Possibility of observation of polaron normal modes at the far-infrared spectrum of acetanilide and related organics

Science.gov (United States)

Kalosakas, G.; Aubry, S.; Tsironis, G. P.

1998-10-01

We use a stationary and normal mode analysis of the semiclassical Holstein model in order to connect the low-frequency linear polaron modes to low-lying far-infrared lines of the acetanilide spectrum and through parameter fitting we comment on the validity of the polaron results in this system.

Large polarons in lead halide perovskites

Science.gov (United States)

Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan; Joshi, Prakriti P.; Mosconi, Edoardo; Jones, Skyler C.; De Angelis, Filippo; Zhu, X.-Y.

2017-01-01

Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3− frameworks, irrespective of the cation type. The difference lies in the polaron formation time, which, in CH3NH3PbBr3 (0.3 ps), is less than half of that in CsPbBr3 (0.7 ps). First-principles calculations confirm large polaron formation, identify the Pb-Br-Pb deformation modes as responsible, and explain quantitatively the rate difference between CH3NH3PbBr3 and CsPbBr3. The findings reveal the general advantage of the soft [PbX3]− sublattice in charge carrier protection and suggest that there is likely no mechanistic limitations in using all-inorganic or mixed-cation lead halide perovskites to overcome instability problems and to tune the balance between charge carrier protection and mobility. PMID:28819647

Neutron diffuse scattering in magnetite due to molecular polarons

International Nuclear Information System (INIS)

Yamada, Y.; Wakabayashi, N.; Nicklow, R.M.

1980-01-01

A detailed neutron diffuse scattering study has been carried out in order to verify a model which describes the property of valence fluctuations in magnetite above T/sub V/. This model assumes the existence of a complex which is composed of two excess electrons and a local displacement mode of oxygens within the fcc primitive cell. The complex is called a molecular polaron. It is assumed that at sufficiently high temperatures there is a random distribution of molecular polarons, which are fluctuating independently by making hopping motions through the crystal or by dissociating into smaller polarons. The lifetime of each molecular polaron is assumed to be long enough to induce an instantaneous strain field around it. Based on this model, the neutron diffuse scattering cross section due to randomly distributed dressed molecular polarons has been calculated. A precise measurement of the quasielastic scattering of neutrons has been carried out at 150 K. The observed results definitely show the characteristics which are predicted by the model calculation and, thus, give evidence for the existence of the proposed molecular polarons. From this standpoint, the Verwey transition of magnetite may be viewed as the cooperative ordering process of dressed molecular polarons. Possible extensions of the model to describe the ordering and the dynamical behavior of the molecular polarons are discussed

Non-relativistic Limit of a Dirac Polaron in Relativistic Quantum Electrodynamics

CERN Document Server

Arai, A

2006-01-01

A quantum system of a Dirac particle interacting with the quantum radiation field is considered in the case where no external potentials exist. Then the total momentum of the system is conserved and the total Hamiltonian is unitarily equivalent to the direct integral $\\int_{{\\bf R}^3}^\\oplus\\overline{H({\\bf p})}d{\\bf p}$ of a family of self-adjoint operators $\\overline{H({\\bf p})}$ acting in the Hilbert space $\\oplus^4{\\cal F}_{\\rm rad}$, where ${\\cal F}_{\\rm rad}$ is the Hilbert space of the quantum radiation field. The fibre operator $\\overline{H({\\bf p})}$ is called the Hamiltonian of the Dirac polaron with total momentum ${\\bf p} \\in {\\bf R}^3$. The main result of this paper is concerned with the non-relativistic (scaling) limit of $\\overline{H({\\bf p})}$. It is proven that the non-relativistic limit of $\\overline{H({\\bf p})}$ yields a self-adjoint extension of a Hamiltonian of a polaron with spin $1/2$ in non-relativistic quantum electrodynamics.

Chiral plaquette polaron theory of cuprate superconductivity

Science.gov (United States)

Tahir-Kheli, Jamil; Goddard, William A., III

2007-07-01

Ab initio density functional calculations on explicitly doped La2-xSrxCuO4 find that doping creates localized holes in out-of-plane orbitals. A model for cuprate superconductivity is developed based on the assumption that doping leads to the formation of holes on a four-site Cu plaquette composed of the out-of-plane A1 orbitals apical Opz , planar Cud3z2-r2 , and planar Opσ . This is in contrast to the assumption of hole doping into planar Cudx2-y2 and Opσ orbitals as in the t-J model. Allowing these holes to interact with the d9 spin background leads to chiral polarons with either a clockwise or anticlockwise charge current. When the polaron plaquettes percolate through the crystal at x≈0.05 for La2-xSrxCuO4 , a Cudx2-y2 and planar Opσ band is formed. The computed percolation doping of x≈0.05 equals the observed transition to the “metallic” and superconducting phase for La2-xSrxCuO4 . Spin exchange Coulomb repulsion with chiral polarons leads to d -wave superconducting pairing. The equivalent of the Debye energy in phonon superconductivity is the maximum energy separation between a chiral polaron and its time-reversed partner. This energy separation is on the order of the antiferromagnetic spin coupling energy, Jdd˜0.1eV , suggesting a higher critical temperature. An additive skew-scattering contribution to the Hall effect is induced by chiral polarons and leads to a temperature dependent Hall effect that fits the measured values for La2-xSrxCuO4 . The integrated imaginary susceptibility, observed by neutron spin scattering, satisfies ω/T scaling due to chirality and spin-flip scattering of polarons along with a uniform distribution of polaron energy splittings. The derived functional form is compatible with experiments. The static spin structure factor for chiral spin coupling of the polarons to the undoped antiferromagnetic Cud9 spins is computed for classical spins on large two-dimensional lattices and is found to be incommensurate with a

Method of T-products in polaron theory

International Nuclear Information System (INIS)

Bogolubov, N.N. Jr.; Kurbatov, A.M.; Kireev, A.N.

1985-11-01

T-products method is used for the investigation of equilibrium thermodynamic properties of Frohlich's model in polaron theory. Polaron free energy at finite temperatures is calculated on the basis of Bogolubov's variational principle. A trial function is chosen in the most general form corresponding to arbitrary number of oscillators harmonically interacting with electron. The upper bound to the polaron ground state energy in limiting case of weak interaction and low temperatures is obtained and investigated in detail. It is shown that the result becomes more exact by increasing the number of oscillators. (author)

Polaron as the extended particle model

International Nuclear Information System (INIS)

Kochetov, E.A.; Kuleshov, S.P.; Smondyrev, M.A.

1977-01-01

The polaron (a moving electron with concomitant lattice distortion) mass and energy are calculated. The problem of finding the Green function in the polaron model is solved. A number of the simplest approximations corresponding to the approximation in the picture of straight-line paths is considered. The case of strong coupling requires more detailed study of the particle motion in the effective field, caused by the significant polarization of vacuum near the particle. As a consequence, a more complex approximation of functional integrals is required. A variation method is used in this case. The bound state of a polaron interacting not only with photons, but also with some external classical field is investigated as well. A classical potential is considered as an example

Bi-Polaron Condensation in High Tc Superconductors

International Nuclear Information System (INIS)

Ranninger, J.

1995-01-01

On the basis of optical measurements-, photoemission-, EXAFS- and neutron scattering-experiments we conclude that itinerant valence electrons coexist with localized bi-polarons.Entering the metallic phase upon chemical doping, a charge transfer between the two electronic subsystems is triggered off. We show that as the temperature is lowered towards Tc this process leads to a delocalization of bi-polarons due to a precursor effect of superfluidity of those bi-polarons. Upon entering the superconducting phase, these bipolarons ultimately condense into a superfluid state which is expected to largely determine the superconducting properties of high Tc materials. (authors)

Effect of interchain coupling on the excited polaron in conjugated polymers

International Nuclear Information System (INIS)

Li, Xiao-xue; Chen, Gang

2017-01-01

Based on the one-dimensional extended Su–Schrieffer–Heeger model, we theoretically investigate the effect of interchain coupling on the formation and polarization of the single-excited state of polaron in conjugated polymers. It is found that there exists a turnover value of the coupling strength, over which the excited polaron could not be formed in either of the two coupled chains. Instead, a polaron-like particle is localized at the center of each chain. In addition, we also find that the reverse polarization of the excited polaron could be enhanced for some cases in polymer when the interchain coupling becomes strong until it exceeds the critical value. - Highlights: • Effect of interchain coupling on the single-excited state of polaron is studied. • When coupling strength exceeds critical value, the excited polaron is dissociated. • Soliton pair could be dissociated into polaron-like particle with strong coupling. • Reverse polarization of excited polaron is enhanced by weak interchain coupling. • Reverse polarization is obtained more easily in solid film of polymer molecules.

Effect of interchain coupling on the excited polaron in conjugated polymers

Energy Technology Data Exchange (ETDEWEB)

Li, Xiao-xue, E-mail: sps_lixx@ujn.edu.cn; Chen, Gang, E-mail: ss_cheng@ujn.edu.cn

2017-02-05

Based on the one-dimensional extended Su–Schrieffer–Heeger model, we theoretically investigate the effect of interchain coupling on the formation and polarization of the single-excited state of polaron in conjugated polymers. It is found that there exists a turnover value of the coupling strength, over which the excited polaron could not be formed in either of the two coupled chains. Instead, a polaron-like particle is localized at the center of each chain. In addition, we also find that the reverse polarization of the excited polaron could be enhanced for some cases in polymer when the interchain coupling becomes strong until it exceeds the critical value. - Highlights: • Effect of interchain coupling on the single-excited state of polaron is studied. • When coupling strength exceeds critical value, the excited polaron is dissociated. • Soliton pair could be dissociated into polaron-like particle with strong coupling. • Reverse polarization of excited polaron is enhanced by weak interchain coupling. • Reverse polarization is obtained more easily in solid film of polymer molecules.

Polarons and Mobile Impurities Near a Quantum Phase Transition

Science.gov (United States)

Shadkhoo, Shahriar

derives the effective Euclidean action from the classical equation of motion. We calculate the effective mass of the polaron in the model polar liquid at zero and finite temperatures. The self-trapping transition of this polaron turns out to be discontinuous in certain regions of the phase diagram. In order to systematically investigate the role of quantum fluctuations on the polaron properties, we adopt a quantum field theory which supports nearly-critical local modes: the quantum Landau-Brazovskii (QLB) model, which exhibits fluctuation-induced first order transition (weak crystallization). In the vicinity of the phase transition, the quantum fluctuations are strongly correlated; one can in principle tune the strength of these fluctuations, by adjusting the parameters close to or away from the transition point. Furthermore, sufficiently close to the transition, the theory accommodates "soliton'' solutions, signaling the nonlinear response of the system. Therefore, the model seems to be a promising candidate for studying the effects of strong quantum fluctuations and also failure of linear response theory, in the polaron problem. We observe that at zero temperature, and away from the Brazovskii transition where the linear response approximation is valid, the localization transition of the polaron is discontinuous. Upon enhancing fluctuations---of either thermal or quantum nature---the gap of the effective mass closes at distinct second-order critical points. Sufficiently close to the Brazovskii transition where the nonlinear contributions of the field are significantly large, a new state appears in addition to extended and self-trapped polarons: an impurity-induced soliton. We interpret this as the break-down of linear response, reminiscent of what we observe in a polar liquid. Quantum LB model has been proposed to be realizable in ultracold Bose gases in cavities. We thus discuss the experimental feasibility, and propose a setup which is believed to exhibit the

Polarons in acetanilide

Science.gov (United States)

Scott, Alwyn C.; Bigio, Irving J.; Johnston, Clifford T.

1989-06-01

The best available data are presented of the integrated intensity of the 1650-cm-1 band in crystalline acetanilide as a function of temperature. A concise theory of polaron states is presented and used to interpret the data.

One dimensional polaron effects and current inhomogeneities in sequential phonon emission

Energy Technology Data Exchange (ETDEWEB)

Hellman, E.S.; Harris, J.S.; Hanna, C.; Laughlin, R.B.

1985-07-01

We have constructed a physical model to explain the tunneling current oscillations reported by Hickmott et al., for GaAs/AlGaAs heterostructures in high magnetic fields. We propose that the periodic structure observed is due to space charge which builds up in the undepleted layer when electrons enter it with energy just below the phonon emission threshold. Such electrons interact with the lattice to form polarons whose energy is pinned to the phonon energy, and thus has a very small group velocity. The polaron effect is strongly enhanced by the confinement of the electrons by the strong magnetic field. We infer from the current-voltage data that most of the tunneling current flows through a small area of the sample. The combined model gives reasonable quantitative agreement with experiment. 6 refs., 6 figs.

One dimensional polaron effects and current inhomogeneities in sequential phonon emission

International Nuclear Information System (INIS)

Hellman, E.S.; Harris, J.S.; Hanna, C.; Laughlin, R.B.

1985-07-01

We have constructed a physical model to explain the tunneling current oscillations reported by Hickmott et al., for GaAs/AlGaAs heterostructures in high magnetic fields. We propose that the periodic structure observed is due to space charge which builds up in the undepleted layer when electrons enter it with energy just below the phonon emission threshold. Such electrons interact with the lattice to form polarons whose energy is pinned to the phonon energy, and thus has a very small group velocity. The polaron effect is strongly enhanced by the confinement of the electrons by the strong magnetic field. We infer from the current-voltage data that most of the tunneling current flows through a small area of the sample. The combined model gives reasonable quantitative agreement with experiment. 6 refs., 6 figs

O{sup -} bound small polarons in oxide materials

Energy Technology Data Exchange (ETDEWEB)

Schirmer, O F [Department of Physics, University of Osnabrueck, D-49076 Osnabrueck (Germany)

2006-11-01

Holes bound to acceptor defects in oxide crystals are often localized by lattice distortion at just one of the equivalent oxygen ligands of the defect. Such holes thus form small polarons in symmetric clusters of a few oxygen ions. An overview on mainly the optical manifestations of those clusters is given. The article is essentially divided into two parts: the first one covers the basic features of the phenomena and their explanations, exemplified by several paradigmatic defects; in the second part numerous oxide materials are presented which exhibit bound small polaron optical properties. The first part starts with summaries on the production of bound hole polarons and the identification of their structure. It is demonstrated why they show strong, wide absorption bands, usually visible, based on polaron stabilization energies of typically 1 eV. The basic absorption process is detailed with a fictitious two-well system. Clusters with four, six and twelve equivalent ions are realized in various oxide compounds. In these cases several degenerate optically excited polaron states occur, leading to characteristic final state resonance splittings. The peak energies of the absorption bands as well as the sign of the transfer energy depend on the topology of the clusters. A special section is devoted to the distinction between interpolaron and intrapolaron optical transitions. The latter are usually comparatively weak. The oxide compounds exhibiting bound hole small polaron absorptions include the alkaline earth oxides (e.g. MgO), BeO and ZnO, the perovskites BaTiO{sub 3} and KTaO{sub 3}, quartz, the sillenites (e.g. Bi{sub 12}TiO{sub 20}), Al{sub 2}O{sub 3}, LiNbO{sub 3}, topaz and various other materials. There are indications that the magnetic crystals NiO, doped with Li, and LaMnO{sub 3}, doped with Sr, also show optical features caused by bound hole polarons. Beyond being elementary paradigms for the properties of small polarons in general, the defect species treated

Small-polaron formation and motion in magnetic semiconductors

International Nuclear Information System (INIS)

Emin, D.

1979-01-01

The fundamental physical processes associated with small-polaron formation are described with various magnetic semi-conductors being cited as examples. Attention is then directed toward the mechanisms of charge transfer and small-polaron hopping motion in magnetic semiconductors

Weak coupling polaron and Landau-Zener scenario: Qubits modeling

Science.gov (United States)

Jipdi, M. N.; Tchoffo, M.; Fokou, I. F.; Fai, L. C.; Ateuafack, M. E.

2017-06-01

The paper presents a weak coupling polaron in a spherical dot with magnetic impurities and investigates conditions for which the system mimics a qubit. Particularly, the work focuses on the Landau-Zener (LZ) scenario undergone by the polaron and derives transition coefficients (transition probabilities) as well as selection rules for polaron's transitions. It is proven that, the magnetic impurities drive the polaron to a two-state superposition leading to a qubit structure. We also showed that the symmetry deficiency induced by the magnetic impurities (strong magnetic field) yields to the banishment of transition coefficients with non-stacking states. However, the transition coefficients revived for large confinement frequency (or weak magnetic field) with the orbital quantum numbers escorting transitions. The polaron is then shown to map a qubit independently of the number of relevant states with the transition coefficients lifted as LZ probabilities and given as a function of the electron-phonon coupling constant (Fröhlich constant).

Screening effect on the polaron by surface plasmons

Science.gov (United States)

Xu, Xiaoying; Xu, Xiaoshan; Seal, Katyayani; Guo, Hangwen; Shen, Jian; Low Dimensional Materials Physics, Oak Ridge National Lab Team; University of Tennessee Team; Physics Department, Fudan University Team

2011-03-01

Surface plasmons occur when the conduction electrons at a metal/dielectric interface resonantly interact with external electromagnetic fields. While surface plasmons in vicinity of a polaron in the dielectric material, a strong screening effect on polaron characteristics is introduced. In this work, we observed the reduction of polarons in multiferroic LuFe2O4, which is mainly contributed by surface plasmons. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

Observation of Spin-Polarons in a strongly interacting Fermi liquid

Science.gov (United States)

Zwierlein, Martin

2009-03-01

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

Importance of polaron effects for charge carrier mobility above and ...

Indian Academy of Sciences (India)

It is shown that the scattering of polaronic charge carriers and bosonic Cooper pairs at acoustic and optical phonons are responsible for the charge carrier mobility above and below the PG temperature. We show that the energy scales of the binding energies of large polarons and polaronic Cooper pairs can be identified by ...

Bound magnetic polaron in a semimagnetic double quantum well

Science.gov (United States)

Kalpana, P.; Jayakumar, K.

2017-09-01

The effect of different combinations of the concentration of Mn2+ ion in the Quantum well Cd1-xinMnxin Te and the barrier Cd1-xoutMnxout Te on the Bound Magnetic Polaron (BMP) in a Diluted Magnetic Semiconductors (DMS) Double Quantum Well (DQW) has been investigated. The Schrodinger equation is solved variationally in the effective mass approximation through which the Spin Polaronic Shift (SPS) due to the formation of BMP has been estimated for various locations of the donor impurity in the DQW. The results show that the effect of the increase of Mn2+ ion composition with different combinations on SPS is predominant for On Centre Well (OCW) impurity when compared to all other impurity locations when there is no application of magnetic field (γ = 0), γ being a dimensionless parameter for the magnetic field, and the same is predominant for On Centre Barrier (OCB) impurity with the application of external magnetic field (γ = 0.15).

Small polaron hopping in magnetic semiconductors

International Nuclear Information System (INIS)

Emin, D.; Liu, N.L.H.

1978-01-01

In a number of magnetic insulators it has been hypothesized that the charge carriers form small polarons. The transfer of an electron between magnetic sites and how the magnetic nature of the material affects the rate which characterizes small-polaron hops between magnetic sites were studied. The basic transfer processes are addressed from a many-electron point in which the itinerant electron is treated as indistinguishable from those which contribute unpaired spins at the magnetic sites

Small-polaron model of light atom diffusion

International Nuclear Information System (INIS)

Emin, D.

1977-01-01

A number of researchers have treated the diffusion of light interstitials in metals in strict analogy with the theory for the hopping diffusion of electrons in low-mobility insulators. In other words, these authors view the diffusion of light atoms as simply being an example of small-polaron hopping motion. In this paper the motion of a small polaron is introduced, and the mechanism of its motion is described. The experimental results are then succinctly presented. Next the physical assumptions implicit in the theory are compared with the situation which is believed to characterize the existence and motion of light interstitial atoms in metals. Concomitantly, the modifications of the small-polaron theory required in applying it to light atom diffusion are ennumerated

Big magnetoresistance: magnetic polarons

International Nuclear Information System (INIS)

Teresa, J.M. de; Ibarra, M.R.

1997-01-01

By using several macro and microscopic experimental techniques we have given evidence for magnetoresistance in manganese oxides caused by the effect of the magnetic field on the magnetic polarons. (Author) 3 refs

Properties of a Bound Polaron under a Perpendicular Magnetic Field

International Nuclear Information System (INIS)

Liu Jia; Chen Ziyu; Xiao Jinglin; Huo Shufen

2007-01-01

We investigate the influence of a perpendicular magnetic field on a bound polaron near the interface of a polar-polar semiconductor with Rashba effect. The external magnetic field strongly changes the ground state binding energy of the polaron and the Rashba spin-orbit (SO) interaction originating from the inversion asymmetry in the heterostructure splits the ground state binding energy of the bound polaron. In this paper, we have shown how the ground state binding energy will be with the change of the external magnetic field, the location of a single impurity, the wave vector of the electron and the electron areal density, taking into account the SO coupling. Due to the presence of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the bound polaron are more stable, and we find that in the condition of week magnetic field, the Zeeaman effect can be neglected.

The Bogolubov Representation of the Polaron Model and Its Completely Integrable RPA-Approximation

International Nuclear Information System (INIS)

Bogolubov, Nikolai N. Jr.; Prykarpatsky, Yarema A.; Ghazaryan, Anna A.

2009-12-01

The polaron model in ionic crystal is studied in the N. Bogolubov representation using a special RPA-approximation. A new exactly solvable approximated polaron model is derived and described in detail. Its free energy at finite temperature is calculated analytically. The polaron free energy in the constant magnetic field at finite temperature is also discussed. Based on the structure of the N. Bogolubov unitary transformed polaron Hamiltonian a very important new result is stated: the full polaron model is exactly solvable. (author)

Polaron binding energy in polymers: poly[methyl(phenyl)silylene

Czech Academy of Sciences Publication Activity Database

Nožár, Juraj; Nešpůrek, Stanislav; Šebera, Jakub

2012-01-01

Roč. 18, č. 2 (2012), s. 623-629 ISSN 1610-2940 R&D Projects: GA AV ČR KAN400720701 Institutional research plan: CEZ:AV0Z40500505 Keywords : polaron * polaron binding energy * polysilane Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.984, year: 2012

Importance of polaron effects for charge carrier mobility above and ...

Indian Academy of Sciences (India)

Orifjon Ganiev

2017-05-30

May 30, 2017 ... sizes and effective masses are large polarons. According ... nating metallic and insulating domains with mobile ... The mobile polaronic carriers are con- ..... [51] T Kondo, Y Hamaya, A D Palczewski, T Takeuchi, J S Wen,.

Photoelectron spectroscopy on the charge reorganization energy and small polaron binding energy of molecular film

Energy Technology Data Exchange (ETDEWEB)

Kera, Satoshi, E-mail: kera@ims.ac.jp [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan); Ueno, Nobuo [Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan)

2015-10-01

Understanding of electron-phonon coupling as well as intermolecular interaction is required to discuss the mobility of charge carrier in functional molecular solids. This article summarizes recent progress in direct measurements of valence hole-vibration coupling in ultrathin films of organic semiconductors by using ultraviolet photoelectron spectroscopy (UPS). The experimental study of hole-vibration coupling of the highest occupied molecular orbital (HOMO) state in ordered monolayer film by UPS is essential to comprehend hole-hopping transport and small-polaron related transport in organic semiconductors. Only careful measurements can attain the high-resolution spectra and provide key parameters in hole-transport dynamics, namely the charge reorganization energy and small polaron binding energy. Analyses methods of the UPS HOMO fine feature and resulting charge reorganization energy and small polaron binding energy are described for pentacene and perfluoropentacene films. Difference between thin-film and gas-phase results is discussed by using newly measured high-quality gas-phase spectra of pentacene. Methodology for achieving high-resolution UPS measurements for molecular films is also described.

Polaron-mediated surface reconstruction in the reduced Rutile TiO2 (110) surface

Science.gov (United States)

Reticcioli, Michele; Setvin, Martin; Hao, Xianfeng; Diebold, Ulrike; Franchini, Cesare

The role of polarons is of key importance for the understanding of the fundamental properties and functionalities of TiO2. We use density functional theory with an on-site Coulomb interaction and molecular dynamics to study the formation and dynamics of small polarons in the reduced rutile (110) surface. We show that excess electrons donated by oxygen-vacancies (VO) form mobile small polarons that hop easily in subsurface and surface Ti-sites. The polaron formation becomes more favorable by increasing the VO concentration level (up to 20%) due to the progressively lower energy cost needed to distort the lattice. However, at higher VO concentration the shortening of the averaged polaron-polaron distance leads to an increased Coulomb repulsion among the trapped charges at the Ti-sites, which weakens this trend. This instability is overtaken by means of a structural 1 × 2 surface reconstruction, characterized by a distinctively more favorable polaron distribution. The calculations are validated by a direct comparison with experimental AFM and STM data. Our study identifies a fundamentally novel mechanism to drive surface reconstructions and resolves a long standing issue on the origin of the reconstruction in rutile (110) surface.

Trapping, self-trapping and the polaron family

International Nuclear Information System (INIS)

Stoneham, A M; Gavartin, J; Shluger, A L; Kimmel, A V; Ramo, D Munoz; Roennow, H M; Aeppli, G; Renner, C

2007-01-01

The earliest ideas of the polaron recognized that the coupling of an electron to ionic vibrations would affect its apparent mass and could effectively immobilize the carrier (self-trapping). We discuss how these basic ideas have been generalized to recognize new materials and new phenomena. First, there is an interplay between self-trapping and trapping associated with defects or with fluctuations in an amorphous solid. In high dielectric constant oxides, like HfO 2 , this leads to oxygen vacancies having as many as five charge states. In colossal magnetoresistance manganites, this interplay makes possible the scanning tunnelling microscopy (STM) observation of polarons. Second, excitons can self-trap and, by doing so, localize energy in ways that can modify the material properties. Third, new materials introduce new features, with polaron-related ideas emerging for uranium dioxide, gate dielectric oxides, Jahn-Teller systems, semiconducting polymers and biological systems. The phonon modes that initiate self-trapping can be quite different from the longitudinal optic modes usually assumed to dominate. Fourth, there are new phenomena, like possible magnetism in simple oxides, or with the evolution of short-lived polarons, like muons or excitons. The central idea remains that of a particle whose properties are modified by polarizing or deforming its host solid, sometimes profoundly. However, some of the simpler standard assumptions can give a limited, indeed misleading, description of real systems, with qualitative inconsistencies. We discuss representative cases for which theory and experiment can be compared in detail

Polaron in the dilute critical Bose condensate

Science.gov (United States)

Pastukhov, Volodymyr

2018-05-01

The properties of an impurity immersed in a dilute D-dimensional Bose gas at temperatures close to its second-order phase transition point are considered. Particularly by means of the 1/N-expansion, we calculate the leading-order polaron energy and the damping rate in the limit of vanishing boson–boson interaction. It is shown that the perturbative effective mass and the quasiparticle residue diverge logarithmically in the long-length limit, signalling the non-analytic behavior of the impurity spectrum and pole-free structure of the polaron Green’s function in the infrared region, respectively.

Evidence for polaron conduction in nanostructured manganese ferrite

International Nuclear Information System (INIS)

Gopalan, E Veena; Anantharaman, M R; Malini, K A; Saravanan, S; Kumar, D Sakthi; Yoshida, Yasuhiko

2008-01-01

Nanoparticles of manganese ferrite were prepared by the chemical co-precipitation technique. The dielectric parameters, namely, real and imaginary dielectric permittivity (ε' and ε-prime), ac conductivity (σ ac ) and dielectric loss tangent (tanδ), were measured in the frequency range of 100 kHz-8 MHz at different temperatures. The variations of dielectric dispersion (ε') and dielectric absorption (ε-prime) with frequency and temperature were also investigated. The variation of dielectric permittivity with frequency and temperature followed the Maxwell-Wagner model based on interfacial polarization in consonance with Koops phenomenological theory. The dielectric loss tangent and hence ε-prime exhibited a relaxation at certain frequencies and at relatively higher temperatures. The dispersion of dielectric permittivity and broadening of the dielectric absorption suggest the possibility of a distribution of relaxation time and the existence of multiple equilibrium states in manganese ferrite. The activation energy estimated from the dielectric relaxation is found to be high and is characteristic of polaron conduction in the nanosized manganese ferrite. The ac conductivity followed a power law dependence σ ac = Bω n typical of charge transport assisted by a hopping or tunnelling process. The observed minimum in the temperature dependence of the frequency exponent n strongly suggests that tunnelling of the large polarons is the dominant transport process

Excitonic and Polaronic Properties of 2D Hybrid Organic–Inorganic Perovskites

KAUST Repository

Yin, Jun

2017-01-20

We theoretically characterize the unusual white-light emission properties of two-dimensional (2D) hybrid organic inorganic perovskites with an APbX(4) structure (where A is a bidentate organic cation and X = Cl, Br). In addition to band structure calculations including corrections due to spin orbit couplings and electron hole interactions, a computationally intensive molecular cluster approach is exploited to describe the excitonic and polaronic properties of these 2D perovskites at the atomistic level. Upon adding or removing an electron from the neutral systems, we find that strongly localized small polarons form in the 2D clusters. The polaron charge density is distributed over just lattice sites, which is consistent with the calculated large polaron binding energies, on the order of similar to 0.4-1.2 eV.

Vibronic effects and destruction of exciton coherence in optical spectra of J-aggregates: A variational polaron transformation approach

Energy Technology Data Exchange (ETDEWEB)

Bloemsma, E.A.; Silvis, M.H.; Stradomska, A.; Knoester, J., E-mail: j.knoester@rug.nl

2016-12-20

Using a symmetry adapted polaron transformation of the Holstein Hamiltonian, we study the interplay of electronic excitation-vibration couplings, resonance excitation transfer interactions, and temperature in the linear absorption spectra of molecular J-aggregates. Semi-analytical expressions for the spectra are derived and compared with results obtained from direct numerical diagonalization of the Hamiltonian in the two-particle basis set representation. At zero temperature, we show that our polaron transformation reproduces both the collective (exciton) and single-molecule (vibrational) optical response associated with the appropriate standard perturbation limits. Specifically, for the molecular dimer excellent agreement with the spectra from the two-particle approach for the entire range of model parameters is obtained. This is in marked contrast to commonly used polaron transformations. Upon increasing the temperature, the spectra show a transition from the collective to the individual molecular features, which results from the thermal destruction of the exciton coherence.

Density functional theory + U modeling of polarons in organohalide lead perovskites

Directory of Open Access Journals (Sweden)

Eric Welch

2016-12-01

Full Text Available We investigate the possible formation of polarons in four organic perovskites (CH3NH3PbI3, CH3NH3PbBr3, CH3NH3PbCl3, and CH3NH3PbI2Cl1 using a density functional theory (DFT calculations with local potentials and hybrid functionals. We show that DFT+U method with U = 8 eV predicts a correct band-gap and matches the forces on ions from hybrid calculations. We then use the DFT + U approach to study the effect of polarons, i.e. to search the configuration space and locate the lowest energy localized band gap state self-trapped hole (STH. STH configurations were found for three pure halides and one mixed halide system. Spin orbit coupling (SOC was also taken into account and the results may be found in the supplementary material. This study focuses on the +U method; however, SOC corrections added to the DFT+U calculations also resulted in STH states in all four systems.

First-principles supercell calculations of small polarons with proper account for long-range polarization effects

Science.gov (United States)

Kokott, Sebastian; Levchenko, Sergey V.; Rinke, Patrick; Scheffler, Matthias

2018-03-01

We present a density functional theory (DFT) based supercell approach for modeling small polarons with proper account for the long-range elastic response of the material. Our analysis of the supercell dependence of the polaron properties (e.g., atomic structure, binding energy, and the polaron level) reveals long-range electrostatic effects and the electron–phonon (el–ph) interaction as the two main contributors. We develop a correction scheme for DFT polaron calculations that significantly reduces the dependence of polaron properties on the DFT exchange-correlation functional and the size of the supercell in the limit of strong el–ph coupling. Using our correction approach, we present accurate all-electron full-potential DFT results for small polarons in rocksalt MgO and rutile TiO2.

Strong-coupling Bose polarons out of equilibrium: Dynamical renormalization-group approach

Science.gov (United States)

Grusdt, Fabian; Seetharam, Kushal; Shchadilova, Yulia; Demler, Eugene

2018-03-01

When a mobile impurity interacts with a surrounding bath of bosons, it forms a polaron. Numerous methods have been developed to calculate how the energy and the effective mass of the polaron are renormalized by the medium for equilibrium situations. Here, we address the much less studied nonequilibrium regime and investigate how polarons form dynamically in time. To this end, we develop a time-dependent renormalization-group approach which allows calculations of all dynamical properties of the system and takes into account the effects of quantum fluctuations in the polaron cloud. We apply this method to calculate trajectories of polarons following a sudden quench of the impurity-boson interaction strength, revealing how the polaronic cloud around the impurity forms in time. Such trajectories provide additional information about the polaron's properties which are challenging to extract directly from the spectral function measured experimentally using ultracold atoms. At strong couplings, our calculations predict the appearance of trajectories where the impurity wavers back at intermediate times as a result of quantum fluctuations. Our method is applicable to a broader class of nonequilibrium problems. As a check, we also apply it to calculate the spectral function and find good agreement with experimental results. At very strong couplings, we predict that quantum fluctuations lead to the appearance of a dark continuum with strongly suppressed spectral weight at low energies. While our calculations start from an effective Fröhlich Hamiltonian describing impurities in a three-dimensional Bose-Einstein condensate, we also calculate the effects of additional terms in the Hamiltonian beyond the Fröhlich paradigm. We demonstrate that the main effect of these additional terms on the attractive side of a Feshbach resonance is to renormalize the coupling strength of the effective Fröhlich model.

