducting Super Collider (SSC) site and investigations of vibrational properties of superconducting dipoles for the SSC are presented. Spectral analysis of the data obtained in the large frequency band from 0.05 Hz to 2000 Hz is done. Resonant behavior and the dipole-to-ground transform ratio are investigated. The influence of measured vibrations on SSC operations is considered
A summary of SSC dipole magnet field quality measurements
Energy Technology Data Exchange (ETDEWEB)
Wanderer, P.; Anerella, M.; Cottingham, J.; Ganetis, G.; Garber, M.; Ghosh, A.; Greene, A.; Gupta, R.; Jain, A.; Kahn, S.; Kelly, E.; Morgan, G.; Muratore, J.; Prodell, A.; Rehak, M.; Rohrer, E.P.; Sampson, W.; Shutt, R.; Thomas, R.; Thompson, P.; Willen, E. [Brookhaven National Lab., Upton, NY (United States); Devred, A.; Bush, T.; Coombes, R.; DiMarco, J.; Goodzeit, C.; Kuzminski, J.; Nah, W.; Ogitsu, T.; Puglisi, M.; Radusewicz, P.; Sanger, P.; Schermer, R.; Tompkins, J.; Turner, J.; Yu, Y.; Zhao, Y.; Zheng, H. [Superconducting Super Collider Lab., Dallas, TX (United States); Bleadon, M.; Bossert, R.; Carson, J.; Delchamps, S.; Gourlay, S.; Hanft, R.; Koska, W.; Kuchnir, M.; Lamm, M.; Mantsch, P.; Mazur, P.O.; Orris, D.; Peterson, T.; Strait, J.; Wake, M. [Fermi National Accelerator Lab., Batavia, IL (United States); Royet, J.; Scanlan, R.; Taylor, C. [Lawrence Berkeley Lab., CA (United States)
1992-03-01
This paper reports results of field quality measurements of the initial 15 m-long, 50 mm-aperture SSC Collider dipoles tested at Brookhaven National Laboratory and Fermi National Laboratory. These data include multipole coefficients and the dipole angle at room temperature and 4.35 K, 4.35 K integral field measurements, and time-dependent effects. Systematic uncertainties are also discussed.
Magnetic dipole moments of the heavy tensor mesons in QCD
International Nuclear Information System (INIS)
Aliev, T.M.; Barakat, T.; Savci, M.
2015-01-01
The magnetic dipole moments of the D 2 , and D S 2 , B 2 , and B S 2 heavy tensor mesons are estimated in framework of the light cone QCD sum rules. It is observed that the magnetic dipole moments for the charged mesons are larger than that of its neutral counterpart. It is found that the SU(3) flavor symmetry violation is about 10 % in both b and c sectors. (orig.)
Lack of screening in the continuous dipole systems
International Nuclear Information System (INIS)
Park, Y.M.; Princeton Univ., NJ
1979-01-01
We study continuos statistical systems interacting via a regularized dipole potential in the grand canonical ensemble. In the explicity given region of high temperature (or low density) we show that the effective potential between two parallel dipoles is not absolutely integrable (it is, however, square integrable), which implies that the effective potential does not fall faster than /x/ -3 in some directions. (orig.) 891 HJ/orig. 892 MKO
Formation and temporal evolution of the Lamb-dipole
DEFF Research Database (Denmark)
Nielsen, A.H.; Juul Rasmussen, J.
1997-01-01
The formation and dynamics of dipolar vortex structures in two-dimensional flows are studied. Localized initial structures possessing a finite linear momentum are found to develop into dipoles by direct numerical solutions of the two-dimensional Navier-Stokes equations. The detailed structure......, is well described by an adiabatic theory. During the expansion the dipole is found to trap fluid as it evolves. (C) 1997 American Institute of Physics....
The BFKL pomeron calculus in the dipole approach
International Nuclear Information System (INIS)
Kozlov, M.; Levin, E.; Prygarin, A.
2007-01-01
In this paper we continue to pursue a goal of finding an effective theory for high energy interaction in QCD based on the colour dipole approach, for which the BFKL pomeron calculus gives a low energy limit. The key problem, that we try to solve in this paper is the probabilistic interpretation of the BFKL pomeron calculus in terms of the colourless dipoles and their interactions. We demonstrate that the BFKL pomeron calculus has two equivalent descriptions: (i) one is the generating functional which gives a clear probabilistic interpretation of the processes of high energy scattering and also provides a Hamiltonian-like description of the system of interacting dipoles; (ii) the second is the Langevin equation with a specific noise term which is rather complicated. We found that at high energies this Langevin equation can be reduced to the Langevin equation for directed percolation in the momentum space if the impact parameter is large, namely, b1/k, where k is the transverse momentum of a dipole. Unfortunately, this simplified form of Langevin equation is not applicable for summation of pomeron loops, where one integrates over all possible values of impact parameter. We show that the BFKL pomeron calculus with two vertices (splitting P->P+P and merging P+P->P of pomerons) can be interpreted as a system of colourless dipoles with two processes: the decay of one dipole into two and the merging of two dipoles into one dipole. However, a number of assumptions we have to make on the way to simplify the noise term in the Langevin equation and/or to apply the probabilistic interpretation, therefore, we can consider both of these approaches in the present form only as the QCD motivated models
Electric dipole moments of highly excited molecular vibrational states
Theulé, Patrice; Rizzo, Thomas
2005-01-01
In this work, new spectroscopic techniques have been developed to measure electric dipole moments of highly excited rovibrational states of small polyatomic molecules in the gas phase. These techniques make use of lasers arid of microwave synthesizers. They enable one to measure the change on a molecular system caused by applying an external electric field, which is called Stark effect and from this, extract the dipole moment. The first technique, called microwave Stark spectroscopy, makes us...
Technology transfer considerations for the collider dipole magnet
International Nuclear Information System (INIS)
Goodzeit, C.; Fischer, R.