The polaron problem and the Boltzmann equation

International Nuclear Information System (INIS)

Devreese, J.

1979-01-01

A mobility theory for the Feynman polaron is developed. It is shown that the Boltzmann equation for polarons is valid for weak coupling and not too high electric fields. The analytical results indicate that for E → 0 the relaxation time approximation is valid. A comparison is made of three methods to calculate the mobility in a linear electron transport theory. An approximation to the Kubo formula, a mobility calculation using path integrals by Feynman and a calculation based on the displaced Maxwell distribution function are considered. The three methods lead to equivalent results in the weak scattering and small electric field limit

Al-bound hole polarons in TiO2

International Nuclear Information System (INIS)

Stashans, Arvids; Bermeo, Sthefano

2009-01-01

Changes in the structural and electronic properties of TiO 2 (anatase and rutile) due to the Al-doping are studied using a quantum-chemical approach based on the Hartree-Fock theory. The formation of hole polarons trapped at oxygen sites near the Al impurity has been discovered and their spatial configuration are discussed. The occurrence of well-localized one-center hole polarons in rutile may influence its photocatalytic activity. Optical absorption energy for this hole center is obtained, 0.4 eV, using the ΔSCF approach.

A self-consistent theory of the magnetic polaron

International Nuclear Information System (INIS)

Marvakov, D.I.; Kuzemsky, A.L.; Vlahov, J.P.

1984-10-01

A finite temperature self-consistent theory of magnetic polaron in the s-f model of ferromagnetic semiconductors is developed. The calculations are based on the novel approach of the thermodynamic two-time Green function methods. This approach consists in the introduction of the ''irreducible'' Green functions (IGF) and derivation of the exact Dyson equation and exact self-energy operator. It is shown that IGF method gives a unified and natural approach for a calculation of the magnetic polaron states by taking explicitly into account the damping effects and finite lifetime. (author)

Polaronic transport in polysilanes

Czech Academy of Sciences Publication Activity Database

Nešpůrek, Stanislav; Nožár, Juraj; Kadashchuk, A.; Fishchuk, I. I.

2009-01-01

Roč. 193, č. 1 (2009), s. 1-4 ISSN 1742-6588. [International Conference on Electron Dynamics in Semiconductors, Optoelectronics and Nanostructures /16./. Montpellier, 24.08.2009-28.08.2009] R&D Projects: GA AV ČR IAA100100622; GA AV ČR KAN400720701 Institutional research plan: CEZ:AV0Z40500505 Keywords : polaronic transport * polysilanes * charge carrier mobility Subject RIV: CD - Macromolecular Chemistry

Tracking polaron generation in electrochemically doped polyaniline thin films

Science.gov (United States)

Kalagi, S. S.; Patil, P. S.

2018-04-01

Electrochemically deposited polyaniline films on ITO substrates have been studied for their optical properties. π-π*transitions inducing the formation of polarons and bipolarons have been studied from the optical spectra. The generation of these quasiparticles and the corresponding quantum of energy stored has been analysed and calculated from the experimental data. The evolution of polaron with increased levels of protonation has been identified and the necessary energy required for the transitions have been explained with the help of band structure diagram.

Polaron self-localization in white-light emitting hybrid perovskites

KAUST Repository

Cortecchia, Daniele

2017-02-03

Two-dimensional (2D) perovskites with the general formula APbX are attracting increasing interest as solution processable, white-light emissive materials. Recent studies have shown that their broadband emission is related to the formation of intra-gap colour centres. Here, we provide an in-depth description of the charge localization sites underlying the generation of such radiative centres and their corresponding decay dynamics, highlighting the formation of small polarons trapped within their lattice distortion field. Using a combination of spectroscopic techniques and first-principles calculations to study the white-light emitting 2D perovskites (EDBE)PbCl and (EDBE)PbBr, we infer the formation of Pb , Pb, and X (where X = Cl or Br) species confined within the inorganic perovskite framework. Due to strong Coulombic interactions, these species retain their original excitonic character and form self-trapped polaron-excitons acting as radiative colour centres. These findings are expected to be relevant for a broad class of white-light emitting perovskites with large polaron relaxation energy.

Observation of Spin Polarons in a Tunable Fermi Liquid of Ultracold Atoms

Science.gov (United States)

Zwierlein, Martin

2009-05-01

We have observed spin polarons, dressed spin down impurities in a spin up Fermi sea of ultracold atoms via tomographic RF spectroscopy. Feshbach resonances allow to freely tune the interactions between the two spin states involved. A single spin down atom immersed in a Fermi sea of spin up atoms can do one of two things: For strong attraction, it can form a molecule with exactly one spin up partner, but for weaker interaction it will spread its attraction and surround itself with a collection of majority atoms. This spin down atom dressed with a spin up cloud constitutes the spin- or Fermi polaron. We have observed a striking spectroscopic signature of this quasi-particle for various interaction strengths, a narrow peak in the spin down spectrum that emerges above a broad background. The spectra allow us to directly measure the polaron energy and the quasi-particle residue Z. The polarons are found to be only weakly interacting with each other, and can thus be identified with the quasi-particles of Landau's Fermi liquid theory. At a critical interaction strength, we observe a transition from spin one-half polarons to spin zero molecules. At this point the Fermi liquid undergoes a phase transition into a superfluid Bose liquid.

Magnetic polarons in a nonequilibrium polariton condensate

Science.gov (United States)

Mietki, Paweł; Matuszewski, Michał

2017-09-01

We consider a condensate of exciton polaritons in a diluted magnetic semiconductor microcavity. Such a system may exhibit magnetic self-trapping in the case of sufficiently strong coupling between polaritons and magnetic ions embedded in the semiconductor. We investigate the effect of the nonequilibrium nature of exciton polaritons on the physics of the resulting self-trapped magnetic polarons. We find that multiple polarons can exist at the same time, and we derive a critical condition for self-trapping that is different from the one predicted previously in the equilibrium case. Using the Bogoliubov-de Gennes approximation, we calculate the excitation spectrum and provide a physical explanation in terms of the effective magnetic attraction between polaritons, mediated by the ion subsystem.

Electron localization, polarons and clustered states in manganites

International Nuclear Information System (INIS)

Mannella, N.

2004-01-01

Full text: A recent multi-spectroscopic study of prototypical colossal magnetoresistance (CMR) compounds La 1-x Sr x MnO 3 (LSMO, x = 0.3, 0.4) using photoemission (PE), x-ray absorption (XAS), x-ray emission (XES) and extended x-ray absorption e structure (EXAFS) has exposed a dramatic change in the electronic structure on crossing the ferromagnetic-to-paramagnetic transition temperature (T C ). In particular, this investigation revealed an increase of the Mn magnetic moment by ca. 1 Bohr magneton and charge transfer to the Mn atom on crossing T C concomitant with the presence of Jahn-Teller distortions, thus providing direct evidence of lattice polaron formation. These results thus challenge the belief of some authors that the LSMO compounds are canonical double-exchange (DE) systems in which polaron formation is unimportant, and thus help to unify the theoretical description of the CMR oxides. The relationship of these data to other recent work suggesting electron localization, polarons and phase separation, along with additional measurements of magnetic susceptibility indicating the formation of ferromagnetic clusters in the metallic paramagnetic state above T C will be discussed

Polaronic and dressed molecular states in orbital Feshbach resonances

Science.gov (United States)

Xu, Junjun; Qi, Ran

2018-04-01

We consider the impurity problem in an orbital Feshbach resonance (OFR), with a single excited clock state | e ↑⟩ atom immersed in a Fermi sea of electronic ground state | g ↓⟩. We calculate the polaron effective mass and quasi-particle residue, as well as the polaron to molecule transition. By including one particle-hole excitation in the molecular state, we find significant correction to the transition point. This transition point moves toward the BCS side for increasing particle densities, which suggests that the corresponding many-body physics is similar to a narrow resonance.

Al-bound hole polarons in TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Stashans, Arvids, E-mail: arvids@utpl.edu.ec [Grupo de Fisicoquimica de Materiales, Instituto de Quimica Aplicada, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Bermeo, Sthefano [Grupo de Fisicoquimica de Materiales, Instituto de Quimica Aplicada, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)] [Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

2009-09-18

Changes in the structural and electronic properties of TiO{sub 2} (anatase and rutile) due to the Al-doping are studied using a quantum-chemical approach based on the Hartree-Fock theory. The formation of hole polarons trapped at oxygen sites near the Al impurity has been discovered and their spatial configuration are discussed. The occurrence of well-localized one-center hole polarons in rutile may influence its photocatalytic activity. Optical absorption energy for this hole center is obtained, 0.4 eV, using the {Delta}SCF approach.

Problems of linear electron (polaron) transport theory in semiconductors

CERN Document Server

Klinger, M I

1979-01-01

Problems of Linear Electron (Polaron) Transport Theory in Semiconductors summarizes and discusses the development of areas in electron transport theory in semiconductors, with emphasis on the fundamental aspects of the theory and the essential physical nature of the transport processes. The book is organized into three parts. Part I focuses on some general topics in the theory of transport phenomena: the general dynamical theory of linear transport in dissipative systems (Kubo formulae) and the phenomenological theory. Part II deals with the theory of polaron transport in a crystalline semicon

Polaronic and bipolaronic structures in the adiabatic Hubbard-Holstein model involving 2 electrons and its extensions

International Nuclear Information System (INIS)

Proville, L.

1998-01-01

This thesis brings its contribution to the bipolaronic theory which might explain the origin of superconductivity at high temperature. A polaron is a quasiparticle made up of a localized electron and a deformation in the crystal structure. 2 electrons in singlet states localized on the same site form a bipolaron. Whenever the Coulomb repulsion between the 2 electrons is too strong bipolaron turns into 2 no bound polarons. We study the existence and the mobility of bipolarons. We describe the electron-phonon interaction by the Holstein term and the Coulomb repulsion by the Hubbard term. 2 assumptions are made: - the local electron-phonon interaction is strong and opposes the Coulomb repulsion between Hubbard type electrons - the system is close to the adiabatic limit. The system is reduced to 2 electrons in order to allow an exact treatment and the investigation of some bipolaronic bound states. At 2-dimensions the existence of bipolarons requires a very strong coupling which forbids any classical mobility. In some cases an important tunneling effect appears and we show that mobile bipolarons exist in a particular parameter range. Near the adiabatic limit we prove that polaronic and bipolaronic structures exist for a great number of electrons. (A.C.)

Thermoelectric power of small polarons in magnetic semiconductors

International Nuclear Information System (INIS)

Liu, N.H.; Emin, D.

1984-01-01

The thermoelectric power (Seebeck coefficient) α of a small polaron in both ferromagnetic and antiferromagnetic semiconductors and insulators is calculated for the first time. In particular, we obtain the contribution to the Seebeck coefficient arising from exchange interactions between the severely localized carrier (i.e., small polaron) of charge q and the spins of the host lattice. In essence, we study the heat transported along with a carrier. This heat, the Peltier heat, Pi, is related to the Seebeck coefficient by the Kelvin relation: Pi = qTα, where T is the temperature. The heat per carrier is simply the product of the temperature and the change of the entropy of the system when a small polaron is added to it. The magnetic contribution to the Seebeck coefficient is therefore directly related to the change of the magnetic entropy of the system upon introduction of a charge carrier. We explicitly treat the intrasite and intersite exchange interactions between a small polaron and the spins of a spin-1/2 system. These magnetic interactions produce two competing contributions to the Seebeck coefficient. First, adding the carrier tends to provide extra spin freedom (e.g., spin up or spin down of the carrier). This effect augments the entropy of the system, thereby producing a positive contribution to the Peltier heat. Second, however, the additional exchange between the carrier and the sites about it enhances the exchange binding among these sites. This generally reduces the energetically allowable spin configurations. The concomitant reduction of the system's entropy provides a negative contribution to the Peltier heat. At the highest of temperatures, when kT exceeds the intrasite exchange energy, the first effect dominates. Then, the Peltier heat is simply augmented by kT ln2

Giant Optical Polarization Rotation Induced by Spin-Orbit Coupling in Polarons

Science.gov (United States)

Casals, Blai; Cichelero, Rafael; García Fernández, Pablo; Junquera, Javier; Pesquera, David; Campoy-Quiles, Mariano; Infante, Ingrid C.; Sánchez, Florencio; Fontcuberta, Josep; Herranz, Gervasi

2016-07-01

We have uncovered a giant gyrotropic magneto-optical response for doped ferromagnetic manganite La2 /3Ca1 /3MnO3 around the near room-temperature paramagnetic-to-ferromagnetic transition. At odds with current wisdom, where this response is usually assumed to be fundamentally fixed by the electronic band structure, we point to the presence of small polarons as the driving force for this unexpected phenomenon. We explain the observed properties by the intricate interplay of mobility, Jahn-Teller effect, and spin-orbit coupling of small polarons. As magnetic polarons are ubiquitously inherent to many strongly correlated systems, our results provide an original, general pathway towards the generation of magnetic-responsive gigantic gyrotropic responses that may open novel avenues for magnetoelectric coupling beyond the conventional modulation of magnetization.

Quantum transition and decoherence of levitating polaron on helium film thickness under an electromagnetic field

Science.gov (United States)

Kenfack, S. C.; Fotue, A. J.; Fobasso, M. F. C.; Djomou, J.-R. D.; Tiotsop, M.; Ngouana, K. S. L.; Fai, L. C.

2017-12-01

We have studied the transition probability and decoherence time of levitating polaron in helium film thickness. By using a variational method of Pekar type, the ground and the first excited states of polaron are calculated above the liquid-helium film placed on the polar substrate. It is shown that the polaron transits from the ground to the excited state in the presence of an external electromagnetic field in the plane. We have seen that, in the helium film, the effects of the magnetic and electric fields on the polaron are opposite. It is also shown that the energy, transition probability and decoherence time of the polaron depend sensitively on the helium film thickness. We found that decoherence time decreases as a function of increasing electron-phonon coupling strength and the helium film thickness. It is seen that the film thickness can be considered as a new confinement in our system and can be adjusted in order to reduce decoherence.

Small polaron hopping conduction mechanism in LiFePO4 glass and crystal

Science.gov (United States)

Banday, Azeem; Murugavel, Sevi

2017-01-01

The optimization of a cathode material is the most important criterion of lithium ion battery technology, which decides the power density. In order to improve the rate capability, a cathode material must possess high electronic and ionic conductivities. Therefore, it is important to understand the charge transport mechanism in such an advanced cathode material in its intrinsic state before modifying it by various means. In this work, we report the thermal, structural, and electrical conductivity studies on lithium iron phosphate, LiFePO4, both in its polycrystalline (LFPC) and glassy (LFPG) counterpart states. The vibrational spectroscopic measurements reveal the characteristic vibrational modes, which are the intrinsic part of LFPC, whereas in LFPG, the phonon modes become broader and overlap with each other due to the lattice disorder. The electrical conductivity measurements reveal that LFPG exhibits a higher polaronic conductivity of 1.6 orders than the LFPC sample. The temperature dependent dc conductivity has been analyzed with the Mott model of polarons and reveals the origin of enhanced polaronic conductivity in LFPG. Based on the analysis, the enhanced polaronic conductivity in LFPG has been attributed to the combined effect of reduced hopping length, decreased activation energy, and enhanced polaron concentration.

Small polarons in 2D perovskites

KAUST Repository

Cortecchia, Daniele; Yin, Jun; Birowosuto, Muhammad D.; Lo, Shu-Zee A.; Gurzadyan, Gagik G.; Bruno, Annalisa; Bredas, Jean-Luc; Soci, Cesare

2017-01-01

We demonstrate that white light luminescence in two-dimensional (2D) perovskites stems from photoinduced formation of small polarons confined at specific sites of the inorganic framework in the form of self-trapped electrons and holes. We discuss their application in white light emitting devices and X-ray scintillators.

Small polarons in 2D perovskites

KAUST Repository

Cortecchia, Daniele

2017-11-02

We demonstrate that white light luminescence in two-dimensional (2D) perovskites stems from photoinduced formation of small polarons confined at specific sites of the inorganic framework in the form of self-trapped electrons and holes. We discuss their application in white light emitting devices and X-ray scintillators.

Logarithmic corrections in a quantization rule. The polaron spectrum

International Nuclear Information System (INIS)

Karasev, M.V.; Pereskokov, A.V.

1994-01-01

A nonlinear integrodifferential equation that arises in polaron theory is considered. The integral nonlinearity is given by a convolution with the Coulomb potential. Radially symmetric solutions are sought. In the semiclassical limit, an equation for the self-consistent potential is found and studied. The potential has a logarithmic singularity at the origin, and also a turning point at 1. The phase shifts at these points are determined. The quantization rule that takes into account the logarithmic corrections gives a simple asymptotic formula for the polaron spectrum. Global semiclassical solutions of the original nonlinear equation are constructed. 18 refs., 1 tab

Appearance of small polaron hopping conduction in iron modified cobalt lithium bismuth borate glasses

Energy Technology Data Exchange (ETDEWEB)

Dahiya, M. S.; Khasa, S., E-mail: skhasa@yahoo.com; Yadav, Arti [Physics Department, Deenbandhu Chhotu Ram University of Science and Technology, Murthal, India-131039 (India); Agarwal, A. [Applied Physics Department, Guru Jambheshwara University of Science and Technology, Hisar, India-125001 (India)

2016-05-23

Lithium bismuth borate glasses containing different amounts of cobalt and iron oxides having chemical composition xFe{sub 2}O{sub 3}•(20-x)CoO•30Li{sub 2}O•10Bi{sub 2}O{sub 3}•40B{sub 2}O{sub 3} (x = 0, 5, 10, 15 and 20 mol% abbreviated as CFLBB1-5 respectively) prepared via melt quench technique have been investigated for their dc electrical conductivity. The amorphous nature of prepared glasses has been confirmed through X-ray diffraction measurements. The dc electrical conductivity has been analyzed by applying Mott’s small polaron hopping model. Activation energies corresponding to lower and higher temperature region have been evaluated. The iron ion concentration (N), mean spacing between iron ions (R) and polaron radius (R{sub p}) has been evaluated using the values of phonon radius (R{sub ph}) and Debye temperature (θ{sub D}). The glass sample without iron (CFLBB1) shows ionic conductivity but the incorporation of iron in the glass matrix results in the appearance of electronic conductivity.

Mechanism of small-polaron formation in the biferroic YCrO{sub 3} doped with calcium

Energy Technology Data Exchange (ETDEWEB)

Duran, A., E-mail: dural@cnyn.unam.mx [Universidad Nacional Autonoma de Mexico, Centro de Nanociencias y Nanotecnologia, Apartado Postal 41, C.P. 22800, Ensenada, B.C. (Mexico); Verdin, E. [Universidad de Sonora, Departamento de Fisica, Apartado Postal 1626, Hermosillo, Sonora C.P. 8300 (Mexico); Escamilla, R.; Morales, F.; Escudero, R. [Universidad Nacional Autonoma de Mexico, Instituto de Investigaciones en Materiales, Apartado Postal 70-360, Mexico D.F. 04510 (Mexico)

2012-04-16

Highlights: Black-Right-Pointing-Pointer The Ca doped in the YCrO3 matrix was analyzed by means of complete structural, magnetic and electric properties. Black-Right-Pointing-Pointer E{sub act} deduced by Arrhenius' Law suggests small-polarons as conduction mechanisms in pristine and doped sample. Black-Right-Pointing-Pointer Local non-centrosymmetry in pristine sample is proposed as responsible of small polarons formation. Black-Right-Pointing-Pointer A mechanism of formation of small polarons is proposed supported by experimental evidence. Black-Right-Pointing-Pointer The structural distortion caused by the Ca doped in the YCrO3 matrix is harmful to the Ferroic properties. - Abstract: The effects of Ca substitutions on the structure, magnetism and electrical properties of YCrO{sub 3} ceramics are investigated by X-ray diffraction, magnetic susceptibility and electrical conductivity measurements. The cell volume decrease occurs through the change from Cr(III) to Cr(IV) as a result of the charge compensation of the Ca doping. No changes are observed in the antiferromagnetic transition temperature while strong changes are observed in the transport measurements due to Ca content. The increase of the electrical conductivity as well as the decrease of the activation energy is caused by the formation of the small-polarons localized in the O-Cr-O lattice distortion. The origin of small-polarons in the undoped sample is different in nature from the calcium doped. 'Local non-centrosymmetry' is the source of the small-polaron formation in undoped sample, while the change from Cr(III) to Cr(IV) through the charge compensation of Ca(II) in the Y(III) site is the source of small-polarons formations. The decrease of the average bond length Cr-O as well as effective moments in the paramagnetic state and the increase of the electrical conductivity are clear evidence that the Ca doping induces localized polarons, which in turn, these quasiparticles move from site to

Optical Detection of Polarons in High - Tc Cuprate

International Nuclear Information System (INIS)

Calvani, P.; Capizzi, M.; Lupi, S.; Maselli, P.; Paolone, A.; Roy LURE, P.; Berger, H.

1995-01-01

The optical conductivity σ (ω) of slightly e-doped single-crystals of (Nd,Gd) 2 CuO 4-y shows local modes in the far-infrared as well as a broad infrared absorption centered at ∼ 0.1 eV (d-band). This latter shows a fine structure, in agreement with recent calculations of Alexandrov et al., which is made up by intense overtones of the local modes observed in the far-infrared. Similar polaronic structures are shown to exist in the normal metallic phase of Nd 2-x Ce x CuO 4-y and even in the σ (ω ) of YBCO crystals, measured by different authors. The present observations provide evidence for the existence of small polarons in all materials with a Cu-O plane

Explanation for the temperature dependence of plasma frequencies in SrTiO3 using mixed-polaron theory

International Nuclear Information System (INIS)

Eagles, D.M.; Georgiev, M.; Petrova, P.C.

1996-01-01

A theory of mixed polarons is used to interpret the published experimental results of Gervais et al. on temperature-dependent plasma frequencies in Nb-doped SrTiO 3 . For given polaron masses before mixing, the appropriate average mixed-polaron mass at any temperature T depends on two quantities, δ and b, which are measures of the separation between the bottoms of large and nearly small polaron bands before mixing and of a mixing matrix element; δ and b are assumed to have arbitrary linear dependences on T, probably related to a T dependence of the bare mass, and a term quadratic in T is included in δ, determined from the T dependence of large-polaron binding energies. Including a constraint on the ratio δ/|b| at low T from known masses from specific-heat data, satisfactory agreement is obtained with masses determined from plasma frequencies. This gives further support for the theory of mixed polarons in SrTiO 3 in addition to that already published. copyright 1996 The American Physical Society

Quantum Monte Carlo simulations of the Fermi-polaron problem and bosons with Gaussian interactions

Energy Technology Data Exchange (ETDEWEB)

Kroiss, Peter Michael

2017-02-01

This thesis deals with the application of current Quantum Monte Carlo algorithms to many-body systems of fermionic and bosonic species. The first part applies the diagrammatic Monte Carlo method to the Fermi polaron problem, a system of an impurity interacting resonantly with a homogeneous Fermi bath. It is numerically shown that the three particle-hole diagrams do not contribute significantly to the final answer in a quasi-two-dimensional setup, thus demonstrating a nearly perfect destructive interference of contributions in subspaces with higher-order particle-hole lines. Consequently, for strong-enough confinement in the third direction, the transition between the polaron and the molecule ground state is found to be in good agreement with the pure two-dimensional case and agrees very well with the one found by the wave-function approach in the two-particle-hole subspace. In three-dimensional Fermi-polaron systems with mass imbalance of impurity and bath atoms, polaron energy and quasiparticle residue can be accurately determined over a broad range of impurity masses. Furthermore, the spectral function of an imbalanced polaron demonstrates the stability of the quasiparticle and also allows us to locate the repulsive polaron as an excited state. The quantitative exactness of two-particle-hole wave functions is investigated, resulting in a relative lowering of polaronic energies in the mass-imbalance phase diagram. Tan's contact coefficient for the mass-balanced polaron system is found to be in good agreement with variational methods. Mass-imbalanced systems can be studied experimentally by ultracold atom mixtures such as {sup 6}Li-{sup 40}K. In the second part of the thesis, the ground state of a two-dimensional system of Bose particles of spin zero, interacting via a repulsive Gaussian-Core potential, is investigated by means of path integral Monte Carlo simulations. The quantum phase diagram is qualitatively identical to that of two-dimensional Yukawa

Size dependent polaronic conduction in hematite

International Nuclear Information System (INIS)

Sharma, Monika; Banday, Azeem; Murugavel, Sevi

2016-01-01

Lithium Ion Batteries have been attracted as the major renewable energy source for all portable electronic devices because of its advantages like superior energy density, high theoretical capacity, high specific energy, stable cycling and less memory effects. Recently, α-Fe_2O_3 has been considered as a potential anode material due to high specific capacity, low cost, high abundance and environmental benignity. We have synthesized α-Fe_2O_3 with various sizes by using the ball milling and sol-gel procedure. Here, we report the dc conductivity measurement for the crystallite size ranging from 15 nm to 50 nm. It has been observed that the enhancement in the polaronic conductivity nearly two orders in magnitude while reducing the crystallite size from bulk into nano scale level. The enhancement in the conductivity is due to the augmented to compressive strain developed in the material which leads to pronounced decrease in the hopping length of polarons. Thus, nanocrystaline α-Fe_2O_3 may be a better alternative anode material for lithium ion batteries than earlier reported systems.

A polaronic model of superconductivity in doped fulleride systems

International Nuclear Information System (INIS)

Tiwari, S.C.

2007-01-01

Full text: A polaronic model of superconductivity in doped fulleride systems is presented. The normal and anomalous one-particle Green's functions are derived for a system with strong electron phonon coupling. The study of collapse of the electron band and the phonon vacuum is presented within the mean-field approximation. Self consistent equation for the superconducting order parameter is derived using Green's function technique and following Lang and Firsov transformations. Expressions for specific heat, density of states, free energy and critical field based on this model have been derived. The theory is applied to explain the experimental results in the systems K 3 C 60 and Rb 3 C 6 O. These results are in good agreement with the available experimental data. (authors)

Parton Theory of Magnetic Polarons: Mesonic Resonances and Signatures in Dynamics

Science.gov (United States)

Grusdt, F.; Kánasz-Nagy, M.; Bohrdt, A.; Chiu, C. S.; Ji, G.; Greiner, M.; Greif, D.; Demler, E.

2018-01-01

When a mobile hole is moving in an antiferromagnet it distorts the surrounding Néel order and forms a magnetic polaron. Such interplay between hole motion and antiferromagnetism is believed to be at the heart of high-temperature superconductivity in cuprates. In this article, we study a single hole described by the t -Jz model with Ising interactions between the spins in two dimensions. This situation can be experimentally realized in quantum gas microscopes with Mott insulators of Rydberg-dressed bosons or fermions, or using polar molecules. We work at strong couplings, where hole hopping is much larger than couplings between the spins. In this regime we find strong theoretical evidence that magnetic polarons can be understood as bound states of two partons, a spinon and a holon carrying spin and charge quantum numbers, respectively. Starting from first principles, we introduce a microscopic parton description which is benchmarked by comparison with results from advanced numerical simulations. Using this parton theory, we predict a series of excited states that are invisible in the spectral function and correspond to rotational excitations of the spinon-holon pair. This is reminiscent of mesonic resonances observed in high-energy physics, which can be understood as rotating quark-antiquark pairs carrying orbital angular momentum. Moreover, we apply the strong-coupling parton theory to study far-from-equilibrium dynamics of magnetic polarons observable in current experiments with ultracold atoms. Our work supports earlier ideas that partons in a confining phase of matter represent a useful paradigm in condensed-matter physics and in the context of high-temperature superconductivity in particular. While direct observations of spinons and holons in real space are impossible in traditional solid-state experiments, quantum gas microscopes provide a new experimental toolbox. We show that, using this platform, direct observations of partons in and out of equilibrium are

Breakdown of the lattice polaron picture in La0.7Ca0.3MnO3 single crystals

International Nuclear Information System (INIS)

Chun, S. H.; Salamon, M. B.; Tomioka, Y.; Tokura, Y.

2000-01-01

When heated through the magnetic transition at T C , La 0.7 Ca 0.3 MnO 3 changes from a band metal to a polaronic insulator. The Hall constant R H , through its activated behavior and sign anomaly, provides key evidence for polaronic behavior. We use R H and the Hall mobility to demonstrate the breakdown of the polaron phase. Above 1.4T C , the polaron picture holds in detail, while below, the activation energies of both R H and the mobility deviate strongly from their polaronic values. These changes reflect the presence of metallic, ferromagnetic fluctuations, in the volume of which the Hall effect develops additional contributions tied to quantal phases. (c) 2000 The American Physical Society

Holstein polaron in a valley-degenerate two-dimensional semiconductor.

Science.gov (United States)

Kang, Mingu; Jung, Sung Won; Shin, Woo Jong; Sohn, Yeongsup; Ryu, Sae Hee; Kim, Timur K; Hoesch, Moritz; Kim, Keun Su

2018-05-28

Two-dimensional (2D) crystals have emerged as a class of materials with tunable carrier density 1 . Carrier doping to 2D semiconductors can be used to modulate many-body interactions 2 and to explore novel composite particles. The Holstein polaron is a small composite particle of an electron that carries a cloud of self-induced lattice deformation (or phonons) 3-5 , which has been proposed to play a key role in high-temperature superconductivity 6 and carrier mobility in devices 7 . Here we report the discovery of Holstein polarons in a surface-doped layered semiconductor, MoS 2 , in which a puzzling 2D superconducting dome with the critical temperature of 12 K was found recently 8-11 . Using a high-resolution band mapping of charge carriers, we found strong band renormalizations collectively identified as a hitherto unobserved spectral function of Holstein polarons 12-18 . The short-range nature of electron-phonon (e-ph) coupling in MoS 2 can be explained by its valley degeneracy, which enables strong intervalley coupling mediated by acoustic phonons. The coupling strength is found to increase gradually along the superconducting dome up to the intermediate regime, which suggests a bipolaronic pairing in the 2D superconductivity.

Influence of impurities on the polaron effective mass

International Nuclear Information System (INIS)

Lima, R.A.T. de.

1975-01-01

Using the Green Function formalism, it is verified the Rodriguez's model for the effective mass of the polaron at finite temperature in the presence of 'traps'. Some aspects of this model were discussed. (M.W.O.) [pt

Polaron scattering by an external field

International Nuclear Information System (INIS)

Kochetov, E.A.

1980-01-01

The problem of polaron scattering by an external field is studied. The problem is solved using the stationary scattering theory formalism based on two operators: the G Green function operator and the T scattering operator. The dependence of the scattering amplitude on the quasi particle structure is studied. The variation approach is used for estimation of the ground energy level

Stability and Polaronic Motion of Self-Trapped Holes in Silver Halides

DEFF Research Database (Denmark)

Loftager, Simon; Garcia-Fernandez, P.; Aramburu, J. A.

2016-01-01

Polarons and their associated transport properties are a field of great current interest both in chemistry and physics. To further our understanding of these quasi-particles, we have carried out first-principles calculations of self-trapped holes (STHs) in the model compounds AgCl and AgBr, for w......Polarons and their associated transport properties are a field of great current interest both in chemistry and physics. To further our understanding of these quasi-particles, we have carried out first-principles calculations of self-trapped holes (STHs) in the model compounds AgCl and Ag...

Size dependent polaronic conduction in hematite

Energy Technology Data Exchange (ETDEWEB)

Sharma, Monika; Banday, Azeem; Murugavel, Sevi [Department of Physics and Astrophysics, University of Delhi, Delhi – 110 007 (India)

2016-05-23

Lithium Ion Batteries have been attracted as the major renewable energy source for all portable electronic devices because of its advantages like superior energy density, high theoretical capacity, high specific energy, stable cycling and less memory effects. Recently, α-Fe{sub 2}O{sub 3} has been considered as a potential anode material due to high specific capacity, low cost, high abundance and environmental benignity. We have synthesized α-Fe{sub 2}O{sub 3} with various sizes by using the ball milling and sol-gel procedure. Here, we report the dc conductivity measurement for the crystallite size ranging from 15 nm to 50 nm. It has been observed that the enhancement in the polaronic conductivity nearly two orders in magnitude while reducing the crystallite size from bulk into nano scale level. The enhancement in the conductivity is due to the augmented to compressive strain developed in the material which leads to pronounced decrease in the hopping length of polarons. Thus, nanocrystaline α-Fe{sub 2}O{sub 3} may be a better alternative anode material for lithium ion batteries than earlier reported systems.

First-Principles Modeling of Polaron Formation in TiO2 Polymorphs.

Science.gov (United States)

Elmaslmane, A R; Watkins, M B; McKenna, K P

2018-06-21

We present a computationally efficient and predictive methodology for modeling the formation and properties of electron and hole polarons in solids. Through a nonempirical and self-consistent optimization of the fraction of Hartree-Fock exchange (α) in a hybrid functional, we ensure the generalized Koopmans' condition is satisfied and self-interaction error is minimized. The approach is applied to model polaron formation in known stable and metastable phases of TiO 2 including anatase, rutile, brookite, TiO 2 (H), TiO 2 (R), and TiO 2 (B). Electron polarons are predicted to form in rutile, TiO 2 (H), and TiO 2 (R) (with trapping energies ranging from -0.02 eV to -0.35 eV). In rutile the electron localizes on a single Ti ion, whereas in TiO 2 (H) and TiO 2 (R) the electron is distributed across two neighboring Ti sites. Hole polarons are predicted to form in anatase, brookite, TiO 2 (H), TiO 2 (R), and TiO 2 (B) (with trapping energies ranging from -0.16 eV to -0.52 eV). In anatase, brookite, and TiO 2 (B) holes localize on a single O ion, whereas in TiO 2 (H) and TiO 2 (R) holes can also be distributed across two O sites. We find that the optimized α has a degree of transferability across the phases, with α = 0.115 describing all phases well. We also note the approach yields accurate band gaps, with anatase, rutile, and brookite within six percent of experimental values. We conclude our study with a comparison of the alignment of polaron charge transition levels across the different phases. Since the approach we describe is only two to three times more expensive than a standard density functional theory calculation, it is ideally suited to model charge trapping at complex defects (such as surfaces and interfaces) in a range of materials relevant for technological applications but previously inaccessible to predictive modeling.