1991-03-01
The R ampersand D program at the national laboratories has resulted in significant advances in design and fabrication methods for the Collider Dipole Magnets. The status of the transfer of the technology developed by the laboratories is reviewed. The continuation of the technology transfer program is discussed with a description of: (1) the relation of technology transfer activities to collider dipole product development; (2) content of the program relating to key magnet performance issues; and (3) methods to implement the program. 5 refs
New predictions for generalized spin polarizabilities from heavy baryon chiral perturbation theory
International Nuclear Information System (INIS)
Chung-Wen Kao; Barbara Pasquini; Marc Vanderhaeghen
2004-01-01
We extract the next-to-next-to-leading order results for spin-flip generalized polarizabilities (GPs) of the nucleon from the spin-dependent amplitudes for virtual Compton scattering (VCS) at Ο(p 4 ) in heavy baryon chiral perturbation theory. At this order, no unknown low energy constants enter the theory, allowing us to make absolute predictions for all spin-flip GPs. Furthermore, by using constraint equations between the GPs due to nucleon crossing combined with charge conjugation symmetry of the VCS amplitudes, we get a next-to-next-to-next-to-leading order prediction for one of the GPs. We provide estimates for forthcoming double polarization experiments which allow to access these spin-flip GPs of the nucleon
Geada, Isidro Lorenzo; Ramezani-Dakhel, Hadi; Jamil, Tariq; Sulpizi, Marialore; Heinz, Hendrik
2018-02-19
Metallic nanostructures have become popular for applications in therapeutics, catalysts, imaging, and gene delivery. Molecular dynamics simulations are gaining influence to predict nanostructure assembly and performance; however, instantaneous polarization effects due to induced charges in the free electron gas are not routinely included. Here we present a simple, compatible, and accurate polarizable potential for gold that consists of a Lennard-Jones potential and a harmonically coupled core-shell charge pair for every metal atom. The model reproduces the classical image potential of adsorbed ions as well as surface, bulk, and aqueous interfacial properties in excellent agreement with experiment. Induced charges affect the adsorption of ions onto gold surfaces in the gas phase at a strength similar to chemical bonds while ions and charged peptides in solution are influenced at a strength similar to intermolecular bonds. The proposed model can be applied to complex gold interfaces, electrode processes, and extended to other metals.
A Polarizable and Transferable PHAST CO 2 Potential for Materials Simulation
Mullen, Ashley L.
2013-12-10
Reliable PHAST (Potentials with High Accuracy Speed and Transferability) intermolecular potential energy functions for CO2 have been developed from first principles for use in heterogeneous systems, including one with explicit polarization. The intermolecular potentials have been expressed in a transferable form and parametrized from nearly exact electronic structure calculations. Models with and without explicit many-body polarization effects, known to be important in simulation of interfacial processes, are constructed. The models have been validated on pressure-density isotherms of bulk CO 2 and adsorption in three metal-organic framework (MOF) materials. The present models appear to offer advantages over high quality fluid/liquid state potentials in describing CO2 interactions in interfacial environments where sorbates adopt orientations not commonly explored in bulk fluids. Thus, the nonpolar CO2-PHAST and polarizable CO 2-PHAST* potentials are recommended for materials/interfacial simulations. © 2013 American Chemical Society.
DEFF Research Database (Denmark)
Eriksen, Janus Juul; Solanko, Lukasz Michal; Nåbo, Lina J.
2014-01-01
We present an implementation of the Polarizable Continuum Model (PCM) in combination with the Second–Order Polarization Propagator Approximation (SOPPA) electronic structure method. In analogy with the most common way of designing ground state calculations based on a Second–Order Møller-Plesset (MP......2) wave function coupled to PCM, we introduce dynamical PCM solvent effects only in the Random Phase Approximation (RPA) part of the SOPPA response equations while the static solvent contribution is kept in both the RPA terms as well as in the higher order correlation matrix components of the SOPPA...... response equations. By dynamic terms, we refer to contributions that describe a change in environmental polarization which, in turn, reflects a change in the core molecular charge distribution upon an electronic excitation. This new combination of methods is termed PCM-SOPPA/RPA. We apply this newly...
International Nuclear Information System (INIS)
Cregg, P.J.; Murphy, Kieran; Mardinoglu, Adil; Prina-Mello, Adriele
2010-01-01
The implant assisted magnetic targeted drug delivery system of Aviles, Ebner and Ritter is considered both experimentally (in vitro) and theoretically. The results of a 2D mathematical model are compared with 3D experimental results for a magnetizable wire stent. In this experiment a ferromagnetic, coiled wire stent is implanted to aid collection of particles which consist of single domain magnetic nanoparticles (radius ∼10nm). In order to model the agglomeration of particles known to occur in this system, the magnetic dipole-dipole and hydrodynamic interactions for multiple particles are included. Simulations based on this mathematical model were performed using open source C++ code. Different initial positions are considered and the system performance is assessed in terms of collection efficiency. The results of this model show closer agreement with the measured in vitro experimental results and with the literature. The implications in nanotechnology and nanomedicine are based on the prediction of the particle efficiency, in conjunction with the magnetizable stent, for targeted drug delivery.
Constraints on Exotic Dipole-Dipole Couplings between Electrons at the Micrometer Scale.
Kotler, Shlomi; Ozeri, Roee; Kimball, Derek F Jackson
2015-08-21
New constraints on exotic dipole-dipole interactions between electrons at the micrometer scale are established, based on a recent measurement of the magnetic interaction between two trapped 88Sr(+) ions. For light bosons (mass≤0.1 eV) we obtain a 90% confidence interval for an axial-vector-mediated interaction strength of |g(A)(e)g(A)(e)/4πℏc|≤1.2×10(-17). Assuming CPT invariance, this constraint is compared to that on anomalous electron-positron interactions, derived from positronium hyperfine spectroscopy. We find that the electron-electron constraint is 6 orders of magnitude more stringent than the electron-positron counterpart. Bounds on pseudoscalar-mediated interaction as well as on torsion gravity are also derived and compared with previous work performed at different length scales. Our constraints benefit from the high controllability of the experimental system which contained only two trapped particles. It therefore suggests a useful new platform for exotic particle searches, complementing other experimental efforts.
Polarizable water model for the coarse-grained MARTINI force field.