Crossover from Polaronic to Magnetically Phase-Separated Behavior in La1-xSrxCoO3

Science.gov (United States)

Phelan, D.; El Khatib, S.; Wang, S.; Barker, J.; Zhao, J.; Zheng, H.; Mitchell, J. F.; Leighton, C.

2013-03-01

Dilute hole-doping in La1-xSrxCoO3 leads to the formation of ``spin-state polarons'' where a non-zero spin-state is stabilized on the nearest Co3+ ions surrounding a hole. Here, we discuss the development of electronic/magnetic properties of this system from non-magnetic x=0, through the regime of spin-state polarons, and into the region where longer-range spin correlations and phase separation develop. We present magnetometry, transport, heat capacity, and small-angle neutron scattering (SANS) on single crystals. Magnetometry indicates a crossover with x from Langevin-like behavior (polaronic) to a state with a freezing temperature and finite coercivity. Fascinating correlations with this behavior are seen in transport measurements, the evolution from polaronic to clustered states being accompanied by a crossover from Mott variable range hopping to intercluster hopping. SANS data shows Lorentzian scattering from short-range ferromagnetic clusters first emerging around x = 0.03 with correlation lengths of order two unit cells. We argue that this system provides a unique opportunity to understand in detail the crossover from polaronic to truly phase-separated states.

Determining a hopping polaron's bandwidth from its Seebeck coefficient: Measuring the disorder energy of a non-crystalline semiconductor

International Nuclear Information System (INIS)

Emin, David

2016-01-01

Charge carriers that execute multi-phonon hopping generally interact strongly enough with phonons to form polarons. A polaron's sluggish motion is linked to slowly shifting atomic displacements that severely reduce the intrinsic width of its transport band. Here a means to estimate hopping polarons' bandwidths from Seebeck-coefficient measurements is described. The magnitudes of semiconductors' Seebeck coefficients are usually quite large (>k/|q| = 86 μV/K) near room temperature. However, in accord with the third law of thermodynamics, Seebeck coefficients must vanish at absolute zero. Here, the transition of the Seebeck coefficient of hopping polarons to its low-temperature regime is investigated. The temperature and sharpness of this transition depend on the concentration of carriers and on the width of their transport band. This feature provides a means of estimating the width of a polaron's transport band. Since the intrinsic broadening of polaron bands is very small, less than the characteristic phonon energy, the net widths of polaron transport bands in disordered semiconductors approach the energetic disorder experienced by their hopping carriers, their disorder energy

Frequency and temperature dependence of the electrical conductivity of KTaO3; Li and PbTiO3; La, Cu: Indication of a low temperature polaron mechanism

International Nuclear Information System (INIS)

Levstik, A.; Filipic, C.; Bidault, O.; Maglione, M.

2008-01-01

Recently, the concept of polarons has again been at the focus of solid-state research, as it can constitute the basis for understanding the high-temperature superconductivity or the colossal magnetoresistance of materials. More than a decade ago there were some indications that polarons play an important role in explaining low temperature maxima in imaginary part of the dielectric constant ε '' (T) in ABO 3 perovskites. In the present work we report the ac electrical conductivities of KTaO 3 ; Li and PbTiO 3 ; La, Cu and their frequency and temperature dependence. The real part of the complex ac conductivity was found to follow the universal dielectric response σ ' ∝ν s . A detailed theoretical analysis of the temperature dependence of the parameter s revealed that, at low temperatures, the tunnelling of small polarons is the dominating charge transport mechanism in ABO 3 perovskites

Polaron self-localization in white-light emitting hybrid perovskites

KAUST Repository

Cortecchia, Daniele; Yin, Jun; Bruno, Annalisa; Lo, Shu Zee Alencious; Gurzadyan, Gagik G.; Mhaisalkar, Subodh; Bredas, Jean-Luc; Soci, Cesare

2017-01-01

within the inorganic perovskite framework. Due to strong Coulombic interactions, these species retain their original excitonic character and form self-trapped polaron-excitons acting as radiative colour centres. These findings are expected to be relevant

Zero-Magnetic-Field Spin Splitting of Polaron's Ground State Energy Induced by Rashba Spin-Orbit Interaction

International Nuclear Information System (INIS)

Liu Jia; Xiao Jingling

2006-01-01

We study theoretically the ground state energy of a polaron near the interface of a polar-polar semiconductor by considering the Rashba spin-orbit (SO) coupling with the Lee-Low-Pines intermediate coupling method. Our numerical results show that the Rashba SO interaction originating from the inversion asymmetry in the heterostructure splits the ground state energy of the polaron. The electron areal density and vector dependence of the ratio of the SO interaction to the total ground state energy or other energy composition are obvious. One can see that even without any external magnetic field, the ground state energy can be split by the Rashba SO interaction, and this split is not a single but a complex one. Since the presents of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the polaron are more stable than electron's.

Free flight in parameter space

DEFF Research Database (Denmark)

Dahlstedt, Palle; Nilsson, Per Anders

2008-01-01

with continuous interpolation between population members. With a suitable sound engine, the system forms a surprisingly expressive performance instrument, used by the electronic free impro duo pantoMorf in concerts and recording sessions over the last year.......The well-known difficulty of controlling many synthesis parameters in performance, for exploration and expression, is addressed. Inspired by interactive evolution, random vectors in parameter space are assigned to an array of pressure sensitive pads. Vectors are scaled with pressure and added...... to define the current point in parameter space. Vectors can be scaled globally, allowing exploration of the whole space or minute timberal expression. The vector origin can be shifted at any time, allowing exploration of subspaces. In essence, this amounts to mutation-based interactive evolution...

Small polaron conduction in lead modified lanthanum ferrite ceramics

Energy Technology Data Exchange (ETDEWEB)

Bhargav, K.K.; Ram, S.; Majumder, S.B., E-mail: subhasish@matsc.iitkgp.ernet.in

2015-07-25

Highlights: • La{sub 0.8}Pb{sub 0.2}FeO{sub 3} (ε{sub r} ∼ 30,000) shows higher dielectric constant than LaFeO{sub 3} (∼14,000). • Lower A-site dopant content, the dielectric maxima shift to higher temperature. • The frequency dependence of ε{sub r} and tan δ vs. temperature exhibit CDC like behavior. • R{sub g} and R{sub gb} of Pb modified LaFeO{sub 3} follow small polaron hopping conduction model. - Abstract: In the present work we have illustrated the physics of the electrical characteristics of nanocrystalline La{sub 1−x}Pb{sub x}FeO{sub 3,} (0 ⩽ x ⩽ 0.2) powder prepared using auto-combustion synthesis. The effect of lead doping on the dielectric, impedance and ac conductivity characteristics of lanthanum ferrite has systematically been investigated. The synthesized powders were phase pure and crystallized into centro-symmetric Pnma space group. As compared to pure LaFeO{sub 3} ceramics (dielectric constant ∼ 14,000), the dielectric constant is grossly increased (∼30,000) in Pb doped LaFeO{sub 3}. The temperature dependence of dielectric constant of 10.0 at.% Pb doped LaFeO{sub 3} exhibits dielectric maxima similar to that observed in ferroelectric ceramics with non-centrosymmetric point group. For La{sub 0.8}Pb{sub 0.2}FeO{sub 3} ceramics, the frequency dependence of the dielectric constant and loss tangent at various temperatures (300–450 K) exhibit typical colossal dielectric constant (CDC) like behavior. From the impedance spectroscopy we have estimated the grain and grain boundary resistance and capacitance of Pb doped LaFeO{sub 3} that follow a small polaron hopping conduction model. Long range movement of the charge carriers govern the CDC behavior.

Raman and optical spectroscopic studies of small-to-large polaron crossover in the perovskite manganese oxides

International Nuclear Information System (INIS)

Yoon, S.; Liu, H.L.; Schollerer, G.; Cooper, S.L.; Han, P.D.; Payne, D.A.; Cheong, S.; Fisk, Z.

1998-01-01

We present an optical reflectance and Raman-scattering study of the A 1-x A ' x MnO 3 system as a function of temperature and doping (0.2≤x≤0.5). The metal-semiconductor transition in the A 1-x A ' x MnO 3 system is characterized by a change from a diffusive electronic Raman-scattering response in the high-temperature paramagnetic phase, to a flat continuum scattering response in the low-temperature ferromagnetic phase. We interpret this change in the scattering response as a crossover from a small-polaron-dominated regime at high temperatures to a large-polaron-dominated low-temperature regime. Interestingly, we observe evidence for the coexistence of large and small polarons in the low-temperature ferromagnetic phase. We contrast these results with those obtained for EuB 6 , which is a low-T c magnetic semiconductor with similar properties to the manganites, but with a substantially reduced carrier density and polaron energy. copyright 1998 The American Physical Society

Localized polarons and doorway vibrons in finite quantum structures

Czech Academy of Sciences Publication Activity Database

Fehske, H.; Wellein, G.; Loos, Jan; Bishop, A. R.

2008-01-01

Roč. 77, č. 8 (2008), 085117/1-085117/6 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z10100521 Keywords : quantum dots * electron - phonon interaction * polarons Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.322, year: 2008

Effect of base-pair inhomogeneities on charge transport along the DNA molecule, mediated by twist and radial polarons

International Nuclear Information System (INIS)

Palmero, F; Archilla, J F R; Hennig, D; Romero, F R

2004-01-01

Some recent results for a three-dimensional, semi-classical, tight-binding model for DNA show that there are two types of polarons, namely radial and twist polarons, which can transport charge along the DNA molecule. However, the existence of two types of base pairs in real DNA makes it crucial to find out if charge transport also exists in DNA chains with different base pairs. In this paper, we address this problem in its simple case, a homogeneous chain except for a single different base pair, which we call a base-pair inhomogeneity, and its effect on charge transport. Radial polarons experience either reflection or trapping. However, twist polarons are good candidates for charge transport along real DNA. This transport is also very robust with respect to weak parametric and diagonal disorder

Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach

Science.gov (United States)

Xu, Dazhi; Cao, Jianshu

2016-08-01

The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.

Diagrammatic Monte Carlo study of Fröhlich polaron dispersion in two and three dimensions

Science.gov (United States)

Hahn, Thomas; Klimin, Sergei; Tempere, Jacques; Devreese, Jozef T.; Franchini, Cesare

2018-04-01

We present results for the solution of the large polaron Fröhlich Hamiltonian in 3 dimensions (3D) and 2 dimensions (2D) obtained via the diagrammatic Monte Carlo (DMC) method. Our implementation is based on the approach by Mishchenko [A. S. Mishchenko et al., Phys. Rev. B 62, 6317 (2000), 10.1103/PhysRevB.62.6317]. Polaron ground state energies and effective polaron masses are successfully benchmarked with data obtained using Feynman's path integral formalism. By comparing 3D and 2D data, we verify the analytically exact scaling relations for energies and effective masses from 3 D →2 D , which provides a stringent test for the quality of DMC predictions. The accuracy of our results is further proven by providing values for the exactly known coefficients in weak- and strong-coupling expansions. Moreover, we compute polaron dispersion curves which are validated with analytically known lower and upper limits in the small-coupling regime and verify the first-order expansion results for larger couplings, thus disproving previous critiques on the apparent incompatibility of DMC with analytical results and furnishing useful reference for a wide range of coupling strengths.

Magnetic Polarons in Anisotropic Quantum Dots

Science.gov (United States)

Oszwaldowski, Rafal; Petukhov, Andre; Zutic, Igor

2010-03-01

Tunability of confinement in magnetically-doped quantum dots (QDs) allows to tailor magnetism to an extent not available in bulk semiconductors. Versatile control of magnetic ordering, along with piezomagnetism, has been predicted even at a fixed number of carriers [1]. Recent experiments on colloidal QDs revealed strongly bound magnetic polarons (MPs) [2]. Previous studies of MPs in bulk semiconductors showed that the mean-field theory predicts a spurious magnetic phase transition, which is removed by taking into account spin fluctuations [3]. Here we present our theoretical results for MPs forming in QDs with pronounced magnetic anisotropy, which influences the spin fluctuations. We apply our findings to explain some peculiarities of the magnetic behavior of type-II ZnSe/(Zn,Mn)Te QDs, where magnetic polarons are found to persist to at least 200K [4]. Supported by ONR, AFOSR, and NSF-ECCS CAREER. [4pt] [1] R. M. Abolfath, A. G. Petukhov, and I. Zutic, Phys. Rev. Lett. 101, 207202 (2008); I. Zutic and A. G. Petukhov, Nature Mater.4, 623 (2009). [0pt] [2] R. Beaulac et al., Science 325, 973 (2009). [0pt] [3] T. Dietl and J. Spalek, Phys. Rev. Lett. 48, 355 (1982). [0pt] [4] I. R. Sellers, R. Oszwaldowski, et al., preprint; I. R. Sellers et al., Phys. Rev. Lett. 100, 136405 (2008).

DFT+U study of polaronic conduction in Li2O2 and Li2CO3

DEFF Research Database (Denmark)

García Lastra, Juan Maria; Myrdal, J.S.G.; Christensen, Rune

2013-01-01

The main discharge products formed at the cathode of nonaqueous Li-air batteries are known to be Li2O2 and residual Li2CO3. Recent experiments indicate that the charge transport through these materials is the main limiting factor for the battery performance. It has been also shown...... that the performance of the battery decreases drastically when the amount of Li2CO3 at the cathode increases with respect to Li2O2. In this work, we study the formation and transport of hole and electron polarons in Li2O2 and Li2CO3 using density functional theory (DFT) within the PBE+U approximation. For both...... materials, we find that the formation of polarons (both hole and electron) is stabilized with respect to the delocalized states for all physically relevant values of U. We find a much higher mobility for hole polarons than for the electron polarons, and we show that the poor charge transport in Li2CO3...

Direct observation of anisotropic small-hole polarons in an orthorhombic structure of BiV O4 films

Science.gov (United States)

Chaudhuri, A.; Mandal, L.; Chi, X.; Yang, M.; Scott, M. C.; Motapothula, M.; Yu, X. J.; Yang, P.; Shao-Horn, Y.; Venkatesan, T.; Wee, A. T. S.; Rusydi, A.

2018-05-01

Here, we report an anisotropic small-hole polaron in an orthorhombic structure of BiV O4 films grown by pulsed-laser deposition on yttrium-doped zirconium oxide substrate. The polaronic state and electronic structure of BiV O4 films are revealed using a combination of polarization-dependent x-ray absorption spectroscopy at V L3 ,2 edges, spectroscopic ellipsometry, x-ray photoemission spectroscopies, and high-resolution x-ray diffraction with the support of first-principles calculations. We find that in the orthorhombic phase, which is slightly different from the conventional pucherite structure, the unoccupied V 3d orbitals and charge inhomogeneities lead to an anisotropic small-hole polaron state. Our result shows the importance of the interplay of charge and lattice for the formation of a hole polaronic state, which has a significant impact in the electrical conductivity of BiV O4 , hence its potential use as a photoanode for water splitting.

Multi-impurity polarons in a dilute Bose-Einstein condensate

International Nuclear Information System (INIS)

Santamore, D H; Timmermans, Eddy

2011-01-01

We describe the ground state of a large, dilute, neutral atom Bose-Einstein condensate (BEC) doped with N strongly coupled mutually indistinguishable, bosonic neutral atoms (referred to as ‘impurity’) in the polaron regime where the BEC density response to the impurity atoms remains significantly smaller than the average density of the surrounding BEC. We find that N impurity atoms with N ≠ 1 can self-localize at a lower value of the impurity-boson interaction strength than a single impurity atom. When the ‘bare’ short-range impurity-impurity repulsion does not play a significant role, the self-localization of multiple bosonic impurity atoms into the same single particle orbital (which we call co-self-localization) is the nucleation process of the phase separation transition. When the short-range impurity-impurity repulsion successfully competes with co-self-localization, the system may form a stable liquid of self-localized single impurity polarons. (paper)

Fingerprints of spin-orbital polarons and of their disorder in the photoemission spectra of doped Mott insulators with orbital degeneracy

Science.gov (United States)

Avella, Adolfo; Oleś, Andrzej M.; Horsch, Peter

2018-04-01

We explore the effects of disordered charged defects on the electronic excitations observed in the photoemission spectra of doped transition metal oxides in the Mott insulating regime by the example of the R1 -xCaxVO3 perovskites, where R = La, ⋯, Lu. A fundamental characteristic of these vanadium d2 compounds with partly filled t2 g valence orbitals is the persistence of spin and orbital order up to high doping, in contrast to the loss of magnetic order in high-Tc cuprates at low defect concentration. We study the disordered electronic structure of such doped Mott-Hubbard insulators within the unrestricted Hartree-Fock approximation and, as a result, manage to explain the spectral features that occur in photoemission and inverse photoemission. In particular, (i) the atomic multiplet excitations in the inverse photoemission spectra and the various defect-related states and satellites are qualitatively well reproduced, (ii) a robust Mott gap survives up to large doping, and (iii) we show that the defect states inside the Mott gap develop a soft gap at the Fermi energy. The soft defect-states gap, which separates the highest occupied from the lowest unoccupied states, can be characterized by a shape and a scale parameter extracted from a Weibull statistical sampling of the density of states near the chemical potential. These parameters provide a criterion and a comprehensive schematization for the insulator-metal transition in disordered systems. Our results provide clear indications that doped holes are bound to charged defects and form small spin-orbital polarons whose internal kinetic energy is responsible for the opening of the soft defect-states gap. We show that this kinetic gap survives disorder fluctuations of defects and is amplified by the long-range electron-electron interactions, whereas we observe a Coulomb singularity in the atomic limit. The small size of spin-orbital polarons is inferred by an analysis of the inverse participation ratio and by

Energy Migration in Organic Thin Films--From Excitons to Polarons

Science.gov (United States)

Mullenbach, Tyler K.

The rise of organic photovoltaic devices (OPVs) and organic light-emitting devices has generated interest in the physics governing exciton and polaron dynamics in thin films. Energy transfer has been well studied in dilute solutions, but there are emergent properties in thin films and greater complications due to complex morphologies which must be better understood. Despite the intense interest in energy transport in thin films, experimental limitations have slowed discoveries. Here, a new perspective of OPV operation is presented where photovoltage, instead of photocurrent, plays the fundamental role. By exploiting this new vantage point the first method of measuring the diffusion length (LD) of dark (non-luminescent) excitons is developed, a novel photodetector is invented, and the ability to watch exciton arrival, in real-time, at the donor-acceptor heterojunction is presented. Using an enhanced understanding of exciton migration in thin films, paradigms for enhancing LD by molecular modifications are discovered, and the first exciton gate is experimentally and theoretically demonstrated. Generation of polarons from exciton dissociation represents a second phase of energy migration in OPVs that remains understudied. Current approaches are capable of measuring the rate of charge carrier recombination only at open-circuit. To enable a better understanding of polaron dynamics in thin films, two new approaches are presented which are capable of measuring both the charge carrier recombination and transit rates at any OPV operating voltage. These techniques pave the way for a more complete understanding of charge carrier kinetics in molecular thin films.

Inapplicability of small-polaron model for the explanation of infrared absorption spectrum in acetanilide.

Science.gov (United States)

Zeković, Slobodan; Ivić, Zoran

2009-01-01

The applicability of small-polaron model for the interpretation of infrared absorption spectrum in acetanilide has been critically reexamined. It is shown that the energy difference between the normal and anomalous peak, calculated by means of small-polaron theory, displays pronounced temperature dependence which is in drastic contradiction with experiment. It is demonstrated that self-trapped states, which are recently suggested to explain theoretically the experimental absorption spectrum in protein, cannot cause the appearance of the peaks in absorption spectrum for acetanilide.

Time Domain View of Liquid-like Screening and Large Polaron Formation in Lead Halide Perovskites

Science.gov (United States)

Joshi, Prakriti Pradhan; Miyata, Kiyoshi; Trinh, M. Tuan; Zhu, Xiaoyang

The structural softness and dynamic disorder of lead halide perovskites contributes to their remarkable optoelectronic properties through efficient charge screening and large polaron formation. Here we provide a direct time-domain view of the liquid-like structural dynamics and polaron formation in single crystal CH3NH3PbBr3 and CsPbBr3 using femtosecond optical Kerr effect spectroscopy in conjunction with transient reflectance spectroscopy. We investigate structural dynamics as function of pump energy, which enables us to examine the dynamics in the absence and presence of charge carriers. In the absence of charge carriers, structural dynamics are dominated by over-damped picosecond motions of the inorganic PbBr3- sub-lattice and these motions are strongly coupled to band-gap electronic transitions. Carrier injection from across-gap optical excitation triggers additional 0.26 ps dynamics in CH3NH3PbBr3 that can be attributed to the formation of large polarons. In comparison, large polaron formation is slower in CsPbBr3 with a time constant of 0.6 ps. We discuss how such dynamic screening protects charge carriers in lead halide perovskites. US Department of Energy, Office of Science - Basic Energy Sciences.

Structural correlations in the generation of polaron pairs in low-bandgap polymers for photovoltaics

Science.gov (United States)

Tautz, Raphael; da Como, Enrico; Limmer, Thomas; Feldmann, Jochen; Egelhaaf, Hans-Joachim; von Hauff, Elizabeth; Lemaur, Vincent; Beljonne, David; Yilmaz, Seyfullah; Dumsch, Ines; Allard, Sybille; Scherf, Ullrich

2012-07-01

Polymeric semiconductors are materials where unique optical and electronic properties often originate from a tailored chemical structure. This allows for synthesizing conjugated macromolecules with ad hoc functionalities for organic electronics. In photovoltaics, donor-acceptor co-polymers, with moieties of different electron affinity alternating on the chain, have attracted considerable interest. The low bandgap offers optimal light-harvesting characteristics and has inspired work towards record power conversion efficiencies. Here we show for the first time how the chemical structure of donor and acceptor moieties controls the photogeneration of polaron pairs. We show that co-polymers with strong acceptors show large yields of polaron pair formation up to 24% of the initial photoexcitations as compared with a homopolymer (η=8%). π-conjugated spacers, separating the donor and acceptor centre of masses, have the beneficial role of increasing the recombination time. The results provide useful input into the understanding of polaron pair photogeneration in low-bandgap co-polymers for photovoltaics.

The ground state energy of a bound polaron in the presence of a magnetic field

Energy Technology Data Exchange (ETDEWEB)

Zorkani, I [International Centre for Theoretical Physics, Trieste (Italy); Belhissi, R [Faculte des Sciences Dhar Mahraz, Fes (Morocco). Dept. de Physique

1995-09-01

A theoretical calculation for the ground state energy of a bound polaron as a function of the magnetic field is presented. The theory is based on a variational approach using a trial wave function proposed by Devreese et al. in the absence of the magnetic field. It was shown that his function is adequate for all electron - phonon coupling {alpha} and all parameter {gamma}{sub 0} which is the ratio between the L.O. phonon energy and the Colombian one. Analytical results are obtained in the weak coupling limit. (author). 27 refs, 4 figs, 1 tab.

Magnon Polarons in the Spin Seebeck Effect.

Science.gov (United States)

Kikkawa, Takashi; Shen, Ka; Flebus, Benedetta; Duine, Rembert A; Uchida, Ken-Ichi; Qiu, Zhiyong; Bauer, Gerrit E W; Saitoh, Eiji

2016-11-11

Sharp structures in the magnetic field-dependent spin Seebeck effect (SSE) voltages of Pt/Y_{3}Fe_{5}O_{12} at low temperatures are attributed to the magnon-phonon interaction. Experimental results are well reproduced by a Boltzmann theory that includes magnetoelastic coupling. The SSE anomalies coincide with magnetic fields tuned to the threshold of magnon-polaron formation. The effect gives insight into the relative quality of the lattice and magnetization dynamics.

Many-polaron theory for superconductivity and charge-density waves in a strongly coupled electron-phonon system with quasi-two-dimensionality: An interpolation between the adiabatic limit and the inverse-adiabatic limit

International Nuclear Information System (INIS)

Nasu, K.

1987-01-01

The phase diagram of a two-dimensional N-site N-electron system (N>>1) with site-diagonal electron-phonon (e-ph) coupling is studied in the context of polaron theory, so as to clarify the competition between the superconducting (SC) state and the charge-density wave (CDW) state. The Fermi surface of noninteracting electrons is assumed to be a complete circle with no nesting-type instability in the case of weak e-ph coupling, so as to focus on such a strong coupling that even the standard ''strong-coupling theory'' for superconductivity breaks down. Phonon clouds moving with electrons as well as a frozen phonon are taken into account by a variational method, combined with a mean-field theory. It covers the whole region of three basic parameters characterizing the system: the intersite transfer energy of electron T, the e-ph coupling energy S, and the phonon energy ω. The resultant phase diagram is given in a triangular coordinate space spanned by T, S, and ω. In the adiabatic region ω >(T,S) near the ω vertex of the triangle, on the other hand, each electron becomes a small polaron, and the SC state is always more stable than the CDW state, because the retardation effect is absent

Multiphonon contribution to the polaron formation in cuprates with strong electron correlations and strong electron-phonon interaction

Science.gov (United States)

Ovchinnikov, Sergey G.; Makarov, Ilya A.; Kozlov, Peter A.

2017-03-01

In this work dependences of the electron band structure and spectral function in the HTSC cuprates on magnitude of electron-phonon interaction (EPI) and temperature are investigated. We use three-band p-d model with diagonal and offdiagonal EPI with breathing and buckling phonon mode in the frameworks of polaronic version of the generalized tight binding (GTB) method. The polaronic quasiparticle excitation in the system with EPI within this approach is formed by a hybridization of the local multiphonon Franck-Condon excitations with lower and upper Hubbard bands. Increasing EPI leads to transfer of spectral weight to high-energy multiphonon excitations and broadening of the spectral function. Temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Increasing the temperature results in band structure reconstruction, spectral weight redistribution, broadening of the spectral function peak at the top of the valence band and the decreasing of the peak intensity. The effect of EPI with two phonon modes on the polaron spectral function is discussed.

Soliton and polaron generation in polyacetylene

International Nuclear Information System (INIS)

Su, Zhao-bin; Yu, Lu.

1984-07-01

The nonradiative decay of an e-h pair into soliton pair and that of an electron (hole) into polaron as well as the photoproduction of soliton pairs are considered using the lattice relaxation theory of multiphonon processes generalized to include the self-consistency of the multi-electron states with the lattice symmetry breaking. The selection rule which forbids the direct process of photogeneration for neutral pair is derived from the symmetry arguments. The branching ratio of the photogenerated neutral to charged soliton pairs is estimated. The recent related experiments are discussed. (author)

Polaron-Driven Surface Reconstructions

Directory of Open Access Journals (Sweden)

Michele Reticcioli

2017-09-01

Full Text Available Geometric and electronic surface reconstructions determine the physical and chemical properties of surfaces and, consequently, their functionality in applications. The reconstruction of a surface minimizes its surface free energy in otherwise thermodynamically unstable situations, typically caused by dangling bonds, lattice stress, or a divergent surface potential, and it is achieved by a cooperative modification of the atomic and electronic structure. Here, we combined first-principles calculations and surface techniques (scanning tunneling microscopy, non-contact atomic force microscopy, scanning tunneling spectroscopy to report that the repulsion between negatively charged polaronic quasiparticles, formed by the interaction between excess electrons and the lattice phonon field, plays a key role in surface reconstructions. As a paradigmatic example, we explain the (1×1 to (1×2 transition in rutile TiO_{2}(110.

Impact of morphology on polaron delocalization in a semicrystalline conjugated polymer

KAUST Repository

Steyrleuthner, Robert

2016-12-20

We investigate the delocalization of holes in the semicrystalline conjugated polymer poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) (PBTTT) by directly measuring the hyperfine coupling between photogenerated polarons and bound nuclear spins using electron nuclear double resonance spectroscopy. An extrapolation of the corresponding oligomer spectra reveals that charges tend to delocalize over 4.0-4.8 nm with delocalization strongly dependent on molecular order and crystallinity of the PBTTT polymer thin films. Density functional theory calculations of hyperfine couplings confirm that long-range corrected functionals appropriately describe the change in coupling strength with increasing oligomer size and agree well with the experimentally measured polymer limit. Our discussion presents general guidelines illustrating the various pitfalls and opportunities when deducing polaron localization lengths from hyperfine coupling spectra of conjugated polymers.

Influence of quasi-particle density over polaron mobility in armchair graphene nanoribbons.

Science.gov (United States)

Silva, Gesiel Gomes; da Cunha, Wiliam Ferreira; de Sousa Junior, Rafael Timóteo; Almeida Fonseca, Antonio Luciano; Ribeiro Júnior, Luiz Antônio; E Silva, Geraldo Magela

2018-06-20

An important aspect concerning the performance of armchair graphene nanoribbons (AGNRs) as materials for conceiving electronic devices is related to the mobility of charge carriers in these systems. When several polarons are considered in the system, a quasi-particle wave function can be affected by that of its neighbor provided the two are close enough. As the overlap may affect the transport of the carrier, the question concerning how the density of polarons affect its mobility arises. In this work, we investigate such dependence for semiconducting AGNRs in the scope of nonadiabatic molecular dynamics. Our results unambiguously show an impact of the density on both the stability and average velocity of the quasi-particles. We have found a phase transition between regimes where increasing density stops inhibiting and starts promoting mobility; densities higher than 7 polarons per 45 Å present increasing mean velocity with increasing density. We have also established three different regions relating electric field and average velocity. For the lowest electric field regime, surpassing the aforementioned threshold results in overcoming the 0.3 Å fs-1 limit, thus representing a transition between subsonic and supersonic regimes. For the highest of the electric fields, density effects alone are responsible for a stunning difference of 1.5 Å fs-1 in the mean carrier velocity.

Formation time of a small electron polaron in LiNbO3: measurements and interpretation

International Nuclear Information System (INIS)

Qiu, Yong; Ucer, K.B.; Williams, R.T.

2005-01-01

Infrared optical absorption attributed to the electron polaron on a non-defective site in LiNbO 3 and KNbO 3 has previously been observed using pulsed electron and laser techniques. With subpicosecond laser excitation and spectroscopy, it is possible to measure a rise time of the infrared absorption, which may be interpreted as the time for a band-state conduction electron to cool by phonon scattering, collapse its wavefunction around a site made attractive by thermal disorder, and relax vibrationally to a small polaron. This is a process which is of fundamental interest, involving dynamics of self-localization from band states and vibrational relaxation of a localized electron in an otherwise non-defective lattice. For example, Gavartin and Shluger have recently performed calculations on the role of thermal fluctuations in self-trapping of holes in MgO. We report initial measurements on the rise time of infrared absorption at 0.95 eV (Mg-perturbed polaron) in LiNbO 3 :Mg to be τ R ∼230 fs at T=20 K and τ R ∼110 fs at T=296 K. We discuss 2 stages that together may account for the delay and its temperature dependence: free-electron cooling and vibrational relaxation of a ''defect'' (small polaron) in a host. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Spectrally resolved hyperfine interactions between polaron and nuclear spins in organic light emitting diodes: Magneto-electroluminescence studies

Energy Technology Data Exchange (ETDEWEB)

Crooker, S. A.; Kelley, M. R.; Martinez, N. J. D.; Nie, W.; Mohite, A.; Nayyar, I. H.; Tretiak, S.; Smith, D. L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Liu, F.; Ruden, P. P. [University of Minnesota, Minneapolis, Minnesota 55455 (United States)

2014-10-13

We use spectrally resolved magneto-electroluminescence (EL) measurements to study the energy dependence of hyperfine interactions between polaron and nuclear spins in organic light-emitting diodes. Using layered devices that generate bright exciplex emission, we show that the increase in EL emission intensity I due to small applied magnetic fields of order 100 mT is markedly larger at the high-energy blue end of the EL spectrum (ΔI/I ∼ 11%) than at the low-energy red end (∼4%). Concurrently, the widths of the magneto-EL curves increase monotonically from blue to red, revealing an increasing hyperfine coupling between polarons and nuclei and directly providing insight into the energy-dependent spatial extent and localization of polarons.

Excitonic and Polaronic Properties of 2D Hybrid Organic–Inorganic Perovskites

KAUST Repository

Yin, Jun; Li, Hong; Cortecchia, Daniele; Soci, Cesare; Bredas, Jean-Luc

2017-01-01

calculations including corrections due to spin orbit couplings and electron hole interactions, a computationally intensive molecular cluster approach is exploited to describe the excitonic and polaronic properties of these 2D perovskites at the atomistic level

Impact of morphology on polaron delocalization in a semicrystalline conjugated polymer

KAUST Repository

Steyrleuthner, Robert; Zhang, Yuexing; Zhang, Lei; Kraffert, Felix; Cherniawski, Benjamin P.; Bittl, Robert; Briseno, Alejandro L.; Bredas, Jean-Luc; Behrends, Jan

2016-01-01

We investigate the delocalization of holes in the semicrystalline conjugated polymer poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) (PBTTT) by directly measuring the hyperfine coupling between photogenerated polarons and bound nuclear

The role of hydrostatic pressure and temperature on bound polaron in semiconductor quantum dot

International Nuclear Information System (INIS)

El Moussaouy, A.; Ouchani, N.