Directory of Open Access Journals (Sweden)
Semen O Yesylevskyy
2010-06-01
Full Text Available Coarse-grained (CG simulations have become an essential tool to study a large variety of biomolecular processes, exploring temporal and spatial scales inaccessible to traditional models of atomistic resolution. One of the major simplifications of CG models is the representation of the solvent, which is either implicit or modeled explicitly as a van der Waals particle. The effect of polarization, and thus a proper screening of interactions depending on the local environment, is absent. Given the important role of water as a ubiquitous solvent in biological systems, its treatment is crucial to the properties derived from simulation studies. Here, we parameterize a polarizable coarse-grained water model to be used in combination with the CG MARTINI force field. Using a three-bead model to represent four water molecules, we show that the orientational polarizability of real water can be effectively accounted for. This has the consequence that the dielectric screening of bulk water is reproduced. At the same time, we parameterized our new water model such that bulk water density and oil/water partitioning data remain at the same level of accuracy as for the standard MARTINI force field. We apply the new model to two cases for which current CG force fields are inadequate. First, we address the transport of ions across a lipid membrane. The computed potential of mean force shows that the ions now naturally feel the change in dielectric medium when moving from the high dielectric aqueous phase toward the low dielectric membrane interior. In the second application we consider the electroporation process of both an oil slab and a lipid bilayer. The electrostatic field drives the formation of water filled pores in both cases, following a similar mechanism as seen with atomistically detailed models.
Virtual Compton Scattering at MAMI and measurement of the proton generalized polarizabilities
International Nuclear Information System (INIS)
Roche, Julie
1998-01-01
We have measured the absolute unpolarized cross sections for photon electro-production of the proton with the Three-Spectrometer-Setup at MAMI at a momentum transfer q=600 MeV (or squared quadra-momentum of the virtual photon 0.33 GeV square) and a virtual photon polarization 0.62. The momentum for the outgoing real photon q' ranged from 33 to 111 MeV. We extracted two combinations of the generalized polarizabilities (GPs) of the proton. The reaction of interest is Virtual Compton Scattering off the proton. We can access to a measurement of the rigidity of the internal structure of the nucleon. Below pion production threshold but arbitrary squared quadra-momentum of the virtual photon, measured observables are the GPs. They generalize the concept of electric and magnetic polarizabilities already defined in Real Compton Scattering. Experimentally, the scattered electron was detected in coincidence with the recoiling proton in two high-resolution spectrometers. The photon emission process was selected by a cut on the missing mass squared distribution around zero. This PhD work describes the analysis work from raw data to absolute and precise cross sections (within a 3 pc statistical and 4 pc systematic accuracies). Our experiment at Mainz demonstrates that it is possible to measure two structure functions related to the GPs; extracted values are presented. These observables are compared with theoretical predictions and are very efficient to disentangle models of the non-perturbative structure of the nucleon. (author) [fr
Ion-dipole interactions in concentrated organic electrolytes.
Chagnes, Alexandre; Nicolis, Stamatios; Carré, Bernard; Willmann, Patrick; Lemordant, Daniel
2003-06-16
An algorithm is proposed for calculating the energy of ion-dipole interactions in concentrated organic electrolytes. The ion-dipole interactions increase with increasing salt concentration and must be taken into account when the activation energy for the conductivity is calculated. In this case, the contribution of ion-dipole interactions to the activation energy for this transport process is of the same order of magnitude as the contribution of ion-ion interactions. The ion-dipole interaction energy was calculated for a cell of eight ions, alternatingly anions and cations, placed on the vertices of an expanded cubic lattice whose parameter is related to the mean interionic distance (pseudolattice theory). The solvent dipoles were introduced randomly into the cell by assuming a randomness compacity of 0.58. The energy of the dipole assembly in the cell was minimized by using a Newton-Raphson numerical method. The dielectric field gradient around ions was taken into account by a distance parameter and a dielectric constant of epsilon = 3 at the surfaces of the ions. A fair agreement between experimental and calculated activation energy has been found for systems composed of gamma-butyrolactone (BL) as solvent and lithium perchlorate (LiClO4), lithium tetrafluoroborate (LiBF4), lithium hexafluorophosphate (LiPF6), lithium hexafluoroarsenate (LiAsF6), and lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) as salts.
Continuous millennial decrease of the Earth's magnetic axial dipole
Poletti, Wilbor; Biggin, Andrew J.; Trindade, Ricardo I. F.; Hartmann, Gelvam A.; Terra-Nova, Filipe
2018-01-01
Since the establishment of direct estimations of the Earth's magnetic field intensity in the first half of the nineteenth century, a continuous decay of the axial dipole component has been observed and variously speculated to be linked to an imminent reversal of the geomagnetic field. Furthermore, indirect estimations from anthropologically made materials and volcanic derivatives suggest that this decrease began significantly earlier than direct measurements have been available. Here, we carefully reassess the available archaeointensity dataset for the last two millennia, and show a good correspondence between direct (observatory/satellite) and indirect (archaeomagnetic) estimates of the axial dipole moment creating, in effect, a proxy to expand our analysis back in time. Our results suggest a continuous linear decay as the most parsimonious long-term description of the axial dipole variation for the last millennium. We thus suggest that a break in the symmetry of axial dipole moment advective sources occurred approximately 1100 years earlier than previously described. In addition, based on the observed dipole secular variation timescale, we speculate that the weakening of the axial dipole may end soon.
Jeyavijayan, S
2015-02-05
The FTIR and FT-Raman spectra of 2,4-difluoroacetophenone (DFAP) have been recorded in the regions 4000-400 cm(-1) and 3500-50 cm(-1), respectively. Utilizing the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. The optimum molecular geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities, were calculated by density functional theory (DFT/B3LYP) method with 6-31+G(d,p) and 6-311++G(d,p) basis sets. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. A detailed interpretation of the infrared and Raman spectra of DFAP is also reported based on total energy distribution (TED). Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The MEP map shows the negative potential sites are on oxygen atom as well as the positive potential sites are around the hydrogen atoms. The UV-Vis spectral analysis of DFAP has also been done which confirms the charge transfer of DFAP. The chemical shifts of H atoms and C atoms were calculated using NMR analysis. Furthermore, the polarizability, the first hyperpolarizability and total dipole moment of the molecule have been calculated. Copyright © 2014 Elsevier B.V. All rights reserved.
International Nuclear Information System (INIS)
Zhu Meng; Zhou Hui; Cheng Yinhui; Li Baozhong; Wu Wei; Li Jinxi; Ma Liang; Zhao Mo
2013-01-01
Electromagnetic pulse can be generated by the nuclear detonation in space via two radiation mechanisms. The electric dipole and magnetic dipole models were analyzed. The electric radiation in the far field generated by two models was calculated as well. Investigations show that in the case of one hundred TNT yield detonations, when electrons are emitted according to the Gaussian shape, two radiation models can give rise to the electric field in great distances with amplitudes of kV/m and tens of V/m, independently. Because the geomagnetic field in space is not strong and the electrons' angular motion is much weaker than the motion in the original direction, radiations from the magnetic dipole model are much weaker than those from the electric dipole model. (authors)
Long-range Order in One-dimensional Spinless Fermi Gas with Attractive Dipole-Dipole Interaction
Yan, Zhongbo; Chen, Liang; Wan, Shaolong
2013-01-01
One-dimensional spinless Fermi gas with attractive dipole-dipole interaction is investigated. Results obtained show when the interaction is weak, the excitation spectrum is linear and the superconducting correlation function decays as power law, indicating the validity of the Tomonaga-Luttinger (TL) liquid picture. However, when the interaction reaches a critical value, the excitation spectrum is nonlinear and the superconducting correlation function keeps finite for infinity separation, indi...
Transitions landau-zener de paires d'atomes de Rydberg froids en interaction dipole-dipole
Cournol, Anne
2011-01-01
This thesis deals with the study of dipole-dipole interaction between Rydberg atoms, in particular of Landau-Zener transitions around a Förster resonance for Rydberg atoms pairs. The adiabaticity of the transition depends of the interatomic distance and is controlled by a time-dependant electric field. The adiabatic transition efficiency is the control knob to probe the nearest neighbour distribution. We infer a new and original method to measure the density of a gas very accurately by probin...
Effect of dipole moments on orientation and alignment of a bounded molecule
Lumb, Sonia; Lumb, Shalini; Sen, K. D.; Prasad, Vinod
2017-06-01
A diatomic molecule modeled by Shifted Deng-Fan (SDF) oscillator potential and restricted to a small region of space has been considered. Energy spectra and radial matrix elements have been calculated using an accurate nine-point finite difference method. Orientation and alignment is generally studied by taking into account only the permanent dipole moment of the molecule. However, in this work, dependence of these properties on the actual set of matrix elements has been explored. A comparative study of the two has been presented. Effect of boundary radius and applied field strength has also been studied.
Quality Control of the LHC Main Dipole Cold Mass through Magnetic Measurements at Room Temperature
Todesco, Ezio
2003-01-01
The result of the magnetic measurements after the cold mass assembly is a holding point for the production of the LHC main dipoles. Here we describe how the magnetic measurements are screened to validate them and to work out faulty components or assembly procedures. The control limits are based on the experience acquired on the first 13 measured cold masses, and comparison to collared coil magnetic measurements. These limits are applied to 58 cold masses to carry out the quality control. The strategy used to set control limits and the main results of the quality control are discussed.
Steering field quality in the main dipole magnets of the Large Hadron Collider
Todesco, Ezio; Bottura, L; Devred, Arnaud; Remondino, Vittorio; Pauletta, S; Sanfilippo, S; Scandale, Walter; Völlinger, C; Wildner, E
2004-01-01
More than 10% of the collared coils of the main LHC dipoles have been produced. In this paper we compare the measured field quality to beam dynamics targets using correlations to measurements at 1.9 K. The present status of field quality is given and corrective actions carried out to center field quality on optimal values are presented. Differences among the three manufacturers are analysed, and the main results that concern correlation between cold and warm measurements are outlined. Present trends in the production and open points are discussed.
Separation of edge effects in highly non-dipole radiation spectra
Bondarenco, M. V.
2018-03-01
Edge effects in spectra of non-dipole radiation from ultra-relativistic electrons passing through various finite targets are analyzed from a unified point of view. Examples include radiation in a finite magnet, bremsstrahlung at double scattering, and bremsstrahlung in an amorphous plate. A generalization of the encountered spectral decomposition property is proposed. The relevance of phenomena of jet-inter-jet radiation interference and electron time delay in the target is emphasized. Features produced by them in the radiation spectra are discussed.
Interaction of counter-streaming plasma flows in dipole magnetic field
Shaikhislamov, I F; Posukh, V G; Melekhov, A V; Prokopov, P A; Boyarintsev, E L; Zakharov, Yu P; Ponomarenko, A G
2017-01-01
Transient interaction of counter-streaming super-sonic plasma flows in dipole magnetic dipole is studied in laboratory experiment. First quasi-stationary flow is produced by teta-pinch and forms a magnetosphere around the magnetic dipole while laser beams focused at the surface of the dipole cover launch second explosive plasma expanding from inner dipole region outward. Laser plasma is energetic enough to disrupt magnetic field and to sweep through the background plasma for large distances. ...
Polarization and dipole effects in hard X-ray photoelectron spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Novak, M. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium); Pauly, N., E-mail: nipauly@ulb.ac.be [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium); Dubus, A. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium)
2012-03-15
Highlights: Black-Right-Pointing-Pointer X-rays are unpolarized or linearly polarized. Black-Right-Pointing-Pointer A difference of polarization implies a variation in path travelled by the photoelectrons. Black-Right-Pointing-Pointer We show the influence of the polarization on the partial intensity distributions. Black-Right-Pointing-Pointer We also point out the influence of the dipole approximation. Black-Right-Pointing-Pointer We use Monte Carlo simulations. - Abstract: Hard X-ray photoelectron spectroscopy (HXPS) using X-rays in the 1.5-15 keV energy range generated by synchrotron sources becomes an increasingly important analysis technique due to its potential for bulk sensitive measurements. However, besides their high energy, another characteristic of photons generated by synchrotron sources is their linear polarization while X-rays from Al K{alpha} or Mg K{alpha} for instance are unpolarized. This difference implies a possible variation in total path travelled by the photoelectrons generated by the X-rays inside the medium and consequently a modification of the resulting spectrum shape. We show the influence of the polarization on the partial intensity distributions, namely the number of electrons escaping after n inelastic scattering events, for photoelectron with energies of 0.5, 1, 2, 3, 4 and 5 keV and originating from Si 1s{sub 1/2}, Cu 1s{sub 1/2}, Cu 2p{sub 3/2}, Au 4d{sub 3/2} and Au 4f{sub 7/2} subshells. Moreover, we point out the influence of the dipole approximation leading to an underestimation of the partial intensity distributions due to the neglect of the forward-backward asymmetry of the angular photoelectron distribution.