2014-01-01

We studied theoretically the effects of hydrostatic pressure and temperature on the binding energy of shallow hydrogenic impurity in a cylindrical quantum dot (QD) using a variational approach within the effective mass approximation. The hydrostatic stress was applied along the QD growth axis. The interactions between the charge carriers and confined longitudinal optical (LO) phonon modes are taken into account. The numerical computation for GaAs/Ga 1−x Al x As QD has shown that the binding energy with and without the polaronic correction depends on the location of the impurity and the pressure effect and it is more pronounced for impurities in the QD center. Both the binding energy and the polaronic contribution increase linearly with increasing stress. For each pressure value, these energies are also found to decrease as the temperature increases. The results obtained show that in experimental studies of optical and electronic properties of QDs, the effects of pressure, temperature and polaronic correction on donor impurity binding energy should be taken into consideration

DFT +U Modeling of Hole Polarons in Organic Lead Halide Perovskites

Science.gov (United States)

Welch, Eric; Erhart, Paul; Scolfaro, Luisa; Zakhidov, Alex

Due to the ever present drive towards improved efficiencies in solar cell technology, new and improved materials are emerging rapidly. Organic halide perovskites are a promising prospect, yet a fundamental understanding of the organic perovskite structure and electronic properties is missing. Particularly, explanations of certain physical phenomena, specifically a low recombination rate and high mobility of charge carriers still remain controversial. We theoretically investigate possible formation of hole polarons adopting methodology used for oxide perovskites. The perovskite studied here is the ABX3structure, with A being an organic cation, B lead and C a halogen; the combinations studied allow for A1,xA2 , 1 - xBX1,xX2 , 3 - xwhere the alloy convention is used to show mixtures of the organic cations and/or the halogens. Two organic cations, methylammonium and formamidinium, and three halogens, iodine, chlorine and bromine are studied. Electronic structures and polaron behavior is studied through first principle density functional theory (DFT) calculations using the Vienna Ab Initio Simulation Package (VASP). Local density approximation (LDA) pseudopotentials are used and a +U Hubbard correction of 8 eV is added; this method was shown to work with oxide perovskites. It is shown that a localized state is realized with the Hubbard correction in systems with an electron removed, residing in the band gap of each different structure. Thus, hole polarons are expected to be seen in these perovskites.

Hall effect driven by non-collinear magnetic polarons in diluted magnetic semiconductors

Science.gov (United States)

Denisov, K. S.; Averkiev, N. S.

2018-04-01

In this letter, we develop the theory of Hall effect driven by non-collinear magnetic textures (topological Hall effect—THE) in diluted magnetic semiconductors (DMSs). We show that a carrier spin-orbit interaction induces a chiral magnetic ordering inside a bound magnetic polaron (BMP). The inner structure of non-collinear BMP is controlled by the type of spin-orbit coupling, allowing us to create skyrmion- (Rashba) or antiskyrmion-like (Dresselhaus) configurations. The asymmetric scattering of itinerant carriers on polarons leads to the Hall response which exists in weak external magnetic fields and at low temperatures. We point out that DMS-based systems allow one to investigate experimentally the dependence of THE both on a carrier spin polarization and on a non-collinear magnetic texture shape.

Small polaron formation and motion of holes in a-SiO2

International Nuclear Information System (INIS)

Hughes, R.C.; Emin, D.

1978-01-01

X-ray generated holes in SiO 2 are observed to be reduced to low mobility in times of the order of vibrational periods, 10 -12 s. The temperature dependence, electric field dependence and magnitude of this mobility for times up to about 100 ns are consistent with those of hole-like small polarons. The circumstances which favor the occurrence of rapid small polaron formation are a large effective mass (narrow valence band), the presence of the long-range hole-lattice interaction characteristic of an ionic material and the presence of disorder, all of which are found in amorphous SiO 2 . An alternative explanation involving trapping requires an extremely large localized state density and fortuitous temperature and field dependences of the hopping rates

A new DFT approach to model small polarons in oxides with proper account for long-range polarization

Science.gov (United States)

Kokott, Sebastian; Levchenko, Sergey V.; Scheffler, Matthias; Theory Department Team

In this work, we address two important challenges in the DFT description of small polarons (excess charges localized within one unit cell): sensitivity to the errors in exchange-correlation (XC) treatment and finite-size effects in supercell calculations. The polaron properties are obtained using a modified neutral potential-energy surface (PES). Using the hybrid HSE functional and considering the whole range 0 Deutsche Forschungsgemeinschaft).

MFV Reductions of MSSM Parameter Space

CERN Document Server

AbdusSalam, S.S.; Quevedo, F.

2015-01-01

The 100+ free parameters of the minimal supersymmetric standard model (MSSM) make it computationally difficult to compare systematically with data, motivating the study of specific parameter reductions such as the cMSSM and pMSSM. Here we instead study the reductions of parameter space implied by using minimal flavour violation (MFV) to organise the R-parity conserving MSSM, with a view towards systematically building in constraints on flavour-violating physics. Within this framework the space of parameters is reduced by expanding soft supersymmetry-breaking terms in powers of the Cabibbo angle, leading to a 24-, 30- or 42-parameter framework (which we call MSSM-24, MSSM-30, and MSSM-42 respectively), depending on the order kept in the expansion. We provide a Bayesian global fit to data of the MSSM-30 parameter set to show that this is manageable with current tools. We compare the MFV reductions to the 19-parameter pMSSM choice and show that the pMSSM is not contained as a subset. The MSSM-30 analysis favours...

Charge distributions in transverse coordinate space and in impact parameter space

Energy Technology Data Exchange (ETDEWEB)

Hwang, Dae Sung [Department of Physics, Sejong University, Seoul 143-747 (Korea, Republic of)], E-mail: dshwang@slac.stanford.edu; Kim, Dong Soo [Department of Physics, Kangnung National University, Kangnung 210-702 (Korea, Republic of); Kim, Jonghyun [Department of Physics, Sejong University, Seoul 143-747 (Korea, Republic of)

2008-11-27

We study the charge distributions of the valence quarks inside nucleon in the transverse coordinate space, which is conjugate to the transverse momentum space. We compare the results with the charge distributions in the impact parameter space.

Charge distributions in transverse coordinate space and in impact parameter space

OpenAIRE

Hwang, Dae Sung; Kim, Dong Soo; Kim, Jonghyun

2008-01-01

We study the charge distributions of the valence quarks inside nucleon in the transverse coordinate space, which is conjugate to the transverse momentum space. We compare the results with the charge distributions in the impact parameter space.

Effects of Polaron and Quantum Confinement on the Nonlinear Optical Properties in a GaAs/Ga1-xAlxAs Quantum Well Wire

Directory of Open Access Journals (Sweden)

L. Caroline Sugirtham

2014-01-01

Full Text Available The binding energy of a polaron confined in a GaAs/Ga1-xAlxAs quantum well wire is calculated within the framework of the variational technique and Lee-Low Pines approach. The polaron-induced photoionization cross section as a function of normalized photon energy for a on-centre donor impurity in the quantum wire is investigated. The oscillator strength with the geometrical effect is studied taking into account the polaron effects in a GaAs/Ga0.8Al0.2As quantum well wire. The effect of polaron on the third-order susceptibility of third harmonic generation is studied. Our theoretical results are shown to be in good agreement with previous investigations.

Transport and ordering of polarons in CER manganites PrCaMnO

International Nuclear Information System (INIS)

Schramm, S; Hoffmann, J; Jooss, Ch

2008-01-01

The temperature-dependent resistivity and the colossal resistance effect induced by strong electric fields of the small-band Pr 1-x Ca x MnO 3 (PCMO) manganites are analysed with respect to the influence of the Ca doping, post-annealing, the prehistory of the electric stimulation, and the physical dimensions of the sample. Despite the phase separation between charge and orbital ordered and disordered phases, PCMO reveals the properties of a homogeneous medium with a conductivity governed by the hopping of small polarons if the electric field is not too strong. In contrast, high electric fields induce a structural transition which gives rise to a glassy behaviour in the transient regime. In the low resistance state the small activation energy of charge carrier hopping implies a transition to large polaron hopping

Effect of defects on the small polaron formation and transport properties of hematite from first-principles calculations.

Science.gov (United States)

Smart, Tyler J; Ping, Yuan

2017-10-04

Hematite (α-Fe 2 O 3 ) is a promising candidate as a photoanode material for solar-to-fuel conversion due to its favorable band gap for visible light absorption, its stability in an aqueous environment and its relatively low cost in comparison to other prospective materials. However, the small polaron transport nature in α-Fe 2 O 3 results in low carrier mobility and conductivity, significantly lowering its efficiency from the theoretical limit. Experimentally, it has been found that the incorporation of oxygen vacancies and other dopants, such as Sn, into the material appreciably enhances its photo-to-current efficiency. Yet no quantitative explanation has been provided to understand the role of oxygen vacancy or Sn-doping in hematite. We employed density functional theory to probe the small polaron formation in oxygen deficient hematite, N-doped as well as Sn-doped hematite. We computed the charged defect formation energies, the small polaron formation energy and hopping activation energies to understand the effect of defects on carrier concentration and mobility. This work provides us with a fundamental understanding regarding the role of defects on small polaron formation and transport properties in hematite, offering key insights into the design of new dopants to further improve the efficiency of transition metal oxides for solar-to-fuel conversion.

Theory of super-para-electric large polaron for gigantic photo-enhancements of dielectric constant and electronic conductivity in SrTiO3

International Nuclear Information System (INIS)

Yu Qiu; Nasu, Keiichiro

2005-01-01

In connection with the recent experimental discoveries on gigantic photoenhancements of the electronic conductivity and the quasi-static dielectric susceptibility in SrTiO 3 , we theoretically study a photo-generation mechanism of a charged ferroelectric domain in this quantum dielectric. The photo-generated electron, being quite itinerant in the 3d band of Ti 4+ , is assumed to couple weakly but quadratically with soft-anharmonic T 1u phonons in this quantum dielectric. The photo-generated electron is also assumed to couple strongly but linearly with the breathing type high energy phonons. Using a tight binding model for electron, we will show that these two types of electron-phonon couplings result in two types of polarons, a 'super-para-electric (SPE) large polaron' with a quasi-global parity violation, and an 'off-centre type self-trapped polaron' with only a local parity violation. We will also show that this SPE large polaron is nothing else but a singly charged (e - ) and conductive ferroelectric (or SPE) domain with a quasi macroscopic size. This polaron or domain is also shown to have a high mobility and a large quasi-static dielectric susceptibility

Polaron effects on nonlinear optical rectification in asymmetrical Gaussian potential quantum wells with applied electric fields

International Nuclear Information System (INIS)

Wu, Jinghe; Guo, Kangxian; Liu, Guanghui

2014-01-01

Polaron effects on nonlinear optical rectification in asymmetrical Gaussian potential quantum wells are studied by the effective mass approximation and the perturbation theory. The numerical results show that nonlinear optical rectification coefficients are strongly dependent on the barrier hight V 0 of the Gaussian potential quantum wells, the range L of the confinement potential and the electric field F. Besides, the numerical results show that no matter how V 0 , L and F change, taking into consideration polaron effects, the optical rectification coefficients χ 0 (2) get greatly enhanced.

Shallow trapping vs. deep polarons in a hybrid lead halide perovskite, CH3NH3PbI3.

Science.gov (United States)

Kang, Byungkyun; Biswas, Koushik

2017-10-18

There has been considerable speculation over the nature of charge carriers in organic-inorganic hybrid perovskites, i.e., whether they are free and band-like, or they are prone to self-trapping via short range deformation potentials. Unusually long minority-carrier diffusion lengths and moderate-to-low mobilities, together with relatively few deep defects add to their intrigue. Here we implement density functional methods to investigate the room-temperature, tetragonal phase of CH 3 NH 3 PbI 3 . We compare charge localization behavior at shallow levels and associated lattice relaxation versus those at deep polaronic states. The shallow level originates from screened Coulomb interaction between the perturbed host and an excited electron or hole. The host lattice has a tendency towards forming these shallow traps where the electron or hole is localized not too far from the band edge. In contrast, there is a considerable potential barrier that must be overcome in order to initiate polaronic hole trapping. The formation of a hole polaron (I 2 - center) involves strong lattice relaxation, including large off-center displacement of the organic cation, CH 3 NH 3 + . This type of deep polaron is energetically unfavorable, and active shallow traps are expected to shape the carrier dynamics in this material.

Parameter space of experimental chaotic circuits with high-precision control parameters

Energy Technology Data Exchange (ETDEWEB)

Sousa, Francisco F. G. de; Rubinger, Rero M. [Instituto de Física e Química, Universidade Federal de Itajubá, Itajubá, MG (Brazil); Sartorelli, José C., E-mail: sartorelli@if.usp.br [Universidade de São Paulo, São Paulo, SP (Brazil); Albuquerque, Holokx A. [Departamento de Física, Universidade do Estado de Santa Catarina, Joinville, SC (Brazil); Baptista, Murilo S. [Institute of Complex Systems and Mathematical Biology, SUPA, University of Aberdeen, Aberdeen (United Kingdom)

2016-08-15

We report high-resolution measurements that experimentally confirm a spiral cascade structure and a scaling relationship of shrimps in the Chua's circuit. Circuits constructed using this component allow for a comprehensive characterization of the circuit behaviors through high resolution parameter spaces. To illustrate the power of our technological development for the creation and the study of chaotic circuits, we constructed a Chua circuit and study its high resolution parameter space. The reliability and stability of the designed component allowed us to obtain data for long periods of time (∼21 weeks), a data set from which an accurate estimation of Lyapunov exponents for the circuit characterization was possible. Moreover, this data, rigorously characterized by the Lyapunov exponents, allows us to reassure experimentally that the shrimps, stable islands embedded in a domain of chaos in the parameter spaces, can be observed in the laboratory. Finally, we confirm that their sizes decay exponentially with the period of the attractor, a result expected to be found in maps of the quadratic family.

The effects of optical phonon on the binding energy of bound polaron in a wurtzite ZnO/MgxZn1−xO quantum well

International Nuclear Information System (INIS)

Zhao, Feng-Qi; Guo, Zi-Zheng; Zhu, Jun

2014-01-01

An improved Lee-Low-Pines intermediate coupling method is used to study the energies and binding energies of bound polarons in a wurtzite ZnO/Mg x Zn 1−x O quantum well. The contributions from different branches of long-wave optical phonons, i.e., confined optical phonons, interface optical phonons, and half-space optical phonons are considered. In addition to electron-phonon interaction, the impurity-phonon interaction, and the anisotropy of material parameters, such as phonon frequency, electron effective mass, and dielectric constant, are also included in our computation. Ground-state energies, binding energies and detailed phonon contributions from various phonons as functions of well width, impurity position and composition are presented. Our result suggests that total phonon contribution to ground state and binding energies in the studied wurtzite ZnO/Mg 0.3 Zn 0.7 O quantum wells varies between 28–23 meV and 62–45 meV, respectively, which are much larger than the corresponding values (about 3.2–1.8 meV and 1.6–0.3 meV) in GaAs/Al 0.3 Ga 0.7 As quantum wells. For a narrower quantum well, the phonon contribution mainly comes from interface and half-space phonons, for a wider quantum well, most of phonon contribution originates from confined phonons. The contribution from all the phonon modes to binding energies increases slowly either when impurity moves far away from the well center in the z direction or with the increase in magnesium composition (x). It is found that different phonons have different influences on the binding energies of bound polarons. Furthermore, the phonon contributions to binding energies as functions of well width, impurity position, and composition are very different from one another. In general, the electron-optical phonon interaction and the impurity center-optical phonon interaction play an important role in electronic states of ZnO-based quantum wells and cannot be neglected.

Decay of Polarons and Molecules in a Strongly Polarized Fermi Gas

DEFF Research Database (Denmark)

Bruun, Georg; Massignan, P.

2010-01-01

, and that it vanishes much faster than the energy difference between the two states, thereby confirming the first order nature of the polaron-molecule transition. In the regime where each state is metastable, we find quasiparticle lifetimes which are much longer than what is expected for a usual Fermi liquid. Our...

Comparative analysis of magnetic resonance in the polaron pair recombination and the triplet exciton-polaron quenching models

Science.gov (United States)

Mkhitaryan, V. V.; Danilović, D.; Hippola, C.; Raikh, M. E.; Shinar, J.

2018-01-01

We present a comparative theoretical study of magnetic resonance within the polaron pair recombination (PPR) and the triplet exciton-polaron quenching (TPQ) models. Both models have been invoked to interpret the photoluminescence detected magnetic resonance (PLDMR) results in π -conjugated materials and devices. We show that resonance line shapes calculated within the two models differ dramatically in several regards. First, in the PPR model, the line shape exhibits unusual behavior upon increasing the microwave power: it evolves from fully positive at weak power to fully negative at strong power. In contrast, in the TPQ model, the PLDMR is completely positive, showing a monotonic saturation. Second, the two models predict different dependencies of the resonance signal on the photoexcitation power, PL. At low PL, the resonance amplitude Δ I /I is ∝PL within the PPR model, while it is ∝PL2 crossing over to PL3 within the TPQ model. On the physical level, the differences stem from different underlying spin dynamics. Most prominently, a negative resonance within the PPR model has its origin in the microwave-induced spin-Dicke effect, leading to the resonant quenching of photoluminescence. The spin-Dicke effect results from the spin-selective recombination, leading to a highly correlated precession of the on-resonance pair partners under the strong microwave power. This effect is not relevant for TPQ mechanism, where the strong zero-field splitting renders the majority of triplets off resonance. On the technical level, the analytical evaluation of the line shapes for the two models is enabled by the fact that these shapes can be expressed via the eigenvalues of a complex Hamiltonian. This bypasses the necessity of solving the much larger complex linear system of the stochastic Liouville equations. Our findings pave the way towards a reliable discrimination between the two mechanisms via cw PLDMR.

Implications of the formation of small polarons in Li2O2 for Li-air batteries

Science.gov (United States)

Kang, Joongoo; Jung, Yoon Seok; Wei, Su-Huai; Dillon, Anne C.

2012-01-01

Lithium-air batteries (LABs) are an intriguing next-generation technology due to their high theoretical energy density of ˜11 kWh/kg. However, LABs are hindered by both poor rate capability and significant polarization in cell voltage, primarily due to the formation of Li2O2 in the air cathode. Here, by employing hybrid density functional theory, we show that the formation of small polarons in Li2O2 limits electron transport. Consequently, the low electron mobility μ = 10-10-10-9 cm2/V s contributes to both the poor rate capability and the polarization that limit the LAB power and energy densities. The self-trapping of electrons in the small polarons arises from the molecular nature of the conduction band states of Li2O2 and the strong spin polarization of the O 2p state. Our understanding of the polaronic electron transport in Li2O2 suggests that designing alternative carrier conduction paths for the cathode reaction could significantly improve the performance of LABs at high current densities.

Optical Characterization of the Hole Polaron in a Series of Diketopyrrolopyrrole Polymers Used for Organic Photovoltaics

Directory of Open Access Journals (Sweden)

Evan L. Williams

2014-12-01

Full Text Available A strategy that is often used for designing low band gap polymers involves the incorporation of electron-rich (donor and electron-deficient (acceptor conjugated segments within the polymer backbone. In this paper we investigate such a series of Diketopyrrolopyrrole (DPP-based co-polymers. The co-polymers consisted of a DPP unit attached to a phenylene, naphthalene, or anthracene unit. Additionally, polymers utilizing either the thiophene-flanked DPP or the furan-flanked DPP units paired with the naphthalene comonomer were compared. As these polymers have been used as donor materials and subsequent hole transporting materials in organic solar cells, we are specifically interested in characterizing the optical absorption of the hole polaron of these DPP based copolymers. We employ chemical doping, electrochemical doping, and photoinduced absorption (PIA studies to probe the hole polaron absorption spectra. While some donor-acceptor polymers have shown an appreciable capacity to generate free charge carriers upon photoexcitation, no polaron signal was observed in the PIA spectrum of the polymers in this study. The relations between molecular structure and optical properties are discussed.

Two Impurities in a Bose-Einstein Condensate: From Yukawa to Efimov Attracted Polarons

Science.gov (United States)

Naidon, Pascal

2018-04-01

The well-known Yukawa and Efimov potentials are two different mediated interaction potentials. The first one arises in quantum field theory from the exchange of virtual particles. The second one is mediated by a real particle resonantly interacting with two other particles. This Letter shows how two impurities immersed in a Bose-Einstein condensate can exhibit both phenomena. For a weak attraction with the condensate, the two impurities form two polarons that interact through a weak Yukawa attraction mediated by virtual excitations. For a resonant attraction with the condensate, the exchanged excitation becomes a real boson and the mediated interaction changes to a strong Efimov attraction that can bind the two polarons. The resulting bipolarons turn into in-medium Efimov trimers made of the two impurities and one boson. Evidence of this physics could be seen in ultracold mixtures of atoms.

Singlet and triplet polaron relaxation in doubly charged self-assembled quantum dots

International Nuclear Information System (INIS)

Grange, T; Zibik, E A; Ferreira, R; Bastard, G; Carpenter, B A; Phillips, P J; Stehr, D; Winnerl, S; Helm, M; Steer, M J; Hopkinson, M; Cockburn, J W; Skolnick, M S; Wilson, L R

2007-01-01

Polaron relaxation in self-assembled InAs/GaAs quantum dot samples containing 2 electrons per dot is studied using far-infrared, time-resolved pump-probe measurements for transitions between the s-like ground and p-like first excited conduction band states. Spin-flip transitions between singlet and triplet states are observed experimentally in the decay of the absorption bleaching, which shows a clear biexponential dependence. The initial fast decay (∼30 ps) is associated with the singlet polaron decay, while the decay component with the longer time constant (∼5 ns) corresponds to the excited state triplet lifetime. The results are explained by considering the intrinsic Dresselhaus spin-orbit interaction, which induces spin-flip transitions by acoustic phonon emission or phonon anharmonicity. We have calculated the spin-flip decay times, and good agreement is obtained between the experiment and the simulation of the pump-probe signal. Our results demonstrate the importance of spin-mixing effects for intraband energy relaxation in InAs/GaAs quantum dots

Madelung and Hubbard interactions in polaron band model of doped organic semiconductors

Science.gov (United States)

Png, Rui-Qi; Ang, Mervin C.Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K.H.

2016-01-01

The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π–π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine–fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355

Quantitative measurements of magnetic polaron binding on acceptors in CdMnTe alloys

Science.gov (United States)

Nhung, Tran Hong; Planel, R.

1983-03-01

The acceptor binding energy is measured as a function of Temperature and composition in Cd1-x Mnx Te alloys, by time resolved spectroscopy. The Bound magnetic polaron effect is measured and compared with a theory accouting for magnetic saturation and fluctuations.

Effects of system-bath coupling on a photosynthetic heat engine: A polaron master-equation approach

Science.gov (United States)

Qin, M.; Shen, H. Z.; Zhao, X. L.; Yi, X. X.

2017-07-01

Stimulated by suggestions of quantum effects in energy transport in photosynthesis, the fundamental principles responsible for the near-unit efficiency of the conversion of solar to chemical energy became active again in recent years. Under natural conditions, the formation of stable charge-separation states in bacteria and plant reaction centers is strongly affected by the coupling of electronic degrees of freedom to a wide range of vibrational motions. These inspire and motivate us to explore the effects of the environment on the operation of such complexes. In this paper, we apply the polaron master equation, which offers the possibilities to interpolate between weak and strong system-bath coupling, to study how system-bath couplings affect the exciton-transfer processes in the Photosystem II reaction center described by a quantum heat engine (QHE) model over a wide parameter range. The effects of bath correlation and temperature, together with the combined effects of these factors are also discussed in detail. We interpret these results in terms of noise-assisted transport effect and dynamical localization, which correspond to two mechanisms underpinning the transfer process in photosynthetic complexes: One is resonance energy transfer and the other is the dynamical localization effect captured by the polaron master equation. The effects of system-bath coupling and bath correlation are incorporated in the effective system-bath coupling strength determining whether noise-assisted transport effect or dynamical localization dominates the dynamics and temperature modulates the balance of the two mechanisms. Furthermore, these two mechanisms can be attributed to one physical origin: bath-induced fluctuations. The two mechanisms are manifestations of the dual role played by bath-induced fluctuations depending on the range of parameters. The origin and role of coherence are also discussed. It is the constructive interplay between noise and coherent dynamics, rather

Polaron Self-localization in White-light Emitting Hybrid Perovskites

OpenAIRE

Cortecchia, Daniele; Yin, Jun; Bruno, Annalisa; Lo, Shu-Zee Alencious; Gurzadyan, Gagik G.; Mhaisalkar, Subodh; Brédas, Jean-Luc; Soci, Cesare

2016-01-01

Two-dimensional (2D) perovskites with general formula $APbX_4$ are attracting increasing interest as solution processable, white-light emissive materials. Recent studies have shown that their broadband emission is related to the formation of intra-gap color centers; however, the nature and dynamics of the emissive species have remained elusive. Here we show that the broadband photoluminescence of the 2D perovskites $(EDBE)PbCl_4$ and $(EDBE)PbBr_4$ stems from the localization of small polaron...

Peltier heat of a small polaron in a magnetic semiconductor

International Nuclear Information System (INIS)

Liu, N.H.; Emin, D.

1985-01-01

For the first time the heat transported with a small polaron in both antiferromagnetic and ferromagnetic semiconductors is calculated. This heat, the Peltier heat, π, is obtained from the change of the entropy of the total system upon introduction of a charge carrier. We explicitly consider both the intrasite and intersite exchange interactions between a small polaron and the interacting spins of a spin-1/2 magnet. There are two competing magnetic contributions to the Peltier heat. First, adding the carrier increases the spin entropy of the system. This provides a positive contribution to π. Second, the exchange between the carrier and the sites about it enhances the exchange binding between these sites. This reduces the energetically allowable spin configurations and provides a negative contribution to π. At extremely high temperatures when kT exceeds the intrasite exchange energy, the first effect dominates. Then π is simply augmented by kT ln 2. However, well below the magnetic transition temperature the second effect dominates. In the experimentally accessible range between these limits both effects are comparable and sizable. The net magnetic contribution to the Peltier heat rises with temperature. Thus, a carrier's interactions with its magnetic environment produces a significant and distinctive contribution to its Peltier heat

Peltier heat of a small polaron in a magnetic semiconductor

International Nuclear Information System (INIS)

Liu, N.L.H.; Emin, D.

1984-01-01

The heat transported with a small polaron in both antiferromagnetic and ferromagnetic semiconductors is calculated. This heat, the Peltier heat, π, is obtained from the change of the entropy of the total system upon introduction of a charge carrier. We explicitly consider both the intrasite and intersite exchange interactions between a small polaron and the interacting spins of a spin-1/2 magnet. There are two competing magnetic contributions to the Peltier heat. First, adding the carrier increases the spin entropy of the system. This provides a positive contribution to π. Second, the exchange between the carrier and the sites about it enhances the exchange binding between these sites. This reduces the energetically allowable spin configurations and provides a negative contribution to π. At extremely high temperature when kT exceeds the intrasite exchange energy, the first effect dominates. Then π is simply augmented by kTln2. However, well below the magnetic transition temperature the second effect dominates. In the experimentally accessible range between these limits both effects are comparable and sizable. The net magnetic contribution to the Peltier heat rises with temperature. Thus, a carrier's interactions with its magnetic environment produces a significant and distinctive contribution to its Peltier heat

Generalized formula for electron emission taking account of the polaron effect

Science.gov (United States)

Barengolts, Yu A.; Beril, S. I.; Barengolts, S. A.

2018-01-01

A generalized formula is derived for the electron emission current as a function of temperature, field, and electron work function in a metal-dielectric system that takes account of the quantum nature of the image forces. In deriving the formula, the Fermi-Dirac distribution for electrons in a metal and the quantum potential of the image obtained in the context of electron polaron theory are used.

Dynamics of a neuron model in different two-dimensional parameter-spaces

International Nuclear Information System (INIS)

Rech, Paulo C.

2011-01-01

We report some two-dimensional parameter-space diagrams numerically obtained for the multi-parameter Hindmarsh-Rose neuron model. Several different parameter planes are considered, and we show that regardless of the combination of parameters, a typical scenario is preserved: for all choice of two parameters, the parameter-space presents a comb-shaped chaotic region immersed in a large periodic region. We also show that exist regions close these chaotic region, separated by the comb teeth, organized themselves in period-adding bifurcation cascades. - Research highlights: → We report parameter-spaces obtained for the Hindmarsh-Rose neuron model. → Regardless of the combination of parameters, a typical scenario is preserved. → The scenario presents a comb-shaped chaotic region immersed in a periodic region. → Periodic regions near the chaotic region are in period-adding bifurcation cascades.

Polaron variable range hopping in TiO2-δ(-0.04=<δ=<0.2) thin films

International Nuclear Information System (INIS)

Heluani, S.P.; Comedi, D.; Villafuerte, M.; Juarez, G.

2007-01-01

The mechanisms of electrical conduction in TiO 2-δ (-0.04= 2 +Ar gas atmospheres where changes in δ and film structure had been achieved by varying the O 2 flow rate and the substrate temperature. The electrical transport properties of these samples were investigated by measuring the conductivity as a function of temperature between 17K and room temperature. At the temperature range between 200 and 290K the best fit to the experimental data was obtained assuming a dependence characteristic of adiabatic variable range hopping. At lower temperature the activation energy for the conductivity tends to zero. The results suggest that the conduction mechanism is adiabatic small polaron hopping, which switches to conduction in a polaron band at low temperatures

Approaches to automatic parameter fitting in a microscopy image segmentation pipeline: An exploratory parameter space analysis.

Science.gov (United States)

Held, Christian; Nattkemper, Tim; Palmisano, Ralf; Wittenberg, Thomas

2013-01-01

Research and diagnosis in medicine and biology often require the assessment of a large amount of microscopy image data. Although on the one hand, digital pathology and new bioimaging technologies find their way into clinical practice and pharmaceutical research, some general methodological issues in automated image analysis are still open. In this study, we address the problem of fitting the parameters in a microscopy image segmentation pipeline. We propose to fit the parameters of the pipeline's modules with optimization algorithms, such as, genetic algorithms or coordinate descents, and show how visual exploration of the parameter space can help to identify sub-optimal parameter settings that need to be avoided. This is of significant help in the design of our automatic parameter fitting framework, which enables us to tune the pipeline for large sets of micrographs. The underlying parameter spaces pose a challenge for manual as well as automated parameter optimization, as the parameter spaces can show several local performance maxima. Hence, optimization strategies that are not able to jump out of local performance maxima, like the hill climbing algorithm, often result in a local maximum.

Approaches to automatic parameter fitting in a microscopy image segmentation pipeline: An exploratory parameter space analysis

Directory of Open Access Journals (Sweden)

Christian Held

2013-01-01

Full Text Available Introduction: Research and diagnosis in medicine and biology often require the assessment of a large amount of microscopy image data. Although on the one hand, digital pathology and new bioimaging technologies find their way into clinical practice and pharmaceutical research, some general methodological issues in automated image analysis are still open. Methods: In this study, we address the problem of fitting the parameters in a microscopy image segmentation pipeline. We propose to fit the parameters of the pipeline′s modules with optimization algorithms, such as, genetic algorithms or coordinate descents, and show how visual exploration of the parameter space can help to identify sub-optimal parameter settings that need to be avoided. Results: This is of significant help in the design of our automatic parameter fitting framework, which enables us to tune the pipeline for large sets of micrographs. Conclusion: The underlying parameter spaces pose a challenge for manual as well as automated parameter optimization, as the parameter spaces can show several local performance maxima. Hence, optimization strategies that are not able to jump out of local performance maxima, like the hill climbing algorithm, often result in a local maximum.

Second order approximation for optical polaron in the strong coupling case

International Nuclear Information System (INIS)

Bogolubov, N.N. Jr.

1993-11-01

Here we propose a method of construction second order approximation for ground state energy for class of model Hamiltonian with linear type interaction on Bose operators in strong coupling case. For the application of the above method we have considered polaron model and propose construction set of nonlinear differential equations for definition ground state energy in strong coupling case. We have considered also radial symmetry case. (author). 10 refs

Parameter-space metric of semicoherent searches for continuous gravitational waves

International Nuclear Information System (INIS)

Pletsch, Holger J.

2010-01-01

Continuous gravitational-wave (CW) signals such as emitted by spinning neutron stars are an important target class for current detectors. However, the enormous computational demand prohibits fully coherent broadband all-sky searches for prior unknown CW sources over wide ranges of parameter space and for yearlong observation times. More efficient hierarchical ''semicoherent'' search strategies divide the data into segments much shorter than one year, which are analyzed coherently; then detection statistics from different segments are combined incoherently. To optimally perform the incoherent combination, understanding of the underlying parameter-space structure is requisite. This problem is addressed here by using new coordinates on the parameter space, which yield the first analytical parameter-space metric for the incoherent combination step. This semicoherent metric applies to broadband all-sky surveys (also embedding directed searches at fixed sky position) for isolated CW sources. Furthermore, the additional metric resolution attained through the combination of segments is studied. From the search parameters (sky position, frequency, and frequency derivatives), solely the metric resolution in the frequency derivatives is found to significantly increase with the number of segments.