Maximilien Brice
2003-01-01
On 3 December the "tableau" on the 4th floor in building 30 indicated 1078 dipoles to completion - or in other words, 154 dipoles had by this day been delivered to CERN, enough to complete the first octant of the machine. CERN has also now received enough superconducting cable - the "heart" of the magnets - for 600 dipoles, nearly half the total number of 1232.
International Nuclear Information System (INIS)
Cole, D.C.
1985-01-01
The theory of stochastic electrodynamics involves the behavior of classical charged particles in the presence of classical electromagnetic zero-point radiation. Past researchers have shown that this theory has close connections with quantum phenomena. Here, this theory is further explored with regard to its predictions of the physical behavior of classical harmonic dipole oscillators relativistically uniformly accelerated through classical electromagnetic zero-point radiation. Part One treats a uniformly accelerated oscillator, unrestricted in its direction of oscillation. In Part Two, for the first time in either the classical or quantum literature, the thermal effects of acceleration are shown to hold for a particular spatially extended system. A set of relationships are derived in Part Three between the electromagnetic fields of an unaccelerated, fluctuating electric dipole oscillator and the correlation functions of homogeneous, isotopic random classical electromagnetic radiation
Linker, Gerrit-Jan; van Duijnen, Piet Th; van Loosdrecht, Paul H M; Broer, Ria
2012-07-05
The geometry of ethylenedioxy-tetrathiafulvalene, EDO-TTF, plays an important role in the metal-insulator transition in the charge transfer salt (EDO-TTF)(2)PF(6). The planar and off-planar geometrical conformations of the EDO-TTF molecules are explained using an extended Debye polarizability model for the bond angle. The geometrical structure of EDO-TTF is dictated by its four sulfur bond angles and these are, in turn, determined by the polarizability of the sulfur atoms. With Hartree-Fock and second-order Møller-Plesset perturbation theory calculations on EDO-TTF, TTF, H(2)S, and their oxygen and selenium substituted counterparts we confirm this hypothesis. The Debye polarizability model for bond angles relates directly the optimum bond angle with the polarizability of the center atom. Considering the (EDO-TTF)(2)PF(6) material in this light proves to be very fruitful.
The dipoles reach the half-way mark
2006-01-01
With the positioning of the 616th magnet, installation of the LHC dipoles has reached the half-way mark. Only half the dipoles remain to be installed! The 616th dipole out of a total of 1232 was installed at 3 a.m on Wednesday 12 July. Night and day, the tunnel is the setting for a never-ending series of carefully choreographed installation operations. At a rate of around twenty per week, there has been a steady underground flow of dipole magnets, each measuring 15 metres in length and weighing 34 tonnes. 'In order to recover the accumulated delays, installation is proceeding three times faster than planned', confides Claude Hauviller, who is supervising LHC installation. Four dipoles can be transported underground at the same time. It is a real challenge, which the 65-man team responsible for this difficult task faces on a daily basis. This is because there is very little space in the tunnel and there are no passing places for the magnet transport vehicles. The room for manoeuvre can sometimes be measured ...
Magnetic field measurements of model SSC [Superconducting Super Collider] dipoles
International Nuclear Information System (INIS)
Hassenzahl, W.V.; Gilbert, W.S.; Green, M.I.; Barale, P.J.
1986-10-01
To qualify for use in the Superconducting Super Collider, the 8000 or so 16 m long dipole magnets must pass a series of tests. One of these will be a set of warm measurements of field quality, which must be precise to about 0.001% of the 100 G field produced by 10 A, the maximum current the coils are allowed to carry for an extended period at room temperature. Field measurements of better than this accuracy have already been carried out on 1 m long model dipoles. These measurements have included determinations of the dipole fields and the higher harmonics in the central or two dimensional region and in the total magnet. In addition, axial scans of the dipole and higher harmonic magnetic fields have been made to determine the local variations, which might reflect fabrication and assembly tolerances. This paper describes the equipment developed for these measurements, the results of a representative set of measurements of the central and integral fields and axial scans, and a comparison between warm and cold measurements. Reproducibility, accuracy and precision will be described for some of the measurements. The significance of the warm measurements as a part of the certification process for the SSC dipoles will be discussed
Galopeau, P. H. M.
2017-12-01
Since the insertion of Cassini in the Saturnian system in July 2004, the radio and plasma wave science (RPWS) experiment on board the spacecraft revealed the presence of two distinct and variable rotation periods in the Saturnian kilometric radiation (SKR) which were attributed to the northern and southern hemispheres respectively. The present study is based on the hypothesis that the periodic time modulations present in the SKR are mainly due to the rotation of Saturn's inner magnetic field. The existence of a double period implies that the inner field is not only limited to a simple rotation dipole but displays more complex structures having the same time periodicities than the radio emission. In order to build a model of this complex magnetic field, it is absolutely necessary to know the accurate phases of rotation linked with the two periods. The radio observations from the RPWS experiment allow a continuous and accurate follow-up of these rotation phases, since the SKR emission is permanently observable and produced very close to the planetary surface. A continuous wavelet transform analysis of the intensity of the SKR signal received at 290 kHz between July 2004 and June 2012 was performed in order to calculate in the same time the different periodicities and phases. The rotation phases associated to the main two periods allow us to define a North and South longitude system essential for such a study. In this context, a dipole model ("birotor dipole") was proposed for Saturn's inner magnetic field: this dipole presents the particularity to have North and South poles rotating around Saturn's axis at two different angular velocities; this dipole is tilted and not centered. 57 Cassini's revolutions, the periapsis of which is less than 5 Saturnian radii, have been selected for this study. For each of these chosen orbits, it is possible to fit with high precision the measurements of the MAG data experiment given by the magnetometers embarked on board Cassini. A
Beam orbit control in TESLA superconducting cavities from dipole mode measurements
International Nuclear Information System (INIS)
Paparella, R.