Large polaron tunneling, magnetic and impedance analysis of magnesium ferrite nanocrystallite

Energy Technology Data Exchange (ETDEWEB)

Mahato, Dev K., E-mail: drdevkumar@yahoo.com [Department of Physics, National Institute of Technology Patna, Patna 800 005 (India); Majumder, Sumit [Department of Physics, Jadavpur University, Kolkata 700032 (India); Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700 064 (India); Banerjee, S. [Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700 064 (India)

2017-08-15

Graphical abstract: The diffraction peaks corresponding to the planes (111), (220), (311), (222), (400), (422), (511), (440), (620), (533) and (444) provide a clear evidence for the formation of spinel structure of the ferrites. The lattice parameter ‘a’ determined as 8.392 Å matches well with JCPDS (73-2410) file for MgFe{sub 2}O{sub 4.} The volume of the unit cell is 591.012 Å{sup 3}. The crystallite size of the synthesized powder estimated from X-ray peak broadening of (311) highest intensity diffraction peak using Scherer formula was 56.4 nm. - Highlights: • Both the grain and grain boundaries contribution to conductivity of the Mg-ferrite has been observed. • Polydispersive nature of the material is checked using Cole – Cole relation. • The ac conductivity of magnesium ferrite followed σ{sub ac} ∝ ω{sup n} dependence. • The variation of the exponent ‘n’ with temperature suggests that overlapping large polaron tunnelling is the dominant conduction mechanism. • The superparamagnetic behavior of this Mg-ferrite has been observed for sample S1 annealed at 500 °C. - Abstract: Single phase MgFe{sub 2}O{sub 4} (MFO) ferrite was prepared through sol-gel auto-combustion route. The Rietveld analysis of X-ray patterns reveals that our samples are single phase. The increase in average particle size with annealing temperature and formation of nanoparticle agglomerates is observed in MgFe{sub 2}O{sub 4}. The structural morphology of the nanoparticles is studied using Scanning Electron Microscopy (SEM). Formation of spinel structure is confirmed using Fourier transform infrared spectroscopy (FTIR). The Zero-Field-Cooled (ZFC) and Field-Cooled (FC) magnetization measurements show the maximum irreversibility at 700 °C annealing temperature. The formation of a maximum at blocking temperature, T{sub B}∼ 180 K for sample annealed at 500 °C in the ZFC curve shows the superparamagnetic behavior of the sample. The increase of saturation magnetism (M

Mobility balance in the light-emitting layer governs the polaron accumulation and operational stability of organic light-emitting diodes

Science.gov (United States)

Kim, Jae-Min; Lee, Chang-Heon; Kim, Jang-Joo

2017-11-01

Organic light-emitting diode (OLED) displays are lighter and more flexible, have a wider color gamut, and consume less power than conventional displays. Stable materials and the structural design of the device are important for OLED longevity. Control of charge transport and accumulation in the device is particularly important because the interaction of excitons and polarons results in material degradation. This research investigated the charge dynamics of OLEDs experimentally and by drift-diffusion modeling. Parallel capacitance-voltage measurements of devices provided knowledge of charge behavior at different driving voltages. A comparison of exciplex-forming co-host and single host structures established that the mobility balance in the emitting layers determined the amount of accumulated polarons in those layers. Consequently, an exciplex-forming co-host provides a superior structure in terms of device lifetime and efficiency because of its well-balanced mobility. Minimizing polaron accumulation is key to achieving long OLED device lifetimes. This is a crucial aspect of device physics that must be considered in the device design structure.

Dynamics of a neuron model in different two-dimensional parameter-spaces

Science.gov (United States)

Rech, Paulo C.

2011-03-01

We report some two-dimensional parameter-space diagrams numerically obtained for the multi-parameter Hindmarsh-Rose neuron model. Several different parameter planes are considered, and we show that regardless of the combination of parameters, a typical scenario is preserved: for all choice of two parameters, the parameter-space presents a comb-shaped chaotic region immersed in a large periodic region. We also show that exist regions close these chaotic region, separated by the comb teeth, organized themselves in period-adding bifurcation cascades.

Observation of magnetic polarons in the magnetoresistive pyrochlore Lu2V2O7

International Nuclear Information System (INIS)

Storchak, Vyacheslav G; Brewer, Jess H; Eshchenko, Dmitry G; Mengyan, Patrick W; Zhou Haidong; Wiebe, Christopher R

2013-01-01

Materials that exhibit colossal magnetoresistance (CMR) have attracted much attention due to their potential technological applications. One particularly interesting model for the magnetoresistance of low-carrier-density ferromagnets involves mediation by magnetic polarons (MP)—electrons localized in nanoscale ferromagnetic ‘droplets’ by their exchange interaction. However, MP have not previously been directly detected and their size has been difficult to determine from macroscopic measurements. In order to provide this crucial information, we have carried out muon spin rotation measurements on the magnetoresistive semiconductor Lu 2 V 2 O 7 in the temperature range from 2 to 300 K and in magnetic fields up to 7 T. Magnetic polarons with characteristic radius R ≈ 0.4 nm are detected below about 100 K, where Lu 2 V 2 O 7 exhibits CMR; at higher temperature, where the magnetoresistance vanishes, these MP also disappear. This observation confirms the MP-mediated model of CMR and reveals the microscopic size of the MP in magnetoresistive pyrochlores. (paper)

Quantum fluctuations of D5d polarons on C60 molecules

International Nuclear Information System (INIS)

Wang Chui-Lin; Wang Wenzheng; Liu Yuliang; Su Zhaobin; Yu Lu.

1994-06-01

The dynamic Jahn-Teller splitting of the six equivalent D 5d polarons due to quantum fluctuations is studied in the framework of the Bogoliubov-de Gennes formalism. The tunneling induced level splittings are determined to be 2 T 1u + 2 T 2u and 1 A g + 1 H g for C 1- 60 and C -2 60 , respectively, which should give rise to observable effects in experiments. (author). 17 refs, 2 tabs

Forecasts of non-Gaussian parameter spaces using Box-Cox transformations

Science.gov (United States)

Joachimi, B.; Taylor, A. N.

2011-09-01

Forecasts of statistical constraints on model parameters using the Fisher matrix abound in many fields of astrophysics. The Fisher matrix formalism involves the assumption of Gaussianity in parameter space and hence fails to predict complex features of posterior probability distributions. Combining the standard Fisher matrix with Box-Cox transformations, we propose a novel method that accurately predicts arbitrary posterior shapes. The Box-Cox transformations are applied to parameter space to render it approximately multivariate Gaussian, performing the Fisher matrix calculation on the transformed parameters. We demonstrate that, after the Box-Cox parameters have been determined from an initial likelihood evaluation, the method correctly predicts changes in the posterior when varying various parameters of the experimental setup and the data analysis, with marginally higher computational cost than a standard Fisher matrix calculation. We apply the Box-Cox-Fisher formalism to forecast cosmological parameter constraints by future weak gravitational lensing surveys. The characteristic non-linear degeneracy between matter density parameter and normalization of matter density fluctuations is reproduced for several cases, and the capabilities of breaking this degeneracy by weak-lensing three-point statistics is investigated. Possible applications of Box-Cox transformations of posterior distributions are discussed, including the prospects for performing statistical data analysis steps in the transformed Gaussianized parameter space.

Polaronic and bipolaronic structures in the adiabatic Hubbard-Hostein model involving 2 electrons and in its extensions; Structures polaroniques et bipolaroniques dans le modele de hostein hubbard adiabatique a deux electrons et ses extensions

Energy Technology Data Exchange (ETDEWEB)

Proville, L

1998-03-30

This thesis brings its contribution to the bipolaronic theory which might explain the origin of superconductivity at high temperature. A polaron is a quasiparticle made up of a localized electron and a deformation in the crystal structure. 2 electrons in singlet states localized on the same site form a bipolaron. Whenever the Coulomb repulsion between the 2 electrons is too strong bipolaron turns into 2 no bound polarons. We study the existence and the mobility of bipolarons. We describe the electron-phonon interaction by the Holstein term and the Coulomb repulsion by the Hubbard term. 2 assumptions are made: - the local electron-phonon interaction is strong and opposes the Coulomb repulsion between Hubbard type electrons - the system is close to the adiabatic limit. The system is reduced to 2 electrons in order to allow an exact treatment and the investigation of some bipolaronic bound states. At 2-dimensions the existence of bipolarons requires a very strong coupling which forbids any classical mobility. In some cases an important tunneling effect appears and we show that mobile bipolarons exist in a particular parameter range. Near the adiabatic limit we prove that polaronic and bipolaronic structures exist for a great number of electrons. (A.C.) 33 refs.

Semiclassical and quantum polarons in crystalline acetanilide

Science.gov (United States)

Hamm, P.; Tsironis, G. P.

2007-08-01

Crystalline acetanilide is a an organic solid with peptide bond structure similar to that of proteins. Two states appear in the amide I spectral region having drastically different properties: one is strongly temperature dependent and disappears at high temperatures while the other is stable at all temperatures. Experimental and theoretical work over the past twenty five years has assigned the former to a selftrapped state while the latter to an extended free exciton state. In this article we review the experimental and theoretical developments on acetanilide paying particular attention to issues that are still pending. Although the interpretation of the states is experimentally sound, we find that specific theoretical comprehension is still lacking. Among the issues that that appear not well understood is the effective dimensionality of the selftrapped polaron and free exciton states.

Observation of semiconductor to metallic transition and polaron hopping in double perovskite Pr{sub 2}CoTiO{sub 6} ceramics

Energy Technology Data Exchange (ETDEWEB)

Mahato, Dev K., E-mail: drdevkumar@yahoo.com [Department of Physics, National Institute of Technology Patna, Patna 800005 (India); Sinha, T.P. [Department of Physics, Bose Institute, 93/1, APC Road, Kolkata 700009 (India)

2017-05-01

This paper describes semiconductor to metal transition and polaron conduction in double perovskite Pr{sub 2}CoTiO{sub 6} (PCTO) ceramics. The XRD pattern recorded at room temperature confirmed the pure phase, single crystalline structure. The semicircle arc in the impedance plot at each temperature can be attributed to the grain boundary contribution, indicating one dominating response in the measurement frequency range. The semiconductor to metallic transition was also confirmed by the variation of grain boundary resistance (R{sub gb}) with temperature. The activation energy estimated from the imaginary part of electrical modulus and impedance are found to be the characteristic of polaron conduction in PCTO. Ac conductivity followed power law dependence σ{sub ac} = Bω{sup n}. The observed variation of the exponent ‘n’ with temperature suggests the typical of charge transport assisted by a hopping process. The observed minimum in the temperature dependence of frequency exponent ‘n’ strongly suggests that the large polaron tunneling is the dominant transport process.

Correlation between excited d-orbital electron lifetime in polaron dynamics and coloration of WO3 upon ultraviolet exposure

Science.gov (United States)

Lee, Young-Ahn; Han, Seung-Ik; Rhee, Hanju; Seo, Hyungtak

2018-05-01

Polarons have been suggested to explain the mechanism of the coloration of WO3 induced by UV light. However, despite the many experimental results that support small polarons as a key mechanism, direct observation of the carrier dynamics of polarons have yet to be reported. Here, we investigate the correlation between the electronic structure and the coloration of WO3 upon exposure to UV light in 5% H2/N2 gas and, more importantly, reveal photon-induced excited d-electron generation/relaxation via the W5+ oxidation state. The WO3 is fabricated by radio-frequency magnetron sputtering. X-ray diffraction patterns show that prepared WO3 is amorphous. Optical bandgap of 3.1 eV is measured by UV-vis before and after UV light. The results of Fourier transform infrared and Raman exhibit pristine WO3 is formed with surface H2O. The colored WO3 shows reduced state of W5+ state (34.3 eV) by using X-ray photoelectron spectroscopy. The valence band maximum of WO3 after UV light in H2 is shifted from mid gap to shallow donor by using ultraviolet photoelectron spectroscopy. During the exploration of the carrier dynamics, pump (700 nm)-probe (1000 nm) spectroscopy at the femtosecond scale was used. The results indicated that electron-phonon relaxation of UV-irradiated WO3, which is the origin of the polaron-induced local surface plasmonic effect, is dominant, resulting in slow decay (within a few picoseconds); in contrast, pristine WO3 shows fast decay (less than a picosecond). Accordingly, the long photoinduced carrier relaxation is ascribed to the prolonged hot-carrier lifetime in reduced oxides resulting in a greater number of free d-electrons and, therefore, more interactions with the W5+ sub-gap states.

Dynamics of the optically-induced properties of a small-polaronic glass

International Nuclear Information System (INIS)

Emin, D.

1979-01-01

The relaxation and recombination of an electronic excitation created by the absorption of a super-band-gap photon is considered for a system in which excitons and charge carriers find it energetically favorable to self-trap. The notions of a barrier to self-trapping, a short-range repulsion between electrons and holes, and the electromodulation of the small-polaron absorption band play a central role in this discussion. The results are consistent with experiments on chalcogenide glasses

Polarons induced electronic transport, dielectric relaxation and magnetodielectric coupling in spin frustrated Ba{sub 2}FeWO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Pezhumkattil Palakkal, Jasnamol [Academy of Scientific and Innovative Research (AcSIR), CSIR—National Institute for Interdisciplinary Science and Technology (CSIR-NIIST) Campus, Trivandrum 695 019 (India); Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, CSIR, Trivandrum 695 019 (India); Lekshmi, P. Neenu; Thomas, Senoy [Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, CSIR, Trivandrum 695 019 (India); Valant, Matjaz [Materials Research Laboratory, University of Nova Gorica, Nova Gorica 5000 (Slovenia); Suresh, K.G. [Department of Physics, Indian Institute of Technology Bombay, Mumbai 400 076 (India); Varma, Manoj Raama, E-mail: manoj@niist.res.in [Academy of Scientific and Innovative Research (AcSIR), CSIR—National Institute for Interdisciplinary Science and Technology (CSIR-NIIST) Campus, Trivandrum 695 019 (India); Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, CSIR, Trivandrum 695 019 (India)

2016-04-15

Highlights: • Ordered double perovskite Ba{sub 2}FeWO{sub 6} synthesized in reducing atmosphere possess a tetragonal I4/m crystal structure with mixed valent Fe/W cations. • Ba{sub 2}FeWO{sub 6} has an antiferromagnetic structure with T{sub N} at 19 K. • Insulating Ba{sub 2}FeWO{sub 6} shows different conducting mechanisms at different temperature regions and dielectric relaxation. • The polarons invoked by the mixed valence state of cations and their disordered arrangements are solely responsible for the various physical phenomena observed in Ba{sub 2}FeWO{sub 6}. - Abstract: Mixed valent double perovskite Ba{sub 2}FeWO{sub 6}, with tetragonal crystal structure, synthesized in a highly controlled reducing atmosphere, shows antiferromagnetic transition at T{sub N} = 19 K. A cluster glass-like transition is observed around 30 K arising from the competing interactions between inhomogeneous magnetic states. The structural distortion leads to the formation of polarons that are not contributing to DC conduction below charge ordering temperature, T{sub CO} = 279 K. Above T{sub CO}, small polarons will start to hop by exploiting thermal energy and participate in the conduction mechanism. The polarons are also responsible for the dielectric relaxor behavior, in which the dielectric relaxation time follows non-linearity in temperature as proposed by Fulcher. The material also exhibits a small room temperature magnetoresistance of 1.7% at 90 kOe. An intrinsic magnetodielectric coupling of ∼4% near room temperature and at lower temperatures, as well as an extrinsic magnetodielectric coupling change from +4% to −6% at around 210 K are reported.

Excitonic polarons in quasi-one-dimensional LH1 and LH2 bacteriochlorophyll a antenna aggregates from photosynthetic bacteria: A wavelength-dependent selective spectroscopy study

International Nuclear Information System (INIS)

Freiberg, Arvi; Raetsep, Margus; Timpmann, Kou; Trinkunas, Gediminas

2009-01-01

Spectral characteristics of the optically excited states in the ring-shaped quasi-one-dimensional aggregates comprising 18 and 32 tightly coupled bacteriochlorophyll a molecules have been investigated using selective spectroscopy methods and theoretical modelling of the data. Distinguished by the lowest electronic transition energies in the LH2 and LH1 antenna complexes these aggregates govern the functionally important ultrafast funneling of solar excitation energy in the photosynthetic membranes of purple bacteria. It was found by using a sophisticated differential fluorescence line narrowing method that exciton-phonon coupling in terms of the dimensionless Huang-Rhys factor is strong in these systems, justifying an excitonic polaron theoretical approach for the data analysis. Although we reached this qualitative conclusion already previously, in this work essential dependence of the exciton-phonon coupling strength and reorganization energy on excitation wavelength as well as on excitation light fluence has been established. We then show that these results corroborate with the properties of excitonic polarons in diagonally disordered ensembles of the aggregates. Furthermore, the weighted density of states of the phonon modes, which is an important characteristic of dynamical systems interacting with their surroundings, was derived. Its shape, being similar for all studied circular aggregates, deviates significantly from a reference profile describing local response of a protein to the Q y electronic transition in a single bacteriochlorophyll a molecule. Similarities of the data for regular and B800 deficient mutant LH2 complexes indicate that the B800 pigments have no direct influence on the electronic states of the B850 aggregate system. Consistent set of model parameters was determined, unambiguously implying that excitonic polarons, rather than bare excitons are proper lowest-energy optical excitations in the LH1 and LH2 antenna complexes

Excitonic polarons in quasi-one-dimensional LH1 and LH2 bacteriochlorophyll a antenna aggregates from photosynthetic bacteria: A wavelength-dependent selective spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Freiberg, Arvi [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Institute of Molecular and Cell Biology, University of Tartu, Riia 23, 51010 Tartu (Estonia)], E-mail: arvi.freiberg@ut.ee; Raetsep, Margus; Timpmann, Kou [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Trinkunas, Gediminas [Insitute of Physics, Savanoriu pr. 231, LT-02300 Vilnius (Lithuania)

2009-02-23

Spectral characteristics of the optically excited states in the ring-shaped quasi-one-dimensional aggregates comprising 18 and 32 tightly coupled bacteriochlorophyll a molecules have been investigated using selective spectroscopy methods and theoretical modelling of the data. Distinguished by the lowest electronic transition energies in the LH2 and LH1 antenna complexes these aggregates govern the functionally important ultrafast funneling of solar excitation energy in the photosynthetic membranes of purple bacteria. It was found by using a sophisticated differential fluorescence line narrowing method that exciton-phonon coupling in terms of the dimensionless Huang-Rhys factor is strong in these systems, justifying an excitonic polaron theoretical approach for the data analysis. Although we reached this qualitative conclusion already previously, in this work essential dependence of the exciton-phonon coupling strength and reorganization energy on excitation wavelength as well as on excitation light fluence has been established. We then show that these results corroborate with the properties of excitonic polarons in diagonally disordered ensembles of the aggregates. Furthermore, the weighted density of states of the phonon modes, which is an important characteristic of dynamical systems interacting with their surroundings, was derived. Its shape, being similar for all studied circular aggregates, deviates significantly from a reference profile describing local response of a protein to the Q{sub y} electronic transition in a single bacteriochlorophyll a molecule. Similarities of the data for regular and B800 deficient mutant LH2 complexes indicate that the B800 pigments have no direct influence on the electronic states of the B850 aggregate system. Consistent set of model parameters was determined, unambiguously implying that excitonic polarons, rather than bare excitons are proper lowest-energy optical excitations in the LH1 and LH2 antenna complexes.

Repulsive polarons and itinerant ferromagnetism in strongly polarized Fermi gases

DEFF Research Database (Denmark)

Massignan, Pietro; Bruun, Georg

2011-01-01

We analyze the properties of a single impurity immersed in a Fermi sea. At positive energy and scattering lengths, we show that the system possesses a well-defined but metastable excitation, the repulsive polaron, and we calculate its energy, quasiparticle residue and effective mass. From...... polarized (ferromagnetic) domains are then examined for a binary mixture of atoms with a general mass ratio. Our results indicate that mass imbalance lowers the critical interaction strength for phase-separation, but that very short quasiparticle decay times will complicate the experimental observation...

Anisotropic small-polaron hopping in W:BiVO4 single crystals

International Nuclear Information System (INIS)

Rettie, Alexander J. E.; Chemelewski, William D.; Zhou, Jianshi; Lindemuth, Jeffrey; McCloy, John S.; Marshall, Luke G.; Emin, David; Mullins, C. Buddie

2015-01-01

DC electrical conductivity, Seebeck and Hall coefficients are measured between 300 and 450 K on single crystals of monoclinic bismuth vanadate that are doped n-type with 0.3% tungsten donors (W:BiVO 4 ). Strongly activated small-polaron hopping is implied by the activation energies of the Arrhenius conductivities (about 300 meV) greatly exceeding the energies characterizing the falls of the Seebeck coefficients' magnitudes with increasing temperature (about 50 meV). Small-polaron hopping is further evidenced by the measured Hall mobility in the ab-plane (10 −1  cm 2  V −1  s −1 at 300 K) being larger and much less strongly activated than the deduced drift mobility (about 5 × 10 −5  cm 2  V −1  s −1 at 300 K). The conductivity and n-type Seebeck coefficient is found to be anisotropic with the conductivity larger and the Seebeck coefficient's magnitude smaller and less temperature dependent for motion within the ab-plane than that in the c-direction. These anisotropies are addressed by considering highly anisotropic next-nearest-neighbor (≈5 Å) transfers in addition to the somewhat shorter (≈4 Å), nearly isotropic nearest-neighbor transfers

Determining frequentist confidence limits using a directed parameter space search

International Nuclear Information System (INIS)

Daniel, Scott F.; Connolly, Andrew J.; Schneider, Jeff

2014-01-01

We consider the problem of inferring constraints on a high-dimensional parameter space with a computationally expensive likelihood function. We propose a machine learning algorithm that maps out the Frequentist confidence limit on parameter space by intelligently targeting likelihood evaluations so as to quickly and accurately characterize the likelihood surface in both low- and high-likelihood regions. We compare our algorithm to Bayesian credible limits derived by the well-tested Markov Chain Monte Carlo (MCMC) algorithm using both multi-modal toy likelihood functions and the seven yr Wilkinson Microwave Anisotropy Probe cosmic microwave background likelihood function. We find that our algorithm correctly identifies the location, general size, and general shape of high-likelihood regions in parameter space while being more robust against multi-modality than MCMC.

A Tool for Parameter-space Explorations

Science.gov (United States)

Murase, Yohsuke; Uchitane, Takeshi; Ito, Nobuyasu

A software for managing simulation jobs and results, named "OACIS", is presented. It controls a large number of simulation jobs executed in various remote servers, keeps these results in an organized way, and manages the analyses on these results. The software has a web browser front end, and users can submit various jobs to appropriate remote hosts from a web browser easily. After these jobs are finished, all the result files are automatically downloaded from the computational hosts and stored in a traceable way together with the logs of the date, host, and elapsed time of the jobs. Some visualization functions are also provided so that users can easily grasp the overview of the results distributed in a high-dimensional parameter space. Thus, OACIS is especially beneficial for the complex simulation models having many parameters for which a lot of parameter searches are required. By using API of OACIS, it is easy to write a code that automates parameter selection depending on the previous simulation results. A few examples of the automated parameter selection are also demonstrated.

Study of spin-polaron formation in 1D systems

International Nuclear Information System (INIS)

Arredondo, Y.; Navarro, O.; Vallejo, E.

2014-01-01

We study numerically the formation of spin-polarons in low-dimensional systems. We consider a ferromagnetic Kondo lattice model with Hund coupling J H and localized spins interacting antiferromagnetically with coupling constant J. We investigate the ground state phase diagram as a function of the exchange couplings J H and J and as a function of the band filling, since it has been observed that doping either on the ferromagnetic or antiferromagnetic regime lead to formation of magnetic domains [1]. We explore the quasi-particle formation and phase separation using the density-matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems

Effect of thermodynamic fluctuations of magnetization on the bound magnetic polaron state in ferromagnetic semiconductors

International Nuclear Information System (INIS)

Bednarski, Henryk; Spałek, Józef

2014-01-01

We extend the theory of the bound magnetic polaron (BMP) in diluted paramagnetic semiconductors to the situation with a ferromagnetic phase transition. This is achieved by including the classical Gaussian fluctuations of magnetization from the quartic (non-Gaussian) term in the effective Ginzburg–Landau Hamiltonian for the spins. Within this approach, we find a ferromagnetically ordered state within the BMP in the temperature range well above the Curie temperature for the host magnetic semiconductor. Numerical results are compared directly with the recently available experimental data for the ferromagnetic semiconductor GdN. The agreement is excellent, given the simplicity of our model, and is because the polaron size (≃1.4 nm) encompasses a relatively large but finite number (N≈400) of quasiclassical spins S=7/2 coming from Gd 3+ ions. The presence of BMP invalidates the notion of critical temperature and thus makes the incorporation of classical Gaussian fluctuations sufficient to realistically describe the situation. (paper)

Replicate periodic windows in the parameter space of driven oscillators

Energy Technology Data Exchange (ETDEWEB)

Medeiros, E.S., E-mail: esm@if.usp.br [Instituto de Fisica, Universidade de Sao Paulo, Sao Paulo (Brazil); Souza, S.L.T. de [Universidade Federal de Sao Joao del-Rei, Campus Alto Paraopeba, Minas Gerais (Brazil); Medrano-T, R.O. [Departamento de Ciencias Exatas e da Terra, Universidade Federal de Sao Paulo, Diadema, Sao Paulo (Brazil); Caldas, I.L. [Instituto de Fisica, Universidade de Sao Paulo, Sao Paulo (Brazil)

2011-11-15

Highlights: > We apply a weak harmonic perturbation to control chaos in two driven oscillators. > We find replicate periodic windows in the driven oscillator parameter space. > We find that the periodic window replication is associated with the chaos control. - Abstract: In the bi-dimensional parameter space of driven oscillators, shrimp-shaped periodic windows are immersed in chaotic regions. For two of these oscillators, namely, Duffing and Josephson junction, we show that a weak harmonic perturbation replicates these periodic windows giving rise to parameter regions correspondent to periodic orbits. The new windows are composed of parameters whose periodic orbits have the same periodicity and pattern of stable and unstable periodic orbits already existent for the unperturbed oscillator. Moreover, these unstable periodic orbits are embedded in chaotic attractors in phase space regions where the new stable orbits are identified. Thus, the observed periodic window replication is an effective oscillator control process, once chaotic orbits are replaced by regular ones.

Transport through a vibrating quantum dot: Polaronic effects

International Nuclear Information System (INIS)

Koch, T; Alvermann, A; Fehske, H; Loos, J; Bishop, A R

2010-01-01

We present a Green's function based treatment of the effects of electron-phonon coupling on transport through a molecular quantum dot in the quantum limit. Thereby we combine an incomplete variational Lang-Firsov approach with a perturbative calculation of the electron-phonon self energy in the framework of generalised Matsubara Green functions and a Landauer-type transport description. Calculating the ground-state energy, the dot single-particle spectral function and the linear conductance at finite carrier density, we study the low-temperature transport properties of the vibrating quantum dot sandwiched between metallic leads in the whole electron-phonon coupling strength regime. We discuss corrections to the concept of an anti-adiabatic dot polaron and show how a deformable quantum dot can act as a molecular switch.

Polaron effects on the dc- and ac-tunneling characteristics of molecular Josephson junctions

Science.gov (United States)

Wu, B. H.; Cao, J. C.; Timm, C.

2012-07-01

We study the interplay of polaronic effect and superconductivity in transport through molecular Josephson junctions. The tunneling rates of electrons are dominated by vibronic replicas of the superconducting gap, which show up as prominent features in the differential conductance for the dc and ac current. For relatively large molecule-lead coupling, a features that appears when the Josephson frequency matches the vibron frequency can be identified with an over-the-gap structure observed by Marchenkov [Nat. Nanotech. 1748-338710.1038/nnano.2007.2182, 481 (2007)]. However, we are more concerned with the weak-coupling limit, where resonant tunneling through the molecular level dominates. We find that certain features involving both Andreev reflection and vibron emission show an unusual shift of the bias voltage V at their maximum with the gate voltage Vg as V˜(2/3)Vg. Moreover, due to the polaronic effect, the ac Josephson current shows a phase shift of π when the bias eV is increased by one vibronic energy quantum ℏωv. This distinctive even-odd effect is explained in terms of the different sign of the coupling to vibrons of electrons and of Andreev-reflected holes.

A new polaronic order-disorder phase transition in magnetite as observed through μSR

International Nuclear Information System (INIS)

Boekema, C.; Lichti, R.L.; Denison, A.B.; Brabers, V.A.M.; Cooke, D.W.; Heffner, R.H.; Hutson, R.L.; Schillaci, M.E.

1986-01-01

Recent μSr measurements on the Mott-Wigner glass magnetite, as a function of temperature and external magnetic field have shown the existence of two inequivalent magnetic sites below T A = 247 K. These data are being interpreted in terms of the onset or destruction of local order manifested as local atomic correlations (molecular polarons). (orig.)

Study of spin-polaron formation in 1D systems

Energy Technology Data Exchange (ETDEWEB)

Arredondo, Y.; Navarro, O. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Apartado Postal 70-360, 04510 México D.F. (Mexico); Vallejo, E. [Facultad de Ingeniería Mecánica y Eléctrica, Universidad Autónoma de Coahuila, Carretera Torreón-Matamoros Km. 7.5 Ciudad Universitaria, 27276 Torreón, Coahuila (Mexico)

2014-05-15

We study numerically the formation of spin-polarons in low-dimensional systems. We consider a ferromagnetic Kondo lattice model with Hund coupling J{sub H} and localized spins interacting antiferromagnetically with coupling constant J. We investigate the ground state phase diagram as a function of the exchange couplings J{sub H} and J and as a function of the band filling, since it has been observed that doping either on the ferromagnetic or antiferromagnetic regime lead to formation of magnetic domains [1]. We explore the quasi-particle formation and phase separation using the density-matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems.

Dynamics in the Parameter Space of a Neuron Model

Science.gov (United States)

Paulo, C. Rech

2012-06-01

Some two-dimensional parameter-space diagrams are numerically obtained by considering the largest Lyapunov exponent for a four-dimensional thirteen-parameter Hindmarsh—Rose neuron model. Several different parameter planes are considered, and it is shown that depending on the combination of parameters, a typical scenario can be preserved: for some choice of two parameters, the parameter plane presents a comb-shaped chaotic region embedded in a large periodic region. It is also shown that there exist regions close to these comb-shaped chaotic regions, separated by the comb teeth, organizing themselves in period-adding bifurcation cascades.

Parameter and State Estimator for State Space Models

Directory of Open Access Journals (Sweden)

Ruifeng Ding

2014-01-01

Full Text Available This paper proposes a parameter and state estimator for canonical state space systems from measured input-output data. The key is to solve the system state from the state equation and to substitute it into the output equation, eliminating the state variables, and the resulting equation contains only the system inputs and outputs, and to derive a least squares parameter identification algorithm. Furthermore, the system states are computed from the estimated parameters and the input-output data. Convergence analysis using the martingale convergence theorem indicates that the parameter estimates converge to their true values. Finally, an illustrative example is provided to show that the proposed algorithm is effective.

Faraday rotation by the undisturbed bulk and by photoinduced giant polarons in EuTe

Science.gov (United States)

Henriques, A. B.; Usachev, P. A.

2017-11-01

A quantum mechanical model is developed for the Faraday effect in europium telluride, for photons of energy within the transparency gap. The model is based on the well known band edge electronic energy states in EuTe. A concise expression for the Verdet constant is obtained, determined by few parameters already available in the literature. The Verdet constant adopted here, defined by the ratio between the Faraday rotation angle and the magnetization, is in effect temperature independent. Its dependence on the photon energy and applied magnetic field is in excellent agreement with published results. Below 3 T the Verdet constant is also nearly independent on field, but above 3 T at low temperatures it increases due to the band gap redshift. The model is used to calculate the photoinduced Faraday rotation associated with photoinduced giant magnetic polarons in EuTe. The theoretical photoinduced Faraday rotation excitation describes quite well the main features seen experimentally. Due to the common band-edge electronic energy structure, the model reported here could be extended to all other europium chalcogenides.

Full-counting statistics of energy transport of molecular junctions in the polaronic regime

International Nuclear Information System (INIS)

Tang, Gaomin; Yu, Zhizhou; Wang, Jian

2017-01-01

We investigate the full-counting statistics (FCS) of energy transport carried by electrons in molecular junctions for the Anderson–Holstein model in the polaronic regime. Using the two-time quantum measurement scheme, the generating function (GF) for the energy transport is derived and expressed as a Fredholm determinant in terms of Keldysh nonequilibrium Green’s function in the time domain. Dressed tunneling approximation is used in decoupling the phonon cloud operator in the polaronic regime. This formalism enables us to analyze the time evolution of energy transport dynamics after a sudden switch-on of the coupling between the dot and the leads towards the stationary state. The steady state energy current cumulant GF in the long time limit is obtained in the energy domain as well. Universal relations for steady state energy current FCS are derived under a finite temperature gradient with zero bias and this enabled us to express the equilibrium energy current cumulant by a linear combination of lower order cumulants. The behaviors of energy current cumulants in steady state under temperature gradient and external bias are numerically studied and explained. The transient dynamics of energy current cumulants is numerically calculated and analyzed. Universal scaling of normalized transient energy cumulants is found under both temperature gradient and external bias. (paper)

Angular-dependent EDMR linewidth for spin-dependent space charge limited conduction in a polycrystalline pentacene

Science.gov (United States)

Fukuda, Kunito; Asakawa, Naoki

2017-08-01

Spin-dependent space charge limited carrier conduction in a Schottky barrier diode using polycrystalline p-type π-conjugated molecular pentacene is explored using multiple-frequency electrically detected magnetic resonance (EDMR) spectroscopy with a variable-angle configuration. The measured EDMR spectra are decomposed into two components derived respectively from mobile and trapped positive polarons. The linewidth of the EDMR signal for the trapped polarons increases with increasing resonance magnetic field for an in-plane configuration where the normal vector of the device substrate is perpendicular to the resonance magnetic field, while it is independent of the field for an out-of-plane configuration. This difference is consistent with the pentacene arrangement on the device substrate, where pentacene molecules exhibit a uniaxial orientation on the out-of-substrate plane. By contrast, the mobile polarons do not show anisotropic behavior with respect to the resonance magnetic field, indicating that the anisotropic effect is averaged out owing to carrier motion. These results suggest that the orientational arrangements of polycrystalline pentacene molecules in a nano thin film play a crucial role in spin-dependent electrical conduction.

Effect of doping Ca on polaron hopping in LaSr 2 Mn 2 O 7

Indian Academy of Sciences (India)

... Lecture Workshops · Refresher Courses · Symposia · Live Streaming. Home; Journals; Pramana – Journal of Physics; Volume 58; Issue 5-6. Effect of doping Ca on polaron hopping in LaSr2Mn2O7. S N Bhatia Osama A Yassin. Colossal Magnetoresistance & Other Materials Volume 58 Issue 5-6 May-June 2002 pp 1061- ...

Electromagnetic-field dependence of the internal excited state of the polaron and the qubit in quantum dot with thickness

Science.gov (United States)

Bai, Xu-Fang; Xin, Wei; Yin, Hong-Wu; Eerdunchaolu

2017-06-01

The electromagnetic-field dependence of the ground and the first excited-state (GFES) energy eigenvalues and eigenfunctions of the strong-coupling polaron in a quantum dot (QD) was studied for various QD thicknesses by using the variational method of the Pekar type (VMPT). On this basis, we construct a qubit in the quantum dot (QQD) by taking a two-level structure of the polaron as the carrier. The results of numerical calculations indicate that the oscillation period of the qubit, {itT}{in0}, increases with increasing the thickness of the quantum dot (TQD) {itL}, but decreases with increasing the cyclotron frequency of the magnetic field (CFMF) ω{in{itc}}, electric-field strength {itF}, and electron-phonon coupling strength (EPCS) α. The probability density of the qubit |Ψ({itρ}, {itz}, {itt})|{su2} presents a normal distribution of the electronic transverse coordinate ρ, significantly influenced by the TQD and effective radius of the quantum dot (ERQD) {itR}{in0}, and shows a periodic oscillation with variations in the electronic longitudinal coordinate {itz}, polar angle φ and time {itt}. The decoherence time τ and the quality factor {itQ} of the free rotation increase with increasing the CFMF ω{in{itc}}, dispersion coefficient η, and EPCS α, but decrease with increasing the electric-field strength {itF}, TQD {itL}, and ERQD {itR}{in0}. The TQD is an important parameter of the qubit. Theoretically, the target, which is to regulate the oscillation period, decoherence time and quality factor of the free rotation of the qubit, can be achieved by designing different TQDs and regulating the strength of the electromagnetic field.

Determination of Geometric Parameters of Space Steel Constructions

Directory of Open Access Journals (Sweden)

Jitka Suchá

2005-06-01

Full Text Available The paper contains conclusions of the PhD thesis „Accuracy of determination of geometric parameters of space steel construction using geodetic methods“. Generally it is a difficult task with high requirements for the accuracy and reliability of results, i.e. space coordinates of assessed points on a steel construction. A solution of this task is complicated by the effects of atmospheric influences to begin with the temperature, which strongly affects steel constructions. It is desirable to eliminate the influence of the temperature for the evaluation of the geometric parameters. A choice of an efficient geodetic method, which fulfils demanding requirements, is often affected with a constrained place in an immediate neighbourhood of the measured construction. These conditions disable the choice of efficient points configuration of a geodetic micro network, e.g. the for forward intersection. In addition, points of a construction are often hardly accessible and therefore marking is difficult. The space polar method appears efficient owing to the mentioned reasons and its advantages were increased with the implementation of self-adhesive reflex targets for the distance measurement which enable the ermanent marking of measured points already in the course of placing the construction.

Linear and non-linear infrared response of one-dimensional vibrational Holstein polarons in the anti-adiabatic limit: Optical and acoustical phonon models

Science.gov (United States)

Falvo, Cyril

2018-02-01

The theory of linear and non-linear infrared response of vibrational Holstein polarons in one-dimensional lattices is presented in order to identify the spectral signatures of self-trapping phenomena. Using a canonical transformation, the optical response is computed from the small polaron point of view which is valid in the anti-adiabatic limit. Two types of phonon baths are considered: optical phonons and acoustical phonons, and simple expressions are derived for the infrared response. It is shown that for the case of optical phonons, the linear response can directly probe the polaron density of states. The model is used to interpret the experimental spectrum of crystalline acetanilide in the C=O range. For the case of acoustical phonons, it is shown that two bound states can be observed in the two-dimensional infrared spectrum at low temperature. At high temperature, analysis of the time-dependence of the two-dimensional infrared spectrum indicates that bath mediated correlations slow down spectral diffusion. The model is used to interpret the experimental linear-spectroscopy of model α-helix and β-sheet polypeptides. This work shows that the Davydov Hamiltonian cannot explain the observations in the NH stretching range.

Electric field control of the small-polaron hopping conduction in spatial confined Pr0.7(Ca0.6Sr0.40.3MnO3/PMN-PT heterostructure

Directory of Open Access Journals (Sweden)

Hao Kuang

2017-05-01

Full Text Available The electric field dependent high-temperature small-polaron hopping conduction was investigated in patterned Pr0.7(Ca0.6Sr0.40.3MnO3 strips. The small-polaronic activation energy EA and the carrier localization were found to decrease with the reduction of the strip size. Meanwhile, a similar dependence on the strip size was also obtained for the calculated small-polaron coupling constants, which could be related to the strain relaxation in strips. These results indicate that the spatial confinement prefers to delocalize the carrier and reduce the electron-phonon interaction. Furthermore, opposite variation trends of EA under negative and positive electric field were found in the strips with small size, which could be attributed to the enhancement of polarization effect induced by the reduction of strip size.

Polaron Hopping in Nano-scale Poly(dA–Poly(dT DNA

Directory of Open Access Journals (Sweden)

Singh Mahi

2010-01-01

Full Text Available Abstract We investigate the current–voltage relationship and the temperature-dependent conductance of nano-scale samples of poly(dA–poly(dT DNA molecules. A polaron hopping model has been used to calculate the I–V characteristic of nano-scale samples of DNA. This model agrees with the data for current versus voltage at temperatures greater than 100 K. The quantities G 0 , i 0 , and T 1d are determined empirically, and the conductivity is estimated for samples of poly(dA–poly(dT.

Inelastic scattering in a local polaron model with quadratic coupling to bosons

DEFF Research Database (Denmark)

Olsen, Thomas

2009-01-01

We calculate the inelastic scattering probabilities in the wide band limit of a local polaron model with quadratic coupling to bosons. The central object is a two-particle Green's function which is calculated exactly using a purely algebraic approach. Compared with the usual linear interaction term...... a quadratic interaction term gives higher probabilities for inelastic scattering involving a large number of bosons. As an application we consider the problem hot-electron-mediated energy transfer at surfaces and use the delta self-consistent field extension of density-functional theory to calculate...

f-f Magnetic polaron Wigner glass and anomalous superconductivity in U sub 1 sub - sub x Th sub x Be sub 1 sub 3

CERN Document Server

Kasuya, T

2000-01-01

Mechanisms of the anomalous properties in the heavy fermion superconductor UBe sub 1 sub 3 and its alloys, in particular for the Th dopings, are studied in detail based on the fundamental electronic states to be consistent with all the crucial experimental results. As the reference systems for the magnetic polaron formation, Ce monopnictides, as well as USb and UTe, are mentioned. From detailed systematic studies of the dilute alloy systems, it is postulated that the 5f states in UBe sub 1 sub 3 split into the well-localized core 5f GAMMA sup 2 sub 7 singlet state and other delocalized 5f states situated around the Fermi energy forming the f-f magnetic polarons through the strong intra-atomic ferromagnetic f-f exchange interaction. The accompanied lattice polarons are also shown to play important roles. In the p-d band states, the f-f exchange interaction and the intersite p-f mixing interactions for the p-f Kondo state are of nearly equal strengths causing a rich variety of delicately balanced states. For th...

Exploration of DGVM Parameter Solution Space Using Simulated Annealing: Implications for Forecast Uncertainties

Science.gov (United States)

Wells, J. R.; Kim, J. B.

2011-12-01

Parameters in dynamic global vegetation models (DGVMs) are thought to be weakly constrained and can be a significant source of errors and uncertainties. DGVMs use between 5 and 26 plant functional types (PFTs) to represent the average plant life form in each simulated plot, and each PFT typically has a dozen or more parameters that define the way it uses resource and responds to the simulated growing environment. Sensitivity analysis explores how varying parameters affects the output, but does not do a full exploration of the parameter solution space. The solution space for DGVM parameter values are thought to be complex and non-linear; and multiple sets of acceptable parameters may exist. In published studies, PFT parameters are estimated from published literature, and often a parameter value is estimated from a single published value. Further, the parameters are "tuned" using somewhat arbitrary, "trial-and-error" methods. BIOMAP is a new DGVM created by fusing MAPSS biogeography model with Biome-BGC. It represents the vegetation of North America using 26 PFTs. We are using simulated annealing, a global search method, to systematically and objectively explore the solution space for the BIOMAP PFTs and system parameters important for plant water use. We defined the boundaries of the solution space by obtaining maximum and minimum values from published literature, and where those were not available, using +/-20% of current values. We used stratified random sampling to select a set of grid cells representing the vegetation of the conterminous USA. Simulated annealing algorithm is applied to the parameters for spin-up and a transient run during the historical period 1961-1990. A set of parameter values is considered acceptable if the associated simulation run produces a modern potential vegetation distribution map that is as accurate as one produced by trial-and-error calibration. We expect to confirm that the solution space is non-linear and complex, and that

Angular-Dependent EDMR Linewidth for Spin-Dependent Space-Charge-Limited Conduction in a Polycrystalline Pentacene

Directory of Open Access Journals (Sweden)

Kunito Fukuda

2017-08-01

Full Text Available Spin-dependent space-charge-limited carrier conduction in a Schottky barrier diode using polycrystalline p-type π-conjugated molecular pentacene is explored using multiple-frequency electrically detected magnetic resonance (EDMR spectroscopy with a variable-angle configuration. The measured EDMR spectra are decomposed into two components derived, respectively, from mobile and trapped positive polarons. The linewidth of the EDMR signal for the trapped polarons increases with increasing resonance magnetic field for an in-plane configuration where the normal vector of the device substrate is perpendicular to the resonance magnetic field, while it is independent of the field for an out-of-plane configuration. This difference is consistent with the pentacene arrangement on the device substrate, where pentacene molecules exhibit a uniaxial orientation on the out-of-substrate plane. By contrast, the mobile polarons do not show anisotropic behavior with respect to the resonance magnetic field, indicating that the anisotropic effect is averaged out owing to carrier motion. These results suggest that the orientational arrangements of polycrystalline pentacene molecules in a nano thin film play a crucial role in spin-dependent electrical conduction.

HL-LHC parameter space and scenarios

International Nuclear Information System (INIS)

Bruning, O.S.

2012-01-01

The HL-LHC project aims at a total integrated luminosity of approximately 3000 fb -1 over the lifetime of the HL-LHC. Assuming an exploitation period of ca. 10 years this goal implies an annual integrated luminosity of approximately 200 fb -1 to 300 fb -1 per year. This paper looks at potential beam parameters that are compatible with the HL-LHC performance goals and discusses briefly potential variation in the parameter space. It is shown that the design goal of the HL-LHC project can only be achieved with a full upgrade of the injector complex and the operation with β* values close to 0.15 m. Significant margins for leveling can be achieved for β* values close to 0.15 m. However, these margins can only be harvested during the HL-LHC operation if the required leveling techniques have been demonstrated in operation

Proton impurity in the neutron matter: a nuclear polaron problem

Energy Technology Data Exchange (ETDEWEB)

Kutschera, M [Institute of Nuclear Physics, Cracow (Poland); Wojcik, W [Politechnika Krakowska, Cracow (Poland)

1992-10-01

We study interactions of a proton impurity with density oscillations of the neutron matter in a Debye approximation. The proton-phonon coupling is of the deformation-potential type at long wavelengths. It is weak at low density and increases with the neutron matter density. We calculate the proton`s effective mass perturbatively for a weak coupling, and use a canonical transformation technique for stronger couplings. The proton`s effective mass grows significantly with density, and at higher densities the proton impurity can be localized. This behaviour is similar to that of the polaron in solids. We obtain properties of the localized proton in the strong coupling regime from variational calculations, treating the neutron in the Thomas-Fermi approximation. (author). 14 refs, 8 figs.

An open-source job management framework for parameter-space exploration: OACIS

Science.gov (United States)

Murase, Y.; Uchitane, T.; Ito, N.

2017-11-01

We present an open-source software framework for parameter-space exporation, named OACIS, which is useful to manage vast amount of simulation jobs and results in a systematic way. Recent development of high-performance computers enabled us to explore parameter spaces comprehensively, however, in such cases, manual management of the workflow is practically impossible. OACIS is developed aiming at reducing the cost of these repetitive tasks when conducting simulations by automating job submissions and data management. In this article, an overview of OACIS as well as a getting started guide are presented.

Physics parameter space of tokamak ignition devices

International Nuclear Information System (INIS)

Selcow, E.C.; Peng, Y.K.M.; Uckan, N.A.; Houlberg, W.A.

1985-01-01

This paper describes the results of a study to explore the physics parameter space of tokamak ignition experiments. A new physics systems code has been developed to perform the study. This code performs a global plasma analysis using steady-state, two-fluid, energy-transport models. In this paper, we discuss the models used in the code and their application to the analysis of compact ignition experiments. 8 refs., 8 figs., 1 tab

Polaron-electron assisted giant dielectric dispersion in SrZrO{sub 3} high-k dielectric

Energy Technology Data Exchange (ETDEWEB)

Borkar, Hitesh; Barvat, Arun; Pal, Prabir; Kumar, Ashok, E-mail: ashok553@nplindia.org [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-National Physical Laboratory (CSIR-NPL) Campus, Dr. K S Krishnan Marg, New Delhi 110012 (India); Shukla, A. K. [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Pulikkotil, J. J. [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-National Physical Laboratory (CSIR-NPL) Campus, Dr. K S Krishnan Marg, New Delhi 110012 (India); Computation and Networking Facility, CSIR-National Physical Laboratory, New Delhi 110012 (India)

2016-06-07

The SrZrO{sub 3} is a well known high-k dielectric constant (∼22) and high optical bandgap (∼5.8 eV) material and one of the potential candidates for future generation nanoelectronic logic elements (8 nm node technology) beyond silicon. Its dielectric behavior is fairly robust and frequency independent till 470 K; however, it suffers a strong small-polaron based electronic phase transition (T{sub e}) linking 650 to 750 K. The impedance spectroscopy measurements revealed the presence of conducting grains and grain boundaries at elevated temperature which provide energetic mobile charge carriers with activation energy in the range of 0.7 to 1.2 eV supporting the oxygen ions and proton conduction. X-ray photoemission spectroscopy measurements suggest the presence of weak non-stoichiometric O{sup 2−} anions and hydroxyl species bound to different sites at the surface and bulk. These thermally activated charge carriers at elevated temperature significantly contribute to the polaronic based dielectric anomaly and conductivity. Our dielectric anomaly supports pseudo phase transition due to high degree of change in ZrO{sub 6} octahedral angle in the temperature range of 650–750 K, where electron density and phonon vibration affect the dielectric and conductivity properties.

A variational study of the self-trapped magnetic polaron formation in double-exchange model

International Nuclear Information System (INIS)

Liu Tao; Feng Mang; Wang Kelin

2005-01-01

We study the formation of self-trapped magnetic polaron (STMP) in an antiferro/ferromagnetic double-exchange model semi-analytically by variational solutions. It is shown that the Jahn-Teller effect is not essential to the STMP formation and the STMP forms in the antiferromagnetic material within the region of the order of the lattice constant. We also confirm that no ground state STMP exists in the ferromagnetic background, but the ground state bound MP could appear due to the impurity potential

On the Consistency of Bootstrap Testing for a Parameter on the Boundary of the Parameter Space

DEFF Research Database (Denmark)

Cavaliere, Giuseppe; Nielsen, Heino Bohn; Rahbek, Anders

2017-01-01

It is well known that with a parameter on the boundary of the parameter space, such as in the classic cases of testing for a zero location parameter or no autoregressive conditional heteroskedasticity (ARCH) effects, the classic nonparametric bootstrap – based on unrestricted parameter estimates...... – leads to inconsistent testing. In contrast, we show here that for the two aforementioned cases, a nonparametric bootstrap test based on parameter estimates obtained under the null – referred to as ‘restricted bootstrap’ – is indeed consistent. While the restricted bootstrap is simple to implement...... in practice, novel theoretical arguments are required in order to establish consistency. In particular, since the bootstrap is analysed both under the null hypothesis and under the alternative, non-standard asymptotic expansions are required to deal with parameters on the boundary. Detailed proofs...

Research on Geometric Positioning Algorithm of License Plate in Multidimensional Parameter Space

Directory of Open Access Journals (Sweden)

Yinhua Huan

2014-05-01

Full Text Available Considering features of vehicle license plate location method which commonly used, in order to search a consistent location for reference images with license plates feature in multidimensional parameter space, a new algorithm of geometric location is proposed. Geometric location algorithm main include model training and real time search. Which not only adapt the gray-scale linearity and the gray non-linear changes, but also support changes of scale and angle. Compared with the mainstream locating software, numerical results shows under the same test conditions that the position deviation of geometric positioning algorithm is less than 0.5 pixel. Without taking into account the multidimensional parameter space, Geometric positioning algorithm position deviation is less than 1.0 pixel and angle deviation is less than 1.0 degree taking into account the multidimensional parameter space. This algorithm is robust, simple, practical and is better than the traditional method.

Geometry on the parameter space of the belief propagation algorithm on Bayesian networks

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Yodai [National Institute of Informatics, Research Organization of Information and Systems, 2-1-2 Hitotsubashi, Chiyoda-ku, Tokyo 101-8430 (Japan); Laboratory for Mathematical Neuroscience, RIKEN Brain Science Institute, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan)

2006-01-30

This Letter considers a geometrical structure on the parameter space of the belief propagation algorithm on Bayesian networks. The statistical manifold of posterior distributions is introduced, and the expression for the information metric on the manifold is derived. The expression is used to construct a cost function which can be regarded as a measure of the distance in the parameter space.

Parameter choice in Banach space regularization under variational inequalities

International Nuclear Information System (INIS)

Hofmann, Bernd; Mathé, Peter

2012-01-01

The authors study parameter choice strategies for the Tikhonov regularization of nonlinear ill-posed problems in Banach spaces. The effectiveness of any parameter choice for obtaining convergence rates depends on the interplay of the solution smoothness and the nonlinearity structure, and it can be expressed concisely in terms of variational inequalities. Such inequalities are link conditions between the penalty term, the norm misfit and the corresponding error measure. The parameter choices under consideration include an a priori choice, the discrepancy principle as well as the Lepskii principle. For the convenience of the reader, the authors review in an appendix a few instances where the validity of a variational inequality can be established. (paper)

Rapid Computation of Thermodynamic Properties over Multidimensional Nonbonded Parameter Spaces Using Adaptive Multistate Reweighting.

Science.gov (United States)

Naden, Levi N; Shirts, Michael R

2016-04-12

We show how thermodynamic properties of molecular models can be computed over a large, multidimensional parameter space by combining multistate reweighting analysis with a linear basis function approach. This approach reduces the computational cost to estimate thermodynamic properties from molecular simulations for over 130,000 tested parameter combinations from over 1000 CPU years to tens of CPU days. This speed increase is achieved primarily by computing the potential energy as a linear combination of basis functions, computed from either modified simulation code or as the difference of energy between two reference states, which can be done without any simulation code modification. The thermodynamic properties are then estimated with the Multistate Bennett Acceptance Ratio (MBAR) as a function of multiple model parameters without the need to define a priori how the states are connected by a pathway. Instead, we adaptively sample a set of points in parameter space to create mutual configuration space overlap. The existence of regions of poor configuration space overlap are detected by analyzing the eigenvalues of the sampled states' overlap matrix. The configuration space overlap to sampled states is monitored alongside the mean and maximum uncertainty to determine convergence, as neither the uncertainty or the configuration space overlap alone is a sufficient metric of convergence. This adaptive sampling scheme is demonstrated by estimating with high precision the solvation free energies of charged particles of Lennard-Jones plus Coulomb functional form with charges between -2 and +2 and generally physical values of σij and ϵij in TIP3P water. We also compute entropy, enthalpy, and radial distribution functions of arbitrary unsampled parameter combinations using only the data from these sampled states and use the estimates of free energies over the entire space to examine the deviation of atomistic simulations from the Born approximation to the solvation free

Tuning a space-time scalable PI controller using thermal parameters

Energy Technology Data Exchange (ETDEWEB)

Riverol, C. [University of West Indies, Chemical Engineering Department, St. Augustine, Trinidad (Trinidad and Tobago); Pilipovik, M.V. [Armach Engineers, Urb. Los Palos Grandes, Project Engineering Department, Caracas (Venezuela)

2005-03-01

The paper outlines the successful empirical design and validation of a space-time PI controller based on study of the controlled variable output as function of time and space. The developed control was implemented on two heat exchanger systems (falling film evaporator and milk pasteurizer). The strategy required adding a new term over the classical PI controller, such that a new parameter should be tuned. Measurements made on commercial installations have confirmed the validity of the new controller. (orig.)

SP_Ace: a new code to derive stellar parameters and elemental abundances

Science.gov (United States)

Boeche, C.; Grebel, E. K.

2016-03-01

Context. Ongoing and future massive spectroscopic surveys will collect large numbers (106-107) of stellar spectra that need to be analyzed. Highly automated software is needed to derive stellar parameters and chemical abundances from these spectra. Aims: We developed a new method of estimating the stellar parameters Teff, log g, [M/H], and elemental abundances. This method was implemented in a new code, SP_Ace (Stellar Parameters And Chemical abundances Estimator). This is a highly automated code suitable for analyzing the spectra of large spectroscopic surveys with low or medium spectral resolution (R = 2000-20 000). Methods: After the astrophysical calibration of the oscillator strengths of 4643 absorption lines covering the wavelength ranges 5212-6860 Å and 8400-8924 Å, we constructed a library that contains the equivalent widths (EW) of these lines for a grid of stellar parameters. The EWs of each line are fit by a polynomial function that describes the EW of the line as a function of the stellar parameters. The coefficients of these polynomial functions are stored in a library called the "GCOG library". SP_Ace, a code written in FORTRAN95, uses the GCOG library to compute the EWs of the lines, constructs models of spectra as a function of the stellar parameters and abundances, and searches for the model that minimizes the χ2 deviation when compared to the observed spectrum. The code has been tested on synthetic and real spectra for a wide range of signal-to-noise and spectral resolutions. Results: SP_Ace derives stellar parameters such as Teff, log g, [M/H], and chemical abundances of up to ten elements for low to medium resolution spectra of FGK-type stars with precision comparable to the one usually obtained with spectra of higher resolution. Systematic errors in stellar parameters and chemical abundances are presented and identified with tests on synthetic and real spectra. Stochastic errors are automatically estimated by the code for all the parameters

On equivalent parameter learning in simplified feature space based on Bayesian asymptotic analysis.

Science.gov (United States)

Yamazaki, Keisuke

2012-07-01

Parametric models for sequential data, such as hidden Markov models, stochastic context-free grammars, and linear dynamical systems, are widely used in time-series analysis and structural data analysis. Computation of the likelihood function is one of primary considerations in many learning methods. Iterative calculation of the likelihood such as the model selection is still time-consuming though there are effective algorithms based on dynamic programming. The present paper studies parameter learning in a simplified feature space to reduce the computational cost. Simplifying data is a common technique seen in feature selection and dimension reduction though an oversimplified space causes adverse learning results. Therefore, we mathematically investigate a condition of the feature map to have an asymptotically equivalent convergence point of estimated parameters, referred to as the vicarious map. As a demonstration to find vicarious maps, we consider the feature space, which limits the length of data, and derive a necessary length for parameter learning in hidden Markov models. Copyright © 2012 Elsevier Ltd. All rights reserved.

Determination of charged particle beam parameters with taking into account of space charge

International Nuclear Information System (INIS)

Ishkhanov, B.S.; Poseryaev, A.V.; Shvedunov, V.I.

2005-01-01

One describes a procedure to determine the basic parameters of a paraxial axially-symmetric beam of charged particles taking account of space charge contribution. The described procedure is based on application of the general equation for beam envelope. Paper presents data on its convergence and resistance to measurement errors. The position determination error of crossover (stretching) and radius of beam in crossover is maximum 15% , while the emittance determination error depends on emittance and space charge correlation. The introduced procedure was used to determine parameters of the available electron gun 20 keV energy beam with 0.64 A current. The derived results turned to agree closely with the design parameters [ru

An Integrated Approach to Parameter Learning in Infinite-Dimensional Space

Energy Technology Data Exchange (ETDEWEB)

Boyd, Zachary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wendelberger, Joanne Roth [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-09-14

The availability of sophisticated modern physics codes has greatly extended the ability of domain scientists to understand the processes underlying their observations of complicated processes, but it has also introduced the curse of dimensionality via the many user-set parameters available to tune. Many of these parameters are naturally expressed as functional data, such as initial temperature distributions, equations of state, and controls. Thus, when attempting to find parameters that match observed data, being able to navigate parameter-space becomes highly non-trivial, especially considering that accurate simulations can be expensive both in terms of time and money. Existing solutions include batch-parallel simulations, high-dimensional, derivative-free optimization, and expert guessing, all of which make some contribution to solving the problem but do not completely resolve the issue. In this work, we explore the possibility of coupling together all three of the techniques just described by designing user-guided, batch-parallel optimization schemes. Our motivating example is a neutron diffusion partial differential equation where the time-varying multiplication factor serves as the unknown control parameter to be learned. We find that a simple, batch-parallelizable, random-walk scheme is able to make some progress on the problem but does not by itself produce satisfactory results. After reducing the dimensionality of the problem using functional principal component analysis (fPCA), we are able to track the progress of the solver in a visually simple way as well as viewing the associated principle components. This allows a human to make reasonable guesses about which points in the state space the random walker should try next. Thus, by combining the random walker's ability to find descent directions with the human's understanding of the underlying physics, it is possible to use expensive simulations more efficiently and more quickly arrive at the

The magnetically driven imploding liner parameter space of the ATLAS capacitor bank

CERN Document Server

Lindemuth, I R; Faehl, R J; Reinovsky, R E

2001-01-01

Summary form only given, as follows. The Atlas capacitor bank (23 MJ, 30 MA) is now operational at Los Alamos. Atlas was designed primarily to magnetically drive imploding liners for use as impactors in shock and hydrodynamic experiments. We have conducted a computational "mapping" of the high-performance imploding liner parameter space accessible to Atlas. The effect of charge voltage, transmission inductance, liner thickness, liner initial radius, and liner length has been investigated. One conclusion is that Atlas is ideally suited to be a liner driver for liner-on-plasma experiments in a magnetized target fusion (MTF) context . The parameter space of possible Atlas reconfigurations has also been investigated.

Efficiently enclosing the compact binary parameter space by singular-value decomposition

International Nuclear Information System (INIS)

Cannon, Kipp; Hanna, Chad; Keppel, Drew

2011-01-01

Gravitational-wave searches for the merger of compact binaries use matched filtering as the method of detecting signals and estimating parameters. Such searches construct a fine mesh of filters covering a signal parameter space at high density. Previously it has been shown that singular-value decomposition can reduce the effective number of filters required to search the data. Here we study how the basis provided by the singular-value decomposition changes dimension as a function of template-bank density. We will demonstrate that it is sufficient to use the basis provided by the singular-value decomposition of a low-density bank to accurately reconstruct arbitrary points within the boundaries of the template bank. Since this technique is purely numerical, it may have applications to interpolating the space of numerical relativity waveforms.

Polaronic Nonmetal-Correlated Metal Crossover System β'-CuxV2O5 with Anharmonic Copper Oscillation and Thermoelectric Conversion Performance

Science.gov (United States)

Onoda, Masashige; Sato, Takuma

2017-12-01

The crystal structures and electronic properties of β'CuxV2O5 are explored through measurements of X-ray four-circle diffraction, electrical resistivity, thermoelectric power, thermal conductivity, magnetization, and electron paramagnetic resonance. For various compositions with 0.243 ≤ x ≤ 0.587, the crystal structures are redetermined through the anharmonic approach of the copper displacement factors, where the anharmonicity is reduced with increasing Cu concentration. The electron transport for x ≤ 0.45 is nonmetallic due to polaron hopping and the random potential of Cu ions, while for x = 0.60, a correlated Fermi-liquid state appears with a Wilson ratio of 1.3 and a Kadowaki-Woods ratio close to the universal value for heavy-fermion systems. At around x = 0.50, the polaronic bandwidth may broaden so that the Hubbard subbands caused by the electron correlation will overlap. The nonmetallic composition in the proximity of the nonmetal-metal crossover shows a dimensionless thermoelectric power factor of 10-2 at 300 K, partly due to the anharmonic copper oscillation.

Recovering a Probabilistic Knowledge Structure by Constraining Its Parameter Space

Science.gov (United States)

Stefanutti, Luca; Robusto, Egidio

2009-01-01

In the Basic Local Independence Model (BLIM) of Doignon and Falmagne ("Knowledge Spaces," Springer, Berlin, 1999), the probabilistic relationship between the latent knowledge states and the observable response patterns is established by the introduction of a pair of parameters for each of the problems: a lucky guess probability and a careless…

Exploring short-GRB afterglow parameter space for observations in coincidence with gravitational waves

Science.gov (United States)

Saleem, M.; Resmi, L.; Misra, Kuntal; Pai, Archana; Arun, K. G.

2018-03-01

Short duration Gamma Ray Bursts (SGRB) and their afterglows are among the most promising electromagnetic (EM) counterparts of Neutron Star (NS) mergers. The afterglow emission is broad-band, visible across the entire electromagnetic window from γ-ray to radio frequencies. The flux evolution in these frequencies is sensitive to the multidimensional afterglow physical parameter space. Observations of gravitational wave (GW) from BNS mergers in spatial and temporal coincidence with SGRB and associated afterglows can provide valuable constraints on afterglow physics. We run simulations of GW-detected BNS events and assuming that all of them are associated with a GRB jet which also produces an afterglow, investigate how detections or non-detections in X-ray, optical and radio frequencies can be influenced by the parameter space. We narrow down the regions of afterglow parameter space for a uniform top-hat jet model, which would result in different detection scenarios. We list inferences which can be drawn on the physics of GRB afterglows from multimessenger astronomy with coincident GW-EM observations.

Effects of space-dependent cross sections on core physics parameters for compact fast spectrum space power reactors

International Nuclear Information System (INIS)

Lell, R.M.; Hanan, N.A.

1987-01-01

Effects of multigroup neutron cross section generation procedures on core physics parameters for compact fast spectrum reactors have been examined. Homogeneous and space-dependent multigroup cross section sets were generated in 11 and 27 groups for a representative fast reactor core. These cross sections were used to compute various reactor physics parameters for the reference core. Coarse group structure and neglect of space-dependence in the generation procedure resulted in inaccurate computations of reactor flux and power distributions and in significant errors regarding estimates of core reactivity and control system worth. Delayed neutron fraction was insensitive to cross section treatment, and computed reactivity coefficients were only slightly sensitive. However, neutron lifetime was found to be very sensitive to cross section treatment. Deficiencies in multigroup cross sections are reflected in core nuclear design and, consequently, in system mechanical design

LAMOST DR1: Stellar Parameters and Chemical Abundances with SP_Ace

Science.gov (United States)

Boeche, C.; Smith, M. C.; Grebel, E. K.; Zhong, J.; Hou, J. L.; Chen, L.; Stello, D.

2018-04-01

We present a new analysis of the LAMOST DR1 survey spectral database performed with the code SP_Ace, which provides the derived stellar parameters {T}{{eff}}, {log}g, [Fe/H], and [α/H] for 1,097,231 stellar objects. We tested the reliability of our results by comparing them to reference results from high spectral resolution surveys. The expected errors can be summarized as ∼120 K in {T}{{eff}}, ∼0.2 in {log}g, ∼0.15 dex in [Fe/H], and ∼0.1 dex in [α/Fe] for spectra with S/N > 40, with some differences between dwarf and giant stars. SP_Ace provides error estimations consistent with the discrepancies observed between derived and reference parameters. Some systematic errors are identified and discussed. The resulting catalog is publicly available at the LAMOST and CDS websites.

B→τν: Opening up the charged Higgs parameter space with R-parity violation

International Nuclear Information System (INIS)

Bose, Roshni; Kundu, Anirban

2012-01-01

The theoretically clean channel B + →τ + ν shows a close to 3σ discrepancy between the Standard Model prediction and the data. This in turn puts a strong constraint on the parameter space of a two-Higgs doublet model, including R-parity conserving supersymmetry. The constraint is so strong that it almost smells of fine-tuning. We show how the parameter space opens up with the introduction of suitable R-parity violating interactions, and release the tension between data and theory.