2006-09-01
The knowledge of the electromagnetic interaction between a beam and the surrounding vacuum chamber is necessary in order to optimize the accelerator performance in terms of stored current. Many instability phenomena may occur in the machine because of the fields produced by the beam and acting back on itself. Basically, these fields, wake-fields, produce an extra voltage, affecting the longitudinal dynamics, and a transverse kick which deflects the beam. In this thesis we present the results of theoretical and experimental investigations to demonstrate the possibility of using the dipolar wake fields of the superconducting accelerating to measure the beam transverse position. After an introduction to the ILC project and to the TESLA technology, of superconducting RF cavities, we will approach the problem from an analytical point of view in chapter 2. The expression of the wake fields in a cylindrical cavity will be investigated and the electromagnetic field modes derived from Maxwell equations in an original way. Graphical solutions of a Matlab program simulating the fields due to a particle passing through a pill-box cavity along a generic path will be shown. The interaction of the beam with higher order modes (HOM) in the TESLA cavities has been studied in the past at the TESLA Test Facility (TTF) in order to determine whether the modes with the highest loss factor are sufficiently damped. Starting from the results obtained before 2003, HOM signals has been better observed and examined in order to use dipole modes to find the electric center of each cavity in the first TTF accelerating module. The results presented in chapter 3 will show that by monitoring the HOM signal amplitude for two polarizations of a dipole mode, one can measure electrical center of the modes with a resolution of 50 μm. Moreover, a misalignment of the first TTF module with respect to the gun axis has been predicted using cavity dipole modes. Alternatives to this method are described in
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DEFF Research Database (Denmark)
Arslanagic, Samel; Meincke, Peter; Jørgensen, Erik
2003-01-01
We derive a line integral representation of the physical optics scattered far field that yields the exact same result as the conventional surface radiation integral. This representation applies to a perfectly electrically conducting plane scatterer illuminated by electric or magnetic Hertzian...... dipoles. The source and observation points can take on almost arbitrary positions. To illustrate the exactness and efficiency of the new line integral, numerical comparisons with the conventional surface radiation integral are carried out....
Gong, Wenbin; Zhang, Wei; Wang, Chengbin; Yao, Yagang; Lu, Weibang
2017-11-01
The interlayer sliding behaviors of hexagonal boron nitride (h -BN) were investigated via a density functional theory approach with dispersion interaction included. It was found that the self-consistent screening effect (SCS) and the polarizability contractions had significant influences on London dispersion forces, which are responsible for not only the stacking modes but also for the sliding behaviors of h -BN. In consideration of the ionic characteristics of h -BN, surprisingly, the calculated dispersion force was found to dominate the electrostatic interaction along a minimum-energy sliding pathway and make a pronounced contribution (˜35 %) to the barrier during the constrained sliding. This study demonstrates that the SCS and polarizability contractions play important roles in the sliding behaviors of h -BN and that the long-range dispersion interaction should be carefully treated, even in systems with ionic characteristics.
Ayma, D; Lichanot, A
1998-01-01
Compton profiles, polarizabilities and related functions of diamond and cubic boron nitride have been investigated within the Hartree-Fock approximation and the density functional theory, calculated within the local density approximation and generalized gradient approximation, but without any explicit correlation correction for the Compton profiles. The correlation part already included in the standard uncorrected density functional theory is deduced from the comparison of the two types of calculation. The Compton profile and reciprocal-form-factor anisotropies, polarizability, dielectric constant and energy loss function of the two compounds are compared at the same level of accuracy. These properties are very close in spite of the rather different chemical bonds due to the charge transfer occurring in cubic boron nitride and gaps. (author)
International Nuclear Information System (INIS)
Dorenbos, P.; Andriessen, J.; Eijk, C.W.E. van
2003-01-01
Data collected on the centroid shift of the 5d-configuration of Ce 3+ in oxide and fluoride compounds were recently analyzed with a model involving the correlated motion between 5d-electron and ligand electrons. The correlation effects are proportional to the polarizability of the anion ligands and it leads, like covalency, to lowering of the 5d-orbital energies. By means of ab initio Hartree-Fock-LCAO calculations including configuration interaction the contribution from covalency and correlated motion to the centroid shift are determined separately for Ce 3+ in various compounds. It will be shown that in fluoride compounds, covalency provides an insignificant contribution. In oxides, polarizability appears to be of comparable importance as covalency
2016-07-18
energy can lead to the formation of polarizations at the surface region. Polarizability of this particular type of NPs, as a function of the size...Soumekh, M. Synthetic Aperture Radar Signal Processing with MATLAB Algorithms ; John Wiley & Sons: New York, 1999. (16) Kong, J. A. Electromagnetic Wave...FeOx NP core, was effectively released at the light-off stage to induce the intramolecular polarization of C60-DPAF adducts. Resulting charged
Deeply virtual compton scattering in color dipole formalism
Energy Technology Data Exchange (ETDEWEB)
Machado, Magno V.T. [Universidade Federal do Pampa (UNIPAMPA), Bage, RS (Brazil)
2007-06-15
In this contribution we summarize recent investigations on the Deeply Virtual Compton Scattering (DVCS) within the color dipole approach. The color dipole cross section is implemented through the phenomenological saturation model. The role played by its QCD evolution and skewedness effects in the DVCS cross section are discussed. The results are compared with the recent H1 and ZEUS Collaborations data. The skewing factor, defined as the ratio of the imaginary parts of the amplitudes Im A({gamma}* p {yields} {gamma}* p)/ Im A({gamma}* p {yields} {gamma} p) can be extracted from the data using recent DVCS and the inclusive inelastic cross section measurements at DESY-HERA. We report on this experimental extraction and compare the results to the theoretical predictions for NLO QCD and the color dipole approach. (author)
Status of the LHC Short Dipole Model Programme
Tommasini, D; Sanfilippo, S; Siemko, A; Vanenkov, I; Wyss, C
2000-01-01
The 1-m model program for the main LHC dipoles is now mainly focussed on double-aperture magnets. In the past years an intensive program based on single-aperture dipoles allowed to select the series-design features among several variants for the coil cross section, the material of the collars and of the coil end spacers, the coil pre-stress and the cable insulation. The recent double-aperture models are dedicated to the fine-tuning of the baseline design and the manufacture of the coil ends. This paper reports about the fabrication and testing of these magnets and the results relevant for the series production of the 15-m long full-size dipole cold masses.