Entropy considerations in constraining the mSUGRA parameter space

International Nuclear Information System (INIS)

Nunez, Dario; Sussman, Roberto A.; Zavala, Jesus; Nellen, Lukas; Cabral-Rosetti, Luis G.; Mondragon, Myriam

2006-01-01

We explore the use of two criteria to constraint the allowed parameter space in mSUGRA models. Both criteria are based in the calculation of the present density of neutralinos as dark matter in the Universe. The first one is the usual ''abundance'' criterion which is used to calculate the relic density after the ''freeze-out'' era. To compute the relic density we used the numerical public code micrOMEGAs. The second criterion applies the microcanonical definition of entropy to a weakly interacting and self-gravitating gas evaluating then the change in the entropy per particle of this gas between the ''freeze-out'' era and present day virialized structures (i.e systems in virial equilibrium). An ''entropy-consistency'' criterion emerges by comparing theoretical and empirical estimates of this entropy. The main objective of our work is to determine for which regions of the parameter space in the mSUGRA model are both criteria consistent with the 2σ bounds according to WMAP for the relic density: 0.0945 < ΩCDMh2 < 0.1287. As a first result, we found that for A0 = 0, sgnμ +, small values of tanβ are not favored; only for tanβ ≅ 50 are both criteria significantly consistent

Effect of different conductivity between the spin polarons on spin injection in a ferromagnet/organic semiconductor system

International Nuclear Information System (INIS)

Mi Yilin; Zhang Ming; Yan Hui

2008-01-01

Spin injection across ferromagnet/organic semiconductor system with finite width of the layers was studied theoretically considering spin-dependent conductivity in the organic-semiconductor. It was found that the spin injection efficiency is directly dependent on the difference between the conductivity of the up-spin and down-spin polarons in the spin-injected organic system. Furthermore, the finite width of the structure, interfacial electrochemical-potential and conductivity mismatch have great influence on the spin injection process across ferromagnet/organic semiconductor interface

Legal Parameters of Space Tourism

OpenAIRE

Smith, Lesley Jane; Hörl, Kay-Uwe

2004-01-01

The commercial concept of space tourism raises important legal issues not specifically addressed by first generation rules of international spacelaw. The principles established in the nineteen sixties and seventies were inspired by the philosophy that exploration of space was undertaken by and for the benefit of mankind. Technical developments since then haveincreased the potential for new space applications, with a corresponding increase in commercial interest in space. If space tourism is t...

Application and optimization of input parameter spaces in mass flow modelling: a case study with r.randomwalk and r.ranger

Science.gov (United States)

Krenn, Julia; Zangerl, Christian; Mergili, Martin

2017-04-01

r.randomwalk is a GIS-based, multi-functional, conceptual open source model application for forward and backward analyses of the propagation of mass flows. It relies on a set of empirically derived, uncertain input parameters. In contrast to many other tools, r.randomwalk accepts input parameter ranges (or, in case of two or more parameters, spaces) in order to directly account for these uncertainties. Parameter spaces represent a possibility to withdraw from discrete input values which in most cases are likely to be off target. r.randomwalk automatically performs multiple calculations with various parameter combinations in a given parameter space, resulting in the impact indicator index (III) which denotes the fraction of parameter value combinations predicting an impact on a given pixel. Still, there is a need to constrain the parameter space used for a certain process type or magnitude prior to performing forward calculations. This can be done by optimizing the parameter space in terms of bringing the model results in line with well-documented past events. As most existing parameter optimization algorithms are designed for discrete values rather than for ranges or spaces, the necessity for a new and innovative technique arises. The present study aims at developing such a technique and at applying it to derive guiding parameter spaces for the forward calculation of rock avalanches through back-calculation of multiple events. In order to automatize the work flow we have designed r.ranger, an optimization and sensitivity analysis tool for parameter spaces which can be directly coupled to r.randomwalk. With r.ranger we apply a nested approach where the total value range of each parameter is divided into various levels of subranges. All possible combinations of subranges of all parameters are tested for the performance of the associated pattern of III. Performance indicators are the area under the ROC curve (AUROC) and the factor of conservativeness (FoC). This

Polaronic transport and thermoelectricity in Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2)

Science.gov (United States)

Liu, Yu; Kang, Chang-Jong; Stavitski, Eli; Du, Qianheng; Attenkofer, Klaus; Kotliar, G.; Petrovic, C.

2018-04-01

We report a study of Co-doped berthierite Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2). The alloy series of Fe1 -xCoxSb2S4 crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb2, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, Eρ (146 ˜270 meV ), and thermopower, ES (47 ˜108 meV ), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb2S4 (x =0 ) exhibit a broad antiferromagnetic transition (TN=46 K ) followed by an additional weak transition (T*=50 K ). Transition temperatures (TN and T*) slightly decrease with increasing Co content x . This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe1 -xCoxSb2S4 shows relatively high value of thermopower (up to ˜624 μ V K-1 at 300 K) and thermal conductivity much lower when compared to FeSb2, a feature desired for potential applications based on FeSb2 materials.

The Legion Support for Advanced Parameter-Space Studies on a Grid

National Research Council Canada - National Science Library

Natrajan, Anand; Humphrey, Marty A; Grimshaw, Andrew S

2006-01-01

.... Legion provides tools and services that support advanced parameter-space studies, i.e., studies that make complex demands such as transparent access to distributed files, fault-tolerance and security. We demonstrate these benefits with a protein-folding experiment in which a molecular simulation package was run over a grid managed by Legion.

Scattering-parameter extraction and calibration techniques for RF free-space material characterization

DEFF Research Database (Denmark)

Kaniecki, M.; Saenz, E.; Rolo, L.

2014-01-01

This paper demonstrates a method for material characterization (permittivity, permeability, loss tangent) based on the scattering parameters. The performance of the extraction algorithm will be shown for modelled and measured data. The measurements were carried out at the European Space Agency...

Review of the different methods to derive average spacing from resolved resonance parameters sets

International Nuclear Information System (INIS)

Fort, E.; Derrien, H.; Lafond, D.

1979-12-01

The average spacing of resonances is an important parameter for statistical model calculations, especially concerning non fissile nuclei. The different methods to derive this average value from resonance parameters sets have been reviewed and analyzed in order to tentatively detect their respective weaknesses and propose recommendations. Possible improvements are suggested

Parameters of electromagnetic weather in near-terrestrial space determining the effects on biosystems

International Nuclear Information System (INIS)

Oraevskij, V.N.; Golyshev, S.A.; Levitin, A.E.; Breus, T.K.; Ivanova, S.V.; Komarov, F.I.; Rapoport, S.I.

1995-01-01

Space and time distribution of the electric and magnetic fields and current systems in the near terrestrial space (electromagnetic weather) were studied in connection with ambulance calls in Moscow, Russia, related to the cardia-vascular diseases. The some examples of the correlations between the solar activity parameters and geomagnetic variations and the events of the extreme number of ambulance calls were presented. 4 refs., 5 figs., 2 tabs

Experimental identification of a comb-shaped chaotic region in multiple parameter spaces simulated by the Hindmarsh—Rose neuron model

Science.gov (United States)

Jia, Bing

2014-03-01

A comb-shaped chaotic region has been simulated in multiple two-dimensional parameter spaces using the Hindmarsh—Rose (HR) neuron model in many recent studies, which can interpret almost all of the previously simulated bifurcation processes with chaos in neural firing patterns. In the present paper, a comb-shaped chaotic region in a two-dimensional parameter space was reproduced, which presented different processes of period-adding bifurcations with chaos with changing one parameter and fixed the other parameter at different levels. In the biological experiments, different period-adding bifurcation scenarios with chaos by decreasing the extra-cellular calcium concentration were observed from some neural pacemakers at different levels of extra-cellular 4-aminopyridine concentration and from other pacemakers at different levels of extra-cellular caesium concentration. By using the nonlinear time series analysis method, the deterministic dynamics of the experimental chaotic firings were investigated. The period-adding bifurcations with chaos observed in the experiments resembled those simulated in the comb-shaped chaotic region using the HR model. The experimental results show that period-adding bifurcations with chaos are preserved in different two-dimensional parameter spaces, which provides evidence of the existence of the comb-shaped chaotic region and a demonstration of the simulation results in different two-dimensional parameter spaces in the HR neuron model. The results also present relationships between different firing patterns in two-dimensional parameter spaces.

Experimental identification of a comb-shaped chaotic region in multiple parameter spaces simulated by the Hindmarsh—Rose neuron model

International Nuclear Information System (INIS)

Jia Bing

2014-01-01

A comb-shaped chaotic region has been simulated in multiple two-dimensional parameter spaces using the Hindmarsh—Rose (HR) neuron model in many recent studies, which can interpret almost all of the previously simulated bifurcation processes with chaos in neural firing patterns. In the present paper, a comb-shaped chaotic region in a two-dimensional parameter space was reproduced, which presented different processes of period-adding bifurcations with chaos with changing one parameter and fixed the other parameter at different levels. In the biological experiments, different period-adding bifurcation scenarios with chaos by decreasing the extra-cellular calcium concentration were observed from some neural pacemakers at different levels of extra-cellular 4-aminopyridine concentration and from other pacemakers at different levels of extra-cellular caesium concentration. By using the nonlinear time series analysis method, the deterministic dynamics of the experimental chaotic firings were investigated. The period-adding bifurcations with chaos observed in the experiments resembled those simulated in the comb-shaped chaotic region using the HR model. The experimental results show that period-adding bifurcations with chaos are preserved in different two-dimensional parameter spaces, which provides evidence of the existence of the comb-shaped chaotic region and a demonstration of the simulation results in different two-dimensional parameter spaces in the HR neuron model. The results also present relationships between different firing patterns in two-dimensional parameter spaces

Small polaron hopping conduction in samples of ceramic La1.4Sr1.6Mn2O7.06

International Nuclear Information System (INIS)

Nakatsugawa, H.; Iguchi, E.; Jung, W.H.; Munakata, F.

1999-01-01

The ceramic sample of La 1.4 Sr 1.6 Mn 2 O 7.06 exhibits the metal-insulator transition and a negative magnetoresistance in the vicinity of the Curie temperature (T C ∼ 100 K). The dc magnetic susceptibility between 100 K and 280 K is nearly constant and decreases gradually with increasing temperature above 280 K. The measurements of dc resistivity and the thermoelectric power indicate that small polaron hopping conduction takes place at T > 280 K. The spin ordering due to the two-dimensional d x 2 -y 2 state occurring at T > 280 K is directly related to the hopping conduction above 280 K, although the spin ordering due to the one-dimensional d 3z 2 -r 2 state takes place at T > T C . The two-dimensional d x 2 -y 2 state extending within the MnO 2 sheets starts to narrow and leads to the carrier localisation at 280 K. The effective number of holes in this sample estimated from the thermoelectric power is considerably smaller than the nominal value. This indicates that the small polaron hopping conduction takes place predominantly within the in-plane MnO 2 sheets. A discussion is given of the experimental results of the ceramic sample of La 2/3 Ca 1/3 MnO 2.98 . Copyright (1999) CSIRO Australia

The dynamics of blood biochemical parameters in cosmonauts during long-term space flights

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Markin, Andrei; Strogonova, Lubov; Balashov, Oleg; Polyakov, Valery; Tigner, Timoty

Most of the previously obtained data on cosmonauts' metabolic state concerned certain stages of the postflight period. In this connection, all conclusions, as to metabolism peculiarities during the space flight, were to a large extent probabilistic. The purpose of this work was study of metabolism characteristics in cosmonauts directly during long-term space flights. In the capillary blood samples taken from a finger, by "Reflotron IV" biochemical analyzer, "Boehringer Mannheim" GmbH, Germany, adapted to weightlessness environments, the activity of GOT, GPT, CK, gamma-GT, total and pancreatic amylase, as well as concentration of hemoglobin, glucose, total bilirubin, uric acid, urea, creatinine, total, HDL- and LDL cholesterol, triglycerides had been determined. HDL/LDL-cholesterol ratio also was computed. The crewmembers of 6 main missions to the "Mir" orbital station, a total of 17 cosmonauts, were examined. Biochemical tests were carryed out 30-60 days before lounch, and in the flights different stages between the 25-th and the 423-rd days of flights. In cosmonauts during space flight had been found tendency to increase, in compare with basal level, GOT, GPT, total amylase activity, glucose and total cholesterol concentration, and tendency to decrease of CK activity, hemoglobin, HDL-cholesterol concentration, and HDL/LDL — cholesterol ratio. Some definite trends in variations of other determined biochemical parameters had not been found. The same trends of mentioned biochemical parameters alterations observed in majority of tested cosmonauts, allows to suppose existence of connection between noted metabolic alterations with influence of space flight conditions upon cosmonaut's body. Variations of other studied blood biochemical parameters depends on, probably, pure individual causes.

DFT+U study of self-trapping, trapping, and mobility of oxygen-type hole polarons in barium stannate

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Geneste, Grégory; Amadon, Bernard; Torrent, Marc; Dezanneau, Guilhem

2017-10-01

The charge-transfer insulating perovskite oxides currently used as fuel cell electrolytes undergo, at high temperature, an oxidation reaction 1/2 O2(g ) +VO••→OOX+2 h• , that produces oxygen-type holes. Understanding the nature and mobility of these oxygen-type holes is an important step to improve the performance of devices, but presents a theoretical challenge since, in their localized form, they cannot be captured by standard density functional theory. Here, we employ the DFT+U formalism with a Hubbard correction on the p orbitals of oxygen to investigate several properties of these holes, in the particular case of BaSnO3. We describe the small oxygen-type hole polarons, the self-trapping at their origin, and their trapping by trivalent dopants (Ga, Sc, In, Lu, Y, Gd, La). Strong similarities with protonic defects are observed concerning the evolution of the trapping energy with ionic radius of the dopant. Moreover, we show that long-range diffusion of holes is a complex phenomenon, that proceeds by a succession of several mechanisms. However, the standard implementation of DFT+U within the projector augmented-wave (PAW) formalism leads to use very large, unphysical values of U for the O-p orbital. We propose here a slightly modified DFT+U scheme, that takes into account the fact that the O-p is truncated in usual DFT+U implementation in PAW. This scheme yields more physical values of U than the ones traditionally used in the literature, and describes well the properties of the hole polaron.

Shape, size, and robustness: feasible regions in the parameter space of biochemical networks.

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Adel Dayarian

2009-01-01

Full Text Available The concept of robustness of regulatory networks has received much attention in the last decade. One measure of robustness has been associated with the volume of the feasible region, namely, the region in the parameter space in which the system is functional. In this paper, we show that, in addition to volume, the geometry of this region has important consequences for the robustness and the fragility of a network. We develop an approximation within which we could algebraically specify the feasible region. We analyze the segment polarity gene network to illustrate our approach. The study of random walks in the parameter space and how they exit the feasible region provide us with a rich perspective on the different modes of failure of this network model. In particular, we found that, between two alternative ways of activating Wingless, one is more robust than the other. Our method provides a more complete measure of robustness to parameter variation. As a general modeling strategy, our approach is an interesting alternative to Boolean representation of biochemical networks.

Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally Assisted Polaron Tunneling.

Science.gov (United States)

Taherinia, Davood; Smith, Christopher E; Ghosh, Soumen; Odoh, Samuel O; Balhorn, Luke; Gagliardi, Laura; Cramer, Christopher J; Frisbie, C Daniel

2016-04-26

We report the synthesis, transport measurements, and electronic structure of conjugation-broken oligophenyleneimine (CB-OPI 6) molecular wires with lengths of ∼4 nm. The wires were grown from Au surfaces using stepwise aryl imine condensation reactions between 1,4-diaminobenzene and terephthalaldehyde (1,4-benzenedicarbaldehyde). Saturated spacers (conjugation breakers) were introduced into the molecular backbone by replacing the aromatic diamine with trans-1,4-diaminocyclohexane at specific steps during the growth processes. FT-IR and ellipsometry were used to follow the imination reactions on Au surfaces. Surface coverages (∼4 molecules/nm(2)) and electronic structures of the wires were determined by cyclic voltammetry and UV-vis spectroscopy, respectively. The current-voltage (I-V) characteristics of the wires were acquired using conducting probe atomic force microscopy (CP-AFM) in which an Au-coated AFM probe was brought into contact with the wires to form metal-molecule-metal junctions with contact areas of ∼50 nm(2). The low bias resistance increased with the number of saturated spacers, but was not sensitive to the position of the spacer within the wire. Temperature dependent measurements of resistance were consistent with a localized charge (polaron) hopping mechanism in all of the wires. Activation energies were in the range of 0.18-0.26 eV (4.2-6.0 kcal/mol) with the highest belonging to the fully conjugated OPI 6 wire and the lowest to the CB3,5-OPI 6 wire (the wire with two saturated spacers). For the two other wires with a single conjugation breaker, CB3-OPI 6 and CB5-OPI 6, activation energies of 0.20 eV (4.6 kcal/mol) and 0.21 eV (4.8 kcal/mol) were found, respectively. Computational studies using density functional theory confirmed the polaronic nature of charge carriers but predicted that the semiclassical activation energy of hopping should be higher for CB-OPI molecular wires than for the OPI 6 wire. To reconcile the experimental and

Influence of Population Variation of Physiological Parameters in Computational Models of Space Physiology

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Myers, J. G.; Feola, A.; Werner, C.; Nelson, E. S.; Raykin, J.; Samuels, B.; Ethier, C. R.

2016-01-01

The earliest manifestations of Visual Impairment and Intracranial Pressure (VIIP) syndrome become evident after months of spaceflight and include a variety of ophthalmic changes, including posterior globe flattening and distension of the optic nerve sheath. Prevailing evidence links the occurrence of VIIP to the cephalic fluid shift induced by microgravity and the subsequent pressure changes around the optic nerve and eye. Deducing the etiology of VIIP is challenging due to the wide range of physiological parameters that may be influenced by spaceflight and are required to address a realistic spectrum of physiological responses. Here, we report on the application of an efficient approach to interrogating physiological parameter space through computational modeling. Specifically, we assess the influence of uncertainty in input parameters for two models of VIIP syndrome: a lumped-parameter model (LPM) of the cardiovascular and central nervous systems, and a finite-element model (FEM) of the posterior eye, optic nerve head (ONH) and optic nerve sheath. Methods: To investigate the parameter space in each model, we employed Latin hypercube sampling partial rank correlation coefficient (LHSPRCC) strategies. LHS techniques outperform Monte Carlo approaches by enforcing efficient sampling across the entire range of all parameters. The PRCC method estimates the sensitivity of model outputs to these parameters while adjusting for the linear effects of all other inputs. The LPM analysis addressed uncertainties in 42 physiological parameters, such as initial compartmental volume and nominal compartment percentage of total cardiac output in the supine state, while the FEM evaluated the effects on biomechanical strain from uncertainties in 23 material and pressure parameters for the ocular anatomy. Results and Conclusion: The LPM analysis identified several key factors including high sensitivity to the initial fluid distribution. The FEM study found that intraocular pressure and

Nonlinear Prediction As A Tool For Determining Parameters For Phase Space Reconstruction In Meteorology

Science.gov (United States)

Miksovsky, J.; Raidl, A.

Time delays phase space reconstruction represents one of useful tools of nonlinear time series analysis, enabling number of applications. Its utilization requires the value of time delay to be known, as well as the value of embedding dimension. There are sev- eral methods how to estimate both these parameters. Typically, time delay is computed first, followed by embedding dimension. Our presented approach is slightly different - we reconstructed phase space for various combinations of mentioned parameters and used it for prediction by means of the nearest neighbours in the phase space. Then some measure of prediction's success was computed (correlation or RMSE, e.g.). The position of its global maximum (minimum) should indicate the suitable combination of time delay and embedding dimension. Several meteorological (particularly clima- tological) time series were used for the computations. We have also created a MS- Windows based program in order to implement this approach - its basic features will be presented as well.

Dynamical quantum Hall effect in the parameter space.

Science.gov (United States)

Gritsev, V; Polkovnikov, A

2012-04-24

Geometric phases in quantum mechanics play an extraordinary role in broadening our understanding of fundamental significance of geometry in nature. One of the best known examples is the Berry phase [M.V. Berry (1984), Proc. Royal. Soc. London A, 392:45], which naturally emerges in quantum adiabatic evolution. So far the applicability and measurements of the Berry phase were mostly limited to systems of weakly interacting quasi-particles, where interference experiments are feasible. Here we show how one can go beyond this limitation and observe the Berry curvature, and hence the Berry phase, in generic systems as a nonadiabatic response of physical observables to the rate of change of an external parameter. These results can be interpreted as a dynamical quantum Hall effect in a parameter space. The conventional quantum Hall effect is a particular example of the general relation if one views the electric field as a rate of change of the vector potential. We illustrate our findings by analyzing the response of interacting spin chains to a rotating magnetic field. We observe the quantization of this response, which we term the rotational quantum Hall effect.

Quantum sensing of the phase-space-displacement parameters using a single trapped ion

Science.gov (United States)

Ivanov, Peter A.; Vitanov, Nikolay V.

2018-03-01

We introduce a quantum sensing protocol for detecting the parameters characterizing the phase-space displacement by using a single trapped ion as a quantum probe. We show that, thanks to the laser-induced coupling between the ion's internal states and the motion mode, the estimation of the two conjugated parameters describing the displacement can be efficiently performed by a set of measurements of the atomic state populations. Furthermore, we introduce a three-parameter protocol capable of detecting the magnitude, the transverse direction, and the phase of the displacement. We characterize the uncertainty of the two- and three-parameter problems in terms of the Fisher information and show that state projective measurement saturates the fundamental quantum Cramér-Rao bound.

Effects of two-temperature parameter and thermal nonlocal parameter on transient responses of a half-space subjected to ramp-type heating

Science.gov (United States)

Xue, Zhang-Na; Yu, Ya-Jun; Tian, Xiao-Geng

2017-07-01

Based upon the coupled thermoelasticity and Green and Lindsay theory, the new governing equations of two-temperature thermoelastic theory with thermal nonlocal parameter is formulated. To more realistically model thermal loading of a half-space surface, a linear temperature ramping function is adopted. Laplace transform techniques are used to get the general analytical solutions in Laplace domain, and the inverse Laplace transforms based on Fourier expansion techniques are numerically implemented to obtain the numerical solutions in time domain. Specific attention is paid to study the effect of thermal nonlocal parameter, ramping time, and two-temperature parameter on the distributions of temperature, displacement and stress distribution.

On the identifiability of inertia parameters of planar Multi-Body Space Systems

Science.gov (United States)

Nabavi-Chashmi, Seyed Yaser; Malaek, Seyed Mohammad-Bagher

2018-04-01

This work describes a new formulation to study the identifiability characteristics of Serially Linked Multi-body Space Systems (SLMBSS). The process exploits the so called "Lagrange Formulation" to develop a linear form of Equations of Motion w.r.t the system Inertia Parameters (IPs). Having developed a specific form of regressor matrix, we aim to expedite the identification process. The new approach allows analytical as well as numerical identification and identifiability analysis for different SLMBSSs' configurations. Moreover, the explicit forms of SLMBSSs identifiable parameters are derived by analyzing the identifiability characteristics of the robot. We further show that any SLMBSS designed with Variable Configurations Joint allows all IPs to be identifiable through comparing two successive identification outcomes. This feature paves the way to design new class of SLMBSS for which accurate identification of all IPs is at hand. Different case studies reveal that proposed formulation provides fast and accurate results, as required by the space applications. Further studies might be necessary for cases where planar-body assumption becomes inaccurate.

Influence of Mg doping on the behaviour of polaronic light-induced absorption in LiNbO3

International Nuclear Information System (INIS)

Conradi, D.; Merschjann, C.; Schoke, B.; Imlau, M.; Corradi, G.; Polgar, K.

2008-01-01

Transient light-induced absorption changes α li (t), caused by optically generated small polarons, are investigated in LiNbO 3 :Mg below and above the optical-damage-resistance threshold (ODRT). The lifetime of α li (t) is reduced by three orders of magnitude above the ODRT while a significantly enhanced amplitude α max li is observed in the infrared. Our observations are in full accordance with the predictions of microscopic models for the ODRT, namely the removal of Nb Li antisite defects upon incorporation of Mg ions, and an enhanced dark conductivity. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2008], Wiley Periodicals, Inc.)

Parameter estimation in space systems using recurrent neural networks

Science.gov (United States)

Parlos, Alexander G.; Atiya, Amir F.; Sunkel, John W.

1991-01-01

The identification of time-varying parameters encountered in space systems is addressed, using artificial neural systems. A hybrid feedforward/feedback neural network, namely a recurrent multilayer perception, is used as the model structure in the nonlinear system identification. The feedforward portion of the network architecture provides its well-known interpolation property, while through recurrency and cross-talk, the local information feedback enables representation of temporal variations in the system nonlinearities. The standard back-propagation-learning algorithm is modified and it is used for both the off-line and on-line supervised training of the proposed hybrid network. The performance of recurrent multilayer perceptron networks in identifying parameters of nonlinear dynamic systems is investigated by estimating the mass properties of a representative large spacecraft. The changes in the spacecraft inertia are predicted using a trained neural network, during two configurations corresponding to the early and late stages of the spacecraft on-orbit assembly sequence. The proposed on-line mass properties estimation capability offers encouraging results, though, further research is warranted for training and testing the predictive capabilities of these networks beyond nominal spacecraft operations.

Scoping the parameter space for demo and the engineering test

International Nuclear Information System (INIS)

Meier, W R.

1999-01-01

In our IFE development plan, we have set a goal of building an Engineering Test Facility (ETF) for a total cost of $2B and a Demo for $3B. In Mike Campbell s presentation at Madison, we included a viewgraph with an example Demo that had 80 to 250 MWe of net power and showed a plausible argument that it could cost less than $3B. In this memo, I examine the design space for the Demo and then briefly for the ETF. Instead of attempting to estimate the costs of the drivers, I pose the question in a way to define R ampersand D goals: As a function of key design and performance parameters, how much can the driver cost if the total facility cost is limited to the specified goal? The design parameters examined for the Demo included target gain, driver energy, driver efficiency, and net power output. For the ETF; the design parameters are target gain, driver energy, and target yield. The resulting graphs of allowable driver cost determine the goals that the driver R ampersand D programs must seek to meet

Stabilization and discontinuity-capturing parameters for space-time flow computations with finite element and isogeometric discretizations

Science.gov (United States)

Takizawa, Kenji; Tezduyar, Tayfun E.; Otoguro, Yuto

2018-04-01

Stabilized methods, which have been very common in flow computations for many years, typically involve stabilization parameters, and discontinuity-capturing (DC) parameters if the method is supplemented with a DC term. Various well-performing stabilization and DC parameters have been introduced for stabilized space-time (ST) computational methods in the context of the advection-diffusion equation and the Navier-Stokes equations of incompressible and compressible flows. These parameters were all originally intended for finite element discretization but quite often used also for isogeometric discretization. The stabilization and DC parameters we present here for ST computations are in the context of the advection-diffusion equation and the Navier-Stokes equations of incompressible flows, target isogeometric discretization, and are also applicable to finite element discretization. The parameters are based on a direction-dependent element length expression. The expression is outcome of an easy to understand derivation. The key components of the derivation are mapping the direction vector from the physical ST element to the parent ST element, accounting for the discretization spacing along each of the parametric coordinates, and mapping what we have in the parent element back to the physical element. The test computations we present for pure-advection cases show that the parameters proposed result in good solution profiles.

Fast Estimation Method of Space-Time Two-Dimensional Positioning Parameters Based on Hadamard Product

Directory of Open Access Journals (Sweden)

Haiwen Li

2018-01-01

Full Text Available The estimation speed of positioning parameters determines the effectiveness of the positioning system. The time of arrival (TOA and direction of arrival (DOA parameters can be estimated by the space-time two-dimensional multiple signal classification (2D-MUSIC algorithm for array antenna. However, this algorithm needs much time to complete the two-dimensional pseudo spectral peak search, which makes it difficult to apply in practice. Aiming at solving this problem, a fast estimation method of space-time two-dimensional positioning parameters based on Hadamard product is proposed in orthogonal frequency division multiplexing (OFDM system, and the Cramer-Rao bound (CRB is also presented. Firstly, according to the channel frequency domain response vector of each array, the channel frequency domain estimation vector is constructed using the Hadamard product form containing location information. Then, the autocorrelation matrix of the channel response vector for the extended array element in frequency domain and the noise subspace are calculated successively. Finally, by combining the closed-form solution and parameter pairing, the fast joint estimation for time delay and arrival direction is accomplished. The theoretical analysis and simulation results show that the proposed algorithm can significantly reduce the computational complexity and guarantee that the estimation accuracy is not only better than estimating signal parameters via rotational invariance techniques (ESPRIT algorithm and 2D matrix pencil (MP algorithm but also close to 2D-MUSIC algorithm. Moreover, the proposed algorithm also has certain adaptability to multipath environment and effectively improves the ability of fast acquisition of location parameters.

Current–voltage characteristics of manganite–titanite perovskite junctions

Directory of Open Access Journals (Sweden)

Benedikt Ifland

2015-07-01

Full Text Available After a general introduction into the Shockley theory of current voltage (J–V characteristics of inorganic and organic semiconductor junctions of different bandwidth, we apply the Shockley theory-based, one diode model to a new type of perovskite junctions with polaronic charge carriers. In particular, we studied manganite–titanate p–n heterojunctions made of n-doped SrTi1−yNbyO3, y = 0.002 and p-doped Pr1−xCaxMnO3, x = 0.34 having a strongly correlated electron system. The diffusion length of the polaron carriers was analyzed by electron beam-induced current (EBIC in a thin cross plane lamella of the junction. In the J–V characteristics, the polaronic nature of the charge carriers is exhibited mainly by the temperature dependence of the microscopic parameters, such as the hopping mobility of the series resistance and a colossal electro-resistance (CER effect in the parallel resistance. We conclude that a modification of the Shockley equation incorporating voltage-dependent microscopic polaron parameters is required. Specifically, the voltage dependence of the reverse saturation current density is analyzed and interpreted as a voltage-dependent electron–polaron hole–polaron pair generation and separation at the interface.

Properties of Griffin-Hill-Wheeler spaces - 2. one-parameters and two-conjugate parameter families of generator states

International Nuclear Information System (INIS)

Passos, E.J.V. de; Toledo Piza, A.F.R. de.

The properties of the subspaces of the many-body Hilbert space which are associated with the use of the Generator Coordinate Method (GCM) in connection with one parameter, and with two-conjugate parameter families of generator states are examined in detail. It is shown that natural orthonormal base vectors in each case are immediately related to Peierls-Voccoz and Peierls-Thouless projections respectively. Through the formal consideration of a canonical transformation to collective, P and Q, and intrinsic degrees of freedom, the properties of the GCM subspaces with respect to the kinematical separation of these degrees of freedom are discussed in detail. An application is made, using the ideas developed in this paper, a) to translation; b) to illustrate the qualitative understanting of the content of existing GCM calculations of giant ressonances in light nuclei and c) to the definition of appropriate asymptotic states in current GCM descriptions of scattering [pt

Parameter retrieval of chiral metamaterials based on the state-space approach.

Science.gov (United States)

Zarifi, Davoud; Soleimani, Mohammad; Abdolali, Ali

2013-08-01

This paper deals with the introduction of an approach for the electromagnetic characterization of homogeneous chiral layers. The proposed method is based on the state-space approach and properties of a 4×4 state transition matrix. Based on this, first, the forward problem analysis through the state-space method is reviewed and properties of the state transition matrix of a chiral layer are presented and proved as two theorems. The formulation of a proposed electromagnetic characterization method is then presented. In this method, scattering data for a linearly polarized plane wave incident normally on a homogeneous chiral slab are combined with properties of a state transition matrix and provide a powerful characterization method. The main difference with respect to other well-established retrieval procedures based on the use of the scattering parameters relies on the direct computation of the transfer matrix of the slab as opposed to the conventional calculation of the propagation constant and impedance of the modes supported by the medium. The proposed approach allows avoiding nonlinearity of the problem but requires getting enough equations to fulfill the task which was provided by considering some properties of the state transition matrix. To demonstrate the applicability and validity of the method, the constitutive parameters of two well-known dispersive chiral metamaterial structures at microwave frequencies are retrieved. The results show that the proposed method is robust and reliable.

Formation of spin-polarons in the ferromagnetic Kondo lattice model away from half-filling

International Nuclear Information System (INIS)

Arredondo, Y; Navarro, O; Vallejo, E; Avignon, M

2012-01-01

Even though realistic one-dimensional experiments in the field of half-metallic semiconductors are not at hand yet, we are interested in the underlying fundamental physics. In this regard we study a one-dimensional ferromagnetic Kondo lattice model, a model in which a conduction band is coupled ferromagnetically to a background of localized d moments with coupling constant J H , and investigate the T = 0 phase diagram as a function of the antiferromagnetic interaction J between the localized moments and the band-filling n, since it has been observed that doping of the compounds has led to formation of magnetic domains. We explore the spin-polaron formation by looking at the nearest-neighbour correlation functions in the spin and charge regimes for which we use the density matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems. (paper)

Space dependence of reactivity parameters on reactor dynamic perturbation measurements

International Nuclear Information System (INIS)

Maletti, R.; Ziegenbein, D.

1985-01-01

Practical application of reactor-dynamic perturbation measurements for on-power determination of differential reactivity weight of control rods and power coefficients of reactivity has shown a significant dependence of parameters on the position of outcore detectors. The space dependence of neutron flux signal in the core of a VVER-440-type reactor was measured by means of 60 self-powered neutron detectors. The greatest neutron flux alterations are located close to moved control rods and in height of the perturbation position. By means of computations, detector positions can be found in the core in which the one-point model is almost valid. (author)

Polaronic effects on the off-center donor impurity in AlAs/GaAs/SiO2 spherical core/shell quantum dots

Science.gov (United States)

El Haouari, M.; Feddi, E.; Dujardin, F.; Restrepo, R. L.; Mora-Ramos, M. E.; Duque, C. A.

2017-11-01

The ground state of a conduction electron coupled to an off-center impurity donor in a AlAS/GaAs spherical core/shell quantum dot is investigated theoretically. The image-charge effect and the influence of the electron-polar-LO-phonon interaction are considered. The electron-impurity binding energy is calculated via a variational procedure and is reported both as a function of the shell width and of the radial position of the donor atom. The polaronic effects on this quantity are particularly discussed.