Overview and Status of the Levitated Dipole Experiment
Garnier, D. T.; Hansen, A. K.; Mauel, M. E.; Ortiz, E.; Sunn-Pedersen, T.; Dagen, S.; Ellsworth, J.; Karim, I.; Kesner, J.; Minervini, J.; Michael, P.; Zhukovsky, A.
2002-11-01
The Levitated Dipole Experiment (LDX) is the first experiment designed to study high-β plasmas confined by a magnetic dipole with near classical energy confinement. The primary goal of the initial phase of LDX operation is the study of plasma behavior near marginal stability for interchange modes at high-β. Other areas of investigation include dipole confinement characteristics, the formation of convective cells within the closed field line geometry and the possibility of non-local transport. LDX consists of three superconducting magnets and highlights the role of innovative magnetic technology that makes possible explorations of entirely new confinement concepts. We describe the LDX machine design and detail the fabrication status of the superconducting floating-coil, charging-coil, and levitation-coil as LDX nears plasma operations. An overview of the project goals, overall program plan, and current status of the experiment will also be presented.
State of the Short Dipole Model Program for the LHC
Andreyev, N I; Kurtyka, T; Oberli, L R; Perini, D; Russenschuck, Stephan; Siegel, N; Siemko, A; Tommasini, D; Vanenkov, I; Walckiers, L
1998-01-01
Superconducting single and twin aperture 1-m long dipole magnets are currently being fabricated at CERN at a rate of about one per month in the framework of the short dipole model program for the LHC. The program allows to study performance improvements coming from refinements in design, components and assembly options and to accumulate statistics based on a small-scale production. The experience thus gained provides in turn feedback into the long magnet program in industry. In recent models initial quenching fields above 9 T have been obtained and after a short training the conductor limit at 2 K is reached, resulting in a central bore field exceeding 10 T. The paper describes the features of recent single aperture models, the results obtained during cold tests and the plans to ensure the continuation of a vigorous model program providing input for the fabrication of the main LHC dipoles.
The pygmy dipole resonance in neutron-rich nuclei
International Nuclear Information System (INIS)
Hung, Nguyen Quang; Kiet, Hoang Anh Tuan; Duc, Huynh Ngoc; Chuong, Nguyen Thi
2016-01-01
The pygmy dipole resonance (PDR), which has been observed via the enhancement of the electric dipole strength E 1 of atomic nuclei, is studied within a microscopic collective model. The latter employs the Hartree-Fock (HF) method with effective nucleon-nucleon interactions of the Skyrme types plus the random-phase approximation (RPA). The results of the calculations obtained for various even-even nuclei such as 16-28 O, 40-58 Ca, 100-120 Sn, and 182-218 Pb show that the PDR is significantly enhanced when the number of neutrons outside the stable core of the nucleus is increased, that is, in the neutron-rich nuclei. As the result, the relative ratio between the energy weighted sum of the strength of the PDR and that of the GDR (giant dipole resonance) does not exceed 4%. The collectivity of the PDR and GDR states will be also discussed. (paper)
On the Purcell effect beyond the dipole approximation
DEFF Research Database (Denmark)
Kristensen, Philip Trøst; Mortensen, Jakob Egeberg; Lodahl, Peter
2012-01-01
We investigate spontaneous emission from excitons in quantum dots beyond the dipole approximation and show how the symmetry of the exciton wavefunction plays a crucial role. We show explicitly that for spherically symmetric excitons, the Purcell effect is independent of the exciton size and is go......We investigate spontaneous emission from excitons in quantum dots beyond the dipole approximation and show how the symmetry of the exciton wavefunction plays a crucial role. We show explicitly that for spherically symmetric excitons, the Purcell effect is independent of the exciton size...... and is governed by the local density of optical states at the center of the exciton only, which is identical to the result derived with the dipole approximation. This surprising result is a spontaneous emission counterpart to the shell theorem of classical mechanics and electrostatics and provides new insights...
Investigations of dipole localization accuracy in MEG using the bootstrap.
Darvas, F; Rautiainen, M; Pantazis, D; Baillet, S; Benali, H; Mosher, J C; Garnero, L; Leahy, R M
2005-04-01
We describe the use of the nonparametric bootstrap to investigate the accuracy of current dipole localization from magnetoencephalography (MEG) studies of event-related neural activity. The bootstrap is well suited to the analysis of event-related MEG data since the experiments are repeated tens or even hundreds of times and averaged to achieve acceptable signal-to-noise ratios (SNRs). The set of repetitions or epochs can be viewed as a set of independent realizations of the brain's response to the experiment. Bootstrap resamples can be generated by sampling with replacement from these epochs and averaging. In this study, we applied the bootstrap resampling technique to MEG data from somatotopic experimental and simulated data. Four fingers of the right and left hand of a healthy subject were electrically stimulated, and about 400 trials per stimulation were recorded and averaged in order to measure the somatotopic mapping of the fingers in the S1 area of the brain. Based on single-trial recordings for each finger we performed 5000 bootstrap resamples. We reconstructed dipoles from these resampled averages using the Recursively Applied and Projected (RAP)-MUSIC source localization algorithm. We also performed a simulation for two dipolar sources with overlapping time courses embedded in realistic background brain activity generated using the prestimulus segments of the somatotopic data. To find correspondences between multiple sources in each bootstrap, sample dipoles with similar time series and forward fields were assumed to represent the same source. These dipoles were then clustered by a Gaussian Mixture Model (GMM) clustering algorithm using their combined normalized time series and topographies as feature vectors. The mean and standard deviation of the dipole position and the dipole time series in each cluster were computed to provide estimates of the accuracy of the reconstructed source locations and time series.
Spontaneous Interfacial Dipole Orientation Effect of Acetic Acid Solubilized PFN.
Wang, Cong; Luo, Yinqi; Zheng, Jieming; Liu, Linlin; Xie, Zengqi; Huang, Fei; Yang, Bing; Ma, Yuguang
2018-03-28
Poly[(9,9-dioctyl-2,7-fluorene)- alt-(9,9-bis(3'-( N, N-dimethylamino)propyl)-2,7-fluorene)] (PFN) is a very important interfacial modifier in organic photovoltaic and organic light-emitting diodes to improve device performance, where their molecular dipole has been regarded to play a key role. In this work, we have reported a spontaneous interfacial dipole orientation effect in acetic acid dissolved PFN, which is strongly related to the interfacial dipole and the corresponding device performance. In direct spin-coating, the interfacial dipole is 1.08 Debye with interfacial contact angle 84.8°, whereas after self-assembly of 10 min, the interfacial dipole is balanced at 4.21 Debye, with the interfacial contact angle decreasing to 76.8°. Without strong interaction with the substrate, the energy of upward amine groups is much lower than that of downward ones in theoretical simulation, which would be the driving force of this spontaneous process. The preferred conformations of PFN molecules on hydroxylated substrates have over 99% amine groups outward, and the theoretical average dipole calculated from the weight of these conformations is 4.48 Debye, which is close to the experimental result and indicates a high ratio of upward amine groups in self-assembled films. This effect obviously changes the device performance, such as an obvious positive threshold voltage shift in transistors and a distinct increase of the short-circuit current/open-circuit voltage in organic solar cells. This effect provides a deeper understanding of the PFN interlayer mechanism and has potential application in optoelectronic devices.
Nuclear DVCS at small x using color-dipole phenomenology
Energy Technology Data Exchange (ETDEWEB)
Machado, Magno V.T. [Universidade Federal do Pampa Campus de Bage, Centro de Ciencias Exatas e Tecnologicas, Bage, RS (Brazil)
2009-02-15
Using the high-energy color-dipole formalism, we study the coherent and incoherent nuclear DVCS process, {gamma}{sup *}A{yields}{gamma}X, in the small-x regime. We consider simple models for the elementary dipole-hadron scattering amplitude that capture the main features of the dependence on atomic number A, on energy and on momentum transfer t. Using the amplitudes obtained we make predictions for the nuclear DVCS cross section at the photon level in collider kinematics. (orig.)
SSC [Superconducting Super Collider] dipole coil production tooling
International Nuclear Information System (INIS)
Carson, J.A.; Barczak, E.J.; Bossert, R.C.; Brandt, J.S.; Smith, G.A.
1989-03-01
Superconducting Super Collider dipole coils must be produced to high precision to ensure uniform prestress and even conductor distribution within the collared coil assembly. Tooling is being prepared at Fermilab for the production of high precision 1M and 16.6M SSC dipole coils suitable for mass production. The design and construction methods builds on the Tevatron tooling and production experience. Details of the design and construction methods and measured coil uniformity of 1M coils will be presented. 4 refs., 10 figs
Dynamical dipole mode in heavy-ion fusion reactions
Energy Technology Data Exchange (ETDEWEB)
Parascandolo, C., E-mail: concetta.parascandolo@na.infn.i [Universita degli Studi di Napoli ' Federico II' and INFN, Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Pierroutsakou, D. [INFN - Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Martin, B. [Universita degli Studi di Napoli ' Federico II' and INFN, Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Agodi, C.; Alba, R. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy); Boiano, A. [INFN - Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Coniglione, R. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy); De Filippo, E. [INFN - Sezione di Catania, 95123, Catania (Italy); Del Zoppo, A. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy); Emanuele, U. [INFN, Gruppo Collegato di Messina and Dip. di Fisica, Universita di Messina, Messina (Italy); Farinon, F. [GSI, Planckstrasse 1, D-64291, Darmstadt (Germany); Guglielmetti, A. [Universita degli Studi di Milano and INFN, Sezione di Milano, via Celoria 16, I-20133 Milano (Italy); Inglima, G.; La Commara, M. [Universita degli Studi di Napoli ' Federico II' and INFN, Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Maiolino, C. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy); Mazzocchi, C. [Universita degli Studi di Milano and INFN, Sezione di Milano, via Celoria 16, I-20133 Milano (Italy); Mazzocco, M. [Dip. di Fisica and INFN, Universita di Padova, via F. Marzolo 8, I-35131 Padova (Italy); Romoli, M. [INFN - Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Sandoli, M. [Universita degli Studi di Napoli ' Federico II' and INFN, Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Santonocito, D. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy)
2010-03-01
The dynamical dipole mode, excited in charge asymmetric heavy-ion collisions, was investigated in the mass region of the {sup 192}Pb compound nucleus, formed by using the {sup 40,48}Ca + {sup 152,144}Sm reactions at approx11 MeV/nucleon. Preliminary results of this measurement, concerning both fusion-evaporation and fission events are presented. As a fast cooling mechanism on the fusion path, the dynamical dipole mode could be useful for the synthesis of super heavy elements through 'hot' fusion reactions.
Double dipole antenna SIS receivers at 100 and 400 GHz
Skalare, A.; Vandestadt, H.; Degraauw, T.; Panhuyzen, R. A.; Dierichs, M. M. T. M.
1992-01-01
Antenna patterns were measured between 95 and 120 GHz for a double dipole antenna / ellipsoidal lens combination. The structure produces a non-astigmatic beam with low side lobe levels over that whole band. A heterodyne SIS receiver based on this concept gave a best noise temperature of 145 K DSB at 98 GHz. Measurements were also made with a 400 GHz heterodyne SIS receiver, using a double dipole antenna in conjunction with a hyperhemispherical lens. The best noise temperature was 220 K DSB at 402 GHz. On-chip stubs were used to tune out the SIS junction capacitance.
SSC (Superconducting Super Collider) dipole coil production tooling
Energy Technology Data Exchange (ETDEWEB)
Carson, J.A.; Barczak, E.J.; Bossert, R.C.; Brandt, J.S.; Smith, G.A.
1989-03-01
Superconducting Super Collider dipole coils must be produced to high precision to ensure uniform prestress and even conductor distribution within the collared coil assembly. Tooling is being prepared at Fermilab for the production of high precision 1M and 16.6M SSC dipole coils suitable for mass production. The design and construction methods builds on the Tevatron tooling and production experience. Details of the design and construction methods and measured coil uniformity of 1M coils will be presented. 4 refs., 10 figs.