Evasive Maneuvers in Space Debris Environment and Technological Parameters

Directory of Open Access Journals (Sweden)

Antônio D. C. Jesus

2012-01-01

Full Text Available We present a study of collisional dynamics between space debris and an operational vehicle in LEO. We adopted an approach based on the relative dynamics between the objects on a collisional course and with a short warning time and established a semianalytical solution for the final trajectories of these objects. Our results show that there are angular ranges in 3D, in addition to the initial conditions, that favor the collisions. These results allowed the investigation of a range of technological parameters for the spacecraft (e.g., fuel reserve that allow a safe evasive maneuver (e.g., time available for the maneuver. The numerical model was tested for different values of the impact velocity and relative distance between the approaching objects.

Constraining the mSUGRA (minimal supergravity) parameter space using the entropy of dark matter halos

Energy Technology Data Exchange (ETDEWEB)

Nunez, Dario; Zavala, Jesus; Nellen, Lukas; Sussman, Roberto A [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico (ICN-UNAM), AP 70-543, Mexico 04510 DF (Mexico); Cabral-Rosetti, Luis G [Departamento de Posgrado, Centro Interdisciplinario de Investigacion y Docencia en Educacion Tecnica (CIIDET), Avenida Universidad 282 Pte., Col. Centro, Apartado Postal 752, C. P. 76000, Santiago de Queretaro, Qro. (Mexico); Mondragon, Myriam, E-mail: nunez@nucleares.unam.mx, E-mail: jzavala@nucleares.unam.mx, E-mail: jzavala@shao.ac.cn, E-mail: lukas@nucleares.unam.mx, E-mail: sussman@nucleares.unam.mx, E-mail: lgcabral@ciidet.edu.mx, E-mail: myriam@fisica.unam.mx [Instituto de Fisica, Universidad Nacional Autonoma de Mexico (IF-UNAM), Apartado Postal 20-364, 01000 Mexico DF (Mexico); Collaboration: For the Instituto Avanzado de Cosmologia, IAC

2008-05-15

We derive an expression for the entropy of a dark matter halo described using a Navarro-Frenk-White model with a core. The comparison of this entropy with that of dark matter in the freeze-out era allows us to constrain the parameter space in mSUGRA models. Moreover, combining these constraints with the ones obtained from the usual abundance criterion and demanding that these criteria be consistent with the 2{sigma} bounds for the abundance of dark matter: 0.112{<=}{Omega}{sub DM}h{sup 2}{<=}0.122, we are able to clearly identify validity regions among the values of tan{beta}, which is one of the parameters of the mSUGRA model. We found that for the regions of the parameter space explored, small values of tan{beta} are not favored; only for tan {beta} Asymptotically-Equal-To 50 are the two criteria significantly consistent. In the region where the two criteria are consistent we also found a lower bound for the neutralino mass, m{sub {chi}}{>=}141 GeV.

Constraining the mSUGRA (minimal supergravity) parameter space using the entropy of dark matter halos

International Nuclear Information System (INIS)

Núñez, Darío; Zavala, Jesús; Nellen, Lukas; Sussman, Roberto A; Cabral-Rosetti, Luis G; Mondragón, Myriam

2008-01-01

We derive an expression for the entropy of a dark matter halo described using a Navarro–Frenk–White model with a core. The comparison of this entropy with that of dark matter in the freeze-out era allows us to constrain the parameter space in mSUGRA models. Moreover, combining these constraints with the ones obtained from the usual abundance criterion and demanding that these criteria be consistent with the 2σ bounds for the abundance of dark matter: 0.112≤Ω DM h 2 ≤0.122, we are able to clearly identify validity regions among the values of tanβ, which is one of the parameters of the mSUGRA model. We found that for the regions of the parameter space explored, small values of tanβ are not favored; only for tan β ≃ 50 are the two criteria significantly consistent. In the region where the two criteria are consistent we also found a lower bound for the neutralino mass, m χ ≥141 GeV

Effects of compositional defects on small polaron hopping in micas.

Science.gov (United States)

Rosso, Kevin M; Ilton, Eugene S

2005-06-22

Hartree-Fock calculations and electron transfer (ET) theory were used to model the effects of compositional defects on ET in the brucite-like octahedral sheet of mica. ET was modeled as an Fe(IIIII) valence interchange reaction across shared octahedral edges of the M2-M2 iron sublattice. The model entails the hopping of localized electrons and small polaron behavior. Hartree-Fock calculations indicate that substitution of F for structural OH bridges increases the reorganization energy lambda, decreases the electronic coupling matrix element V(AB), and thereby substantially decreases the hopping rate. The lambda increase arises from modification of the metal-ligand bond force constants, and the V(AB) decrease arises from reduction of superexchange interaction through anion bridges. Deprotonation of an OH bridge, consistent with a possible mechanism of maintaining charge neutrality during net oxidation, yields a net increase in the ET rate. Although substitution of Al or Mg for Fe in M1 sites distorts the structure of adjacent Fe-occupied M2 sites, the distortion has little net impact on ET rates through these M2 sites. Hence the main effect of Al or Mg substitution for Fe, should it occur in the M2 sublattice, is to block ET pathways. Collectively, these findings pave the way for larger-scale oxidation/reduction models to be constructed for realistic, compositionally diverse micas.

Scanning the parameter space of collapsing rotating thin shells

Science.gov (United States)

Rocha, Jorge V.; Santarelli, Raphael

2018-06-01

We present results of a comprehensive study of collapsing and bouncing thin shells with rotation, framing it in the context of the weak cosmic censorship conjecture. The analysis is based on a formalism developed specifically for higher odd dimensions that is able to describe the dynamics of collapsing rotating shells exactly. We analyse and classify a plethora of shell trajectories in asymptotically flat spacetimes. The parameters varied include the shell’s mass and angular momentum, its radial velocity at infinity, the (linear) equation-of-state parameter and the spacetime dimensionality. We find that plunges of rotating shells into black holes never produce naked singularities, as long as the matter shell obeys the weak energy condition, and so respects cosmic censorship. This applies to collapses of dust shells starting from rest or with a finite velocity at infinity. Not even shells with a negative isotropic pressure component (i.e. tension) lead to the formation of naked singularities, as long as the weak energy condition is satisfied. Endowing the shells with a positive isotropic pressure component allows for the existence of bouncing trajectories satisfying the dominant energy condition and fully contained outside rotating black holes. Otherwise any turning point occurs always inside the horizon. These results are based on strong numerical evidence from scans of numerous sections in the large parameter space available to these collapsing shells. The generalisation of the radial equation of motion to a polytropic equation-of-state for the matter shell is also included in an appendix.

A General 2D Meshless Interpolating Boundary Node Method Based on the Parameter Space

Directory of Open Access Journals (Sweden)

Hongyin Yang

2017-01-01

Full Text Available The presented study proposed an improved interpolating boundary node method (IIBNM for 2D potential problems. The improved interpolating moving least-square (IIMLS method was applied to construct the shape functions, of which the delta function properties and boundary conditions were directly implemented. In addition, any weight function used in the moving least-square (MLS method was also applicable in the IIMLS method. Boundary cells were required in the computation of the boundary integrals, and additional discretization error was not avoided if traditional cells were used to approximate the geometry. The present study applied the parametric cells created in the parameter space to preserve the exact geometry, and the geometry was maintained due to the number of cells. Only the number of nodes on the boundary was required as additional information for boundary node construction. Most importantly, the IIMLS method can be applied in the parameter space to construct shape functions without the requirement of additional computations for the curve length.

Constraining the mSUGRA parameter space through entropy and abundance criteria

International Nuclear Information System (INIS)

Cabral-Rosetti, Luis G.; Mondragon, Myriam; Nunez, Dario; Sussman, Roberto A.; Zavala, Jesus; Nellen, Lukas

2007-01-01

We explore the use of two criteria to constrain the allowed parameter space in mSUGRA models; both criteria are based in the calculation of the present density of neutralinos χ0 as Dark Matter in the Universe. The first one is the usual ''abundance'' criterion that requieres that present neutralino relic density complies with 0.0945 < ΩCDMh2 < 0.1287, which are the 2σ bounds according to WMAP. To calculate the relic density we use the public numerical code micrOMEGAS. The second criterion is the original idea presented in [3] that basically applies the microcanonical definition of entropy to a weakly interacting and self-gravitating gas, and then evaluate the change in entropy per particle of this gas between the freeze-out era and present day virialized structures. An 'entropy consistency' criterion emerges by comparing theoretical and empirical estimates of this entropy. One of the objetives of the work is to analyze the joint application of both criteria, already done in [3], to see if their results, using approximations for the calculations of the relic density, agree with the results coming from the exact numerical results of micrOMEGAS. The main objetive of the work is to use this method to constrain the parameter space in mSUGRA models that are inputs for the calculations of micrOMEGAS, and thus to get some bounds on the predictions for the SUSY spectra

The role of extreme orbits in the global organization of periodic regions in parameter space for one dimensional maps

Energy Technology Data Exchange (ETDEWEB)

Costa, Diogo Ricardo da, E-mail: diogo_cost@hotmail.com [Departamento de Física, UNESP – Universidade Estadual Paulista, Av. 24A, 1515, Bela Vista, 13506-900, Rio Claro, SP (Brazil); Hansen, Matheus [Departamento de Física, UNESP – Universidade Estadual Paulista, Av. 24A, 1515, Bela Vista, 13506-900, Rio Claro, SP (Brazil); Instituto de Física, Univ. São Paulo, Rua do Matão, Cidade Universitária, 05314-970, São Paulo – SP (Brazil); Guarise, Gustavo [Departamento de Física, UNESP – Universidade Estadual Paulista, Av. 24A, 1515, Bela Vista, 13506-900, Rio Claro, SP (Brazil); Medrano-T, Rene O. [Departamento de Ciências Exatas e da Terra, UNIFESP – Universidade Federal de São Paulo, Rua São Nicolau, 210, Centro, 09913-030, Diadema, SP (Brazil); Department of Mathematics, Imperial College London, London SW7 2AZ (United Kingdom); Leonel, Edson D. [Departamento de Física, UNESP – Universidade Estadual Paulista, Av. 24A, 1515, Bela Vista, 13506-900, Rio Claro, SP (Brazil); Abdus Salam International Center for Theoretical Physics, Strada Costiera 11, 34151 Trieste (Italy)

2016-04-22

We show that extreme orbits, trajectories that connect local maximum and minimum values of one dimensional maps, play a major role in the parameter space of dissipative systems dictating the organization for the windows of periodicity, hence producing sets of shrimp-like structures. Here we solve three fundamental problems regarding the distribution of these sets and give: (i) their precise localization in the parameter space, even for sets of very high periods; (ii) their local and global distributions along cascades; and (iii) the association of these cascades to complicate sets of periodicity. The extreme orbits are proved to be a powerful indicator to investigate the organization of windows of periodicity in parameter planes. As applications of the theory, we obtain some results for the circle map and perturbed logistic map. The formalism presented here can be extended to many other different nonlinear and dissipative systems. - Highlights: • Extreme orbits and the organization of periodic regions in parameter space. • One-dimensional dissipative mappings. • The circle map and also a time perturbed logistic map were studied.

The role of extreme orbits in the global organization of periodic regions in parameter space for one dimensional maps

International Nuclear Information System (INIS)

Costa, Diogo Ricardo da; Hansen, Matheus; Guarise, Gustavo; Medrano-T, Rene O.; Leonel, Edson D.

2016-01-01

We show that extreme orbits, trajectories that connect local maximum and minimum values of one dimensional maps, play a major role in the parameter space of dissipative systems dictating the organization for the windows of periodicity, hence producing sets of shrimp-like structures. Here we solve three fundamental problems regarding the distribution of these sets and give: (i) their precise localization in the parameter space, even for sets of very high periods; (ii) their local and global distributions along cascades; and (iii) the association of these cascades to complicate sets of periodicity. The extreme orbits are proved to be a powerful indicator to investigate the organization of windows of periodicity in parameter planes. As applications of the theory, we obtain some results for the circle map and perturbed logistic map. The formalism presented here can be extended to many other different nonlinear and dissipative systems. - Highlights: • Extreme orbits and the organization of periodic regions in parameter space. • One-dimensional dissipative mappings. • The circle map and also a time perturbed logistic map were studied.

Halogenation of Hydraulic Fracturing Additives in the Shale Well Parameter Space

Science.gov (United States)

Sumner, A. J.; Plata, D.

2017-12-01

Horizontal Drilling and Hydraulic fracturing (HDHF) involves the deep-well injection of a `fracking fluid' composed of diverse and numerous chemical additives designed to facilitate the release and collection of natural gas from shale plays. The potential impacts of HDHF operations on water resources and ecosystems are numerous, and analyses of flowback samples revealed organic compounds from both geogenic and anthropogenic sources. Furthermore, halogenated chemicals were also detected, and these compounds are rarely disclosed, suggesting the in situ halogenation of reactive additives. To test this transformation hypothesis, we designed and operated a novel high pressure and temperature reactor system to simulate the shale well parameter space and investigate the chemical reactivity of twelve commonly disclosed and functionally diverse HDHF additives. Early results revealed an unanticipated halogenation pathway of α-β unsaturated aldehyde, Cinnamaldehyde, in the presence of oxidant and concentrated brine. Ongoing experiments over a range of parameters informed a proposed mechanism, demonstrating the role of various shale-well specific parameters in enabling the demonstrated halogenation pathway. Ultimately, these results will inform a host of potentially unintended interactions of HDHF additives during the extreme conditions down-bore of a shale well during HDHF activities.

Bound magnetic polaron in Zn-rich cobalt-doped ZnSe nanowires

Science.gov (United States)

Hou, Lipeng; Pan, Longfei; Liang, Bianbian; Liu, Yuting; Zhang, Li; Bukhtiar, Arfan; Shi, Lijie; Liu, Ruibin; Zou, Bingsuo

2018-02-01

The micro-luminescence spectra of the diluted magnetic semiconductor (DMS) can reflect the spin-exciton interaction and related relaxation process. Here the micro-photoluminescence (micro-PL) spectra and PL lifetime measurements have been done on an individual ferromagnetic (FM)-coupled cobalt (Co) doped zinc selenide (ZnSe) nanowire. There occurs a double-peak profile in its near bandedge emission spectrum: the first peak is from free exciton (FX) and the second comes from magnetic polaron (MP). In their temperature dependent PL spectra, the MP emission peak demonstrates obviously temperature-independent behavior, in contrast to the behaviors of FX and reported exciton MP in nanobelt. It is found that in this Co(II) doped ZnSe nanowires, this MP’s temperature-independent emission is related to the coupling between exciton and a FM nanocluster (↑↑↓). The nanocluster is likely due to the interaction of Se vacancies of the wide bandgap semiconductors with the antiferromagnetic (AFM) arrangement transition metal (TM) ions in these Se-deficient Co doped ZnSe nanowires. These results reflect that the AFM coupling TM ions pair can give rise to FM behavior with the involvement of positive charge defect, also indicating that the micro-luminescence detection can be used to study the magnetic coupling in DMS.

Effect of alloy deformation on the average spacing parameters of non-deforming particles

International Nuclear Information System (INIS)

Fisher, J.; Gurland, J.

1980-02-01

It is shown on the basis of stereological definitions and a few simple experiments that the commonly used average dispersion parameters, area fraction (A/sub A/)/sub β/, areal particle density N/sub Aβ/ and mean free path lambda/sub α/, remain invariant during plastic deformation in the case of non-deforming equiaxed particles. Directional effects on the spacing parameters N/sub Aβ/ and lambda/sub α/ arise during uniaxial deformation by rotation and preferred orientation of nonequiaxed particles. Particle arrangement in stringered or layered structures and the effect of deformation on nearest neighbor distances of particles and voids are briefly discussed in relation to strength and fracture theories

Imaging space charge regions in Sm-doped ceria using electrochemical strain microscopy

International Nuclear Information System (INIS)

Chen, Qian Nataly; Li, Jiangyu; Adler, Stuart B.

2014-01-01

Nanocrystalline ceria exhibits a total conductivity several orders of magnitude higher than microcrystalline ceria in air at high temperature. The most widely accepted theory for this enhancement (based on fitting of conductivity data to various transport and kinetic models) is that relatively immobile positively charged defects and/or impurities accumulate at the grain boundary core, leading to a counterbalancing increase in the number of mobile electrons (small polarons) within a diffuse space charge region adjacent to each grain boundary. In an effort to validate this model, we have applied electrochemical strain microscopy to image the location and relative population of mobile electrons near grain boundaries in polycrystalline Sm-doped ceria in air at 20–200 °C. Our results show the first direct (spatially resolved) evidence that such a diffuse space charge region does exist in ceria, and is localized to both grain boundaries and the gas-exposed surface

Imaging space charge regions in Sm-doped ceria using electrochemical strain microscopy

Energy Technology Data Exchange (ETDEWEB)

Chen, Qian Nataly; Li, Jiangyu, E-mail: jjli@uw.edu [Department of Mechanical Engineering, University of Washington, Seattle, Washington 98195 (United States); Adler, Stuart B., E-mail: stuadler@uw.edu [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195 (United States)

2014-11-17

Nanocrystalline ceria exhibits a total conductivity several orders of magnitude higher than microcrystalline ceria in air at high temperature. The most widely accepted theory for this enhancement (based on fitting of conductivity data to various transport and kinetic models) is that relatively immobile positively charged defects and/or impurities accumulate at the grain boundary core, leading to a counterbalancing increase in the number of mobile electrons (small polarons) within a diffuse space charge region adjacent to each grain boundary. In an effort to validate this model, we have applied electrochemical strain microscopy to image the location and relative population of mobile electrons near grain boundaries in polycrystalline Sm-doped ceria in air at 20–200 °C. Our results show the first direct (spatially resolved) evidence that such a diffuse space charge region does exist in ceria, and is localized to both grain boundaries and the gas-exposed surface.

The effect of environmental parameters to dust concentration in air-conditioned space

Science.gov (United States)

Ismail, A. M. M.; Manssor, N. A. S.; Nalisa, A.; Yahaya, N.

2017-08-01

Malaysia has a wet and hot climate, therefore most of the spaces are air conditioned. The environment might affect dust concentration inside a space and affect the indoor air quality (IAQ). The main objective of this study is to study the dust concentration collected inside enclosed air-conditioned space. The measurement was done physically at four selected offices and two classrooms using a number of equipment to measure the dust concentration and environmental parameters which are temperature and relative air humidity. It was found that the highest dust concentration produced in office (temperature of 24.7°C, relative humidity of 66.5%) is 0.075 mg/m3, as compared to classroom, the highest dust concentration produced is 0.060 mg/m3 office (temperature of 25.9°C, relative humidity of 64.0%). However, both measurements show that value still within the safety level set by DOSH Malaysia (2005-2010) and ASHRAE 62.2 2016. The office contained higher dust concentration compared to classroom because of frequent movement transpires daily due to the functional of the offices.

Theoretical and experimental study of AC electrical conduction mechanism in the low temperature range of p-CuIn3Se5

Science.gov (United States)

Essaleh, L.; Amhil, S.; Wasim, S. M.; Marín, G.; Choukri, E.; Hajji, L.

2018-05-01

In the present work, an attempt has been made to study theoretically and experimentally the AC electrical conduction mechanism in disordered semiconducting materials. The key parameter considered in this analysis is the frequency exponent s(ω , T) =( ∂ln(σAC(ω , T))/∂ ln(ω)T , where σAC is the AC electrical conductivity that depends on angular frequency ω and temperature T. In the theoretical part of this work, the effect of the barrier hopping energy, the polaron radius and the characteristic relaxation time is considered. The theoretical models of Quantum Mechanical Tunneling (QMT), Non overlapping Small Polaron Tunneling (NSPT), Overlapping Large Polaron Tunneling (OLPT) and Correlated Barrier Hopping (CBH) are considered to fit experimental data of σAC in p-CuIn3Se5 (p-CIS135) in the low temperature range up to 96 K. Some important parameters, as the polaron radius, the localization length and the barrier hopping energies, are estimated and their temperature and frequency dependence discussed.

Interband optical absorption in the Wannier-Stark ladder under the electron-LO-phonon resonance condition

International Nuclear Information System (INIS)

Govorov, A.O.

1993-08-01

Interband optical absorption in the Wannier-Stark ladder in the presence of the electron-LO-phonon resonance is investigated theoretically. The electron-LO-phonon resonance occurs when the energy spacing between adjacent Stark-ladder levels coincides with the LO-phonon energy. We propose a model describing the polaron effect in a superlattice. Calculations show that the absorption line shape is strongly modified due to the polaron effect under the electron-LO-phonon resonance condition. We consider optical phenomena in a normal magnetic field that leads to enhancement of polaron effects. (author). 17 refs, 5 figs

A disordered polaron model for polarized fluorescence excitation spectra of LH1 and LH2 bacteriochlorophyll antenna aggregates

International Nuclear Information System (INIS)

Trinkunas, Gediminas; Freiberg, Arvi

2006-01-01

Excitonic polarons in antenna complexes are subject to static lattice disorder. A model has been developed to analyze polarized fluorescence excitation spectra of circular light-harvesting complexes from purple photosynthetic bacteria containing bacteriochlorophyll as the main photoactive pigment that includes both diagonal (energetic) and off-diagonal (structural) disorders. Essential differences of disorder realizations seem to exist between the core LH1 and peripheral LH2 complexes from the bacterium Rhodobacter sphaeroides. The disorder in LH1 appears to be dominated by the structural disorder, while that in LH2, by energetic one. These differences may be due to relatively bigger size of the LH1 complex and, consequently, with its enhanced structural flexibility

Fast estimation of space-robots inertia parameters: A modular mathematical formulation

Science.gov (United States)

Nabavi Chashmi, Seyed Yaser; Malaek, Seyed Mohammad-Bagher

2016-10-01

This work aims to propose a new technique that considerably helps enhance time and precision needed to identify ;Inertia Parameters (IPs); of a typical Autonomous Space-Robot (ASR). Operations might include, capturing an unknown Target Space-Object (TSO), ;active space-debris removal; or ;automated in-orbit assemblies;. In these operations generating precise successive commands are essential to the success of the mission. We show how a generalized, repeatable estimation-process could play an effective role to manage the operation. With the help of the well-known Force-Based approach, a new ;modular formulation; has been developed to simultaneously identify IPs of an ASR while it captures a TSO. The idea is to reorganize the equations with associated IPs with a ;Modular Set; of matrices instead of a single matrix representing the overall system dynamics. The devised Modular Matrix Set will then facilitate the estimation process. It provides a conjugate linear model in mass and inertia terms. The new formulation is, therefore, well-suited for ;simultaneous estimation processes; using recursive algorithms like RLS. Further enhancements would be needed for cases the effect of center of mass location becomes important. Extensive case studies reveal that estimation time is drastically reduced which in-turn paves the way to acquire better results.

Hadronic total cross-sections through soft gluon summation in impact parameter space

International Nuclear Information System (INIS)

Grau, A.

1999-01-01

IThe Bloch-Nordsieck model for the parton distribution of hadrons in impact parameter space, constructed using soft gluon summation, is investigated in detail. Its dependence upon the infrared structure of the strong coupling constant α s is discussed, both for finite as well as singular, but integrable, α s . The formalism is applied to the prediction of total proton-proton and proton-antiproton cross-sections, where screening, due to soft gluon emission from the initial valence quarks, becomes evident

Effect of solar wind plasma parameters on space weather

International Nuclear Information System (INIS)

Rathore, Balveer S.; Gupta, Dinesh C.; Kaushik, Subhash C.

2015-01-01

Today's challenge for space weather research is to quantitatively predict the dynamics of the magnetosphere from measured solar wind and interplanetary magnetic field (IMF) conditions. Correlative studies between geomagnetic storms (GMSs) and the various interplanetary (IP) field/plasma parameters have been performed to search for the causes of geomagnetic activity and develop models for predicting the occurrence of GMSs, which are important for space weather predictions. We find a possible relation between GMSs and solar wind and IMF parameters in three different situations and also derived the linear relation for all parameters in three situations. On the basis of the present statistical study, we develop an empirical model. With the help of this model, we can predict all categories of GMSs. This model is based on the following fact: the total IMF B total can be used to trigger an alarm for GMSs, when sudden changes in total magnetic field B total occur. This is the first alarm condition for a storm's arrival. It is observed in the present study that the southward B z component of the IMF is an important factor for describing GMSs. A result of the paper is that the magnitude of B z is maximum neither during the initial phase (at the instant of the IP shock) nor during the main phase (at the instant of Disturbance storm time (Dst) minimum). It is seen in this study that there is a time delay between the maximum value of southward B z and the Dst minimum, and this time delay can be used in the prediction of the intensity of a magnetic storm two-three hours before the main phase of a GMS. A linear relation has been derived between the maximum value of the southward component of B z and the Dst, which is Dst = (−0.06) + (7.65) B z +t. Some auxiliary conditions should be fulfilled with this, for example the speed of the solar wind should, on average, be 350 km s −1 to 750 km s −1 , plasma β should be low and, most importantly, plasma temperature

Laser dimpling process parameters selection and optimization using surrogate-driven process capability space

Science.gov (United States)

Ozkat, Erkan Caner; Franciosa, Pasquale; Ceglarek, Dariusz

2017-08-01

Remote laser welding technology offers opportunities for high production throughput at a competitive cost. However, the remote laser welding process of zinc-coated sheet metal parts in lap joint configuration poses a challenge due to the difference between the melting temperature of the steel (∼1500 °C) and the vapourizing temperature of the zinc (∼907 °C). In fact, the zinc layer at the faying surface is vapourized and the vapour might be trapped within the melting pool leading to weld defects. Various solutions have been proposed to overcome this problem over the years. Among them, laser dimpling has been adopted by manufacturers because of its flexibility and effectiveness along with its cost advantages. In essence, the dimple works as a spacer between the two sheets in lap joint and allows the zinc vapour escape during welding process, thereby preventing weld defects. However, there is a lack of comprehensive characterization of dimpling process for effective implementation in real manufacturing system taking into consideration inherent changes in variability of process parameters. This paper introduces a methodology to develop (i) surrogate model for dimpling process characterization considering multiple-inputs (i.e. key control characteristics) and multiple-outputs (i.e. key performance indicators) system by conducting physical experimentation and using multivariate adaptive regression splines; (ii) process capability space (Cp-Space) based on the developed surrogate model that allows the estimation of a desired process fallout rate in the case of violation of process requirements in the presence of stochastic variation; and, (iii) selection and optimization of the process parameters based on the process capability space. The proposed methodology provides a unique capability to: (i) simulate the effect of process variation as generated by manufacturing process; (ii) model quality requirements with multiple and coupled quality requirements; and (iii

On the identification of multiple space dependent ionic parameters in cardiac electrophysiology modelling

Science.gov (United States)

Abidi, Yassine; Bellassoued, Mourad; Mahjoub, Moncef; Zemzemi, Nejib

2018-03-01

In this paper, we consider the inverse problem of space dependent multiple ionic parameters identification in cardiac electrophysiology modelling from a set of observations. We use the monodomain system known as a state-of-the-art model in cardiac electrophysiology and we consider a general Hodgkin-Huxley formalism to describe the ionic exchanges at the microscopic level. This formalism covers many physiological transmembrane potential models including those in cardiac electrophysiology. Our main result is the proof of the uniqueness and a Lipschitz stability estimate of ion channels conductance parameters based on some observations on an arbitrary subdomain. The key idea is a Carleman estimate for a parabolic operator with multiple coefficients and an ordinary differential equation system.

Moving to continuous facial expression space using the MPEG-4 facial definition parameter (FDP) set

Science.gov (United States)

Karpouzis, Kostas; Tsapatsoulis, Nicolas; Kollias, Stefanos D.

2000-06-01

Research in facial expression has concluded that at least six emotions, conveyed by human faces, are universally associated with distinct expressions. Sadness, anger, joy, fear, disgust and surprise are categories of expressions that are recognizable across cultures. In this work we form a relation between the description of the universal expressions and the MPEG-4 Facial Definition Parameter Set (FDP). We also investigate the relation between the movement of basic FDPs and the parameters that describe emotion-related words according to some classical psychological studies. In particular Whissel suggested that emotions are points in a space, which seem to occupy two dimensions: activation and evaluation. We show that some of the MPEG-4 Facial Animation Parameters (FAPs), approximated by the motion of the corresponding FDPs, can be combined by means of a fuzzy rule system to estimate the activation parameter. In this way variations of the six archetypal emotions can be achieved. Moreover, Plutchik concluded that emotion terms are unevenly distributed through the space defined by dimensions like Whissel's; instead they tend to form an approximately circular pattern, called 'emotion wheel,' modeled using an angular measure. The 'emotion wheel' can be defined as a reference for creating intermediate expressions from the universal ones, by interpolating the movement of dominant FDP points between neighboring basic expressions. By exploiting the relation between the movement of the basic FDP point and the activation and angular parameters we can model more emotions than the primary ones and achieve efficient recognition in video sequences.

Non-Abelian monopole in the parameter space of point-like interactions

International Nuclear Information System (INIS)

Ohya, Satoshi

2014-01-01

We study non-Abelian geometric phase in N=2 supersymmetric quantum mechanics for a free particle on a circle with two point-like interactions at antipodal points. We show that non-Abelian Berry’s connection is that of SU(2) magnetic monopole discovered by Moody, Shapere and Wilczek in the context of adiabatic decoupling limit of diatomic molecule. - Highlights: • Supersymmetric quantum mechanics is an ideal playground for studying geometric phase. • We determine the parameter space of supersymmetric point-like interactions. • Berry’s connection is given by a Wu–Yang-like magnetic monopole in SU(2) Yang–Mills

Experimental manifestations of the Nb.sup.4+./sup.-O.sup.-./sup. polaronic excitons in KTa.sub.0.988./sub.Nb.sub.0.012./sub.O.sub.3./sub..

Czech Academy of Sciences Publication Activity Database

Yusupov, R.V.; Gracheva, I.N.; Rodionov, A.A.; Syrnikov, P. P.; Gubaev, A. I.; Dejneka, Alexandr; Jastrabík, Lubomír; Trepakov, V.A.; Salakhov, M.K.

2011-01-01

Roč. 84, č. 17 (2011), 174118/1-174118/7 ISSN 1098-0121 R&D Projects: GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522 Keywords : photoinduced EPR * Nb 4+ -O - polaronic excitons * KTa 0.988 Nb 0.012 O 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.691, year: 2011

Exploiting Auto-Collimation for Real-Time Onboard Monitoring of Space Optical Camera Geometric Parameters

Science.gov (United States)

Liu, W.; Wang, H.; Liu, D.; Miu, Y.

2018-05-01

Precise geometric parameters are essential to ensure the positioning accuracy for space optical cameras. However, state-of-the-art onorbit calibration method inevitably suffers from long update cycle and poor timeliness performance. To this end, in this paper we exploit the optical auto-collimation principle and propose a real-time onboard calibration scheme for monitoring key geometric parameters. Specifically, in the proposed scheme, auto-collimation devices are first designed by installing collimated light sources, area-array CCDs, and prisms inside the satellite payload system. Through utilizing those devices, the changes in the geometric parameters are elegantly converted into changes in the spot image positions. The variation of geometric parameters can be derived via extracting and processing the spot images. An experimental platform is then set up to verify the feasibility and analyze the precision index of the proposed scheme. The experiment results demonstrate that it is feasible to apply the optical auto-collimation principle for real-time onboard monitoring.

Frequentist analysis of the parameter space of minimal supergravity

Energy Technology Data Exchange (ETDEWEB)

Buchmueller, O.; Colling, D. [Imperial College, London (United Kingdom). High Energy Physics Group; Cavanaugh, R. [Fermi National Accelerator Laboratory, Batavia, IL (United States); Illinois Univ., Chicago, IL (US). Physics Dept.] (and others)

2010-12-15

We make a frequentist analysis of the parameter space of minimal supergravity (mSUGRA), in which, as well as the gaugino and scalar soft supersymmetry-breaking parameters being universal, there is a specific relation between the trilinear, bilinear and scalar supersymmetry-breaking parameters, A{sub 0}=B{sub 0}+m{sub 0}, and the gravitino mass is fixed by m{sub 3/2}=m{sub 0}. We also consider a more general model, in which the gravitino mass constraint is relaxed (the VCMSSM). We combine in the global likelihood function the experimental constraints from low-energy electroweak precision data, the anomalous magnetic moment of the muon, the lightest Higgs boson mass M{sub h}, B physics and the astrophysical cold dark matter density, assuming that the lightest supersymmetric particle (LSP) is a neutralino. In the VCMSSM, we find a preference for values of m{sub 1/2} and m{sub 0} similar to those found previously in frequentist analyses of the constrained MSSM (CMSSM) and a model with common non-universal Higgs masses (NUHM1). On the other hand, in mSUGRA we find two preferred regions: one with larger values of both m{sub 1/2} and m{sub 0} than in the VCMSSM, and one with large m{sub 0} but small m{sub 1/2}. We compare the probabilities of the frequentist fits in mSUGRA, the VCMSSM, the CMSSM and the NUHM1: the probability that mSUGRA is consistent with the present data is significantly less than in the other models. We also discuss the mSUGRA and VCMSSM predictions for sparticle masses and other observables, identifying potential signatures at the LHC and elsewhere. (orig.)

Light-induced EPR study of charge transfer in P3HT/bis-PCBM bulk heterojunctions

Directory of Open Access Journals (Sweden)

Victor I. Krinichnyi

2011-06-01

Full Text Available Radical pairs, polarons and fullerene anion radicals photoinduced by photons with energy of 1.98 – 2.73 eV in bulk heterojunctions formed by poly(3-hexylthiophene (P3HT with bis(1-[3-(methoxycarbonylpropyl]-1-phenyl-[6.6]C62 (bis-PCBM fullerene derivative have been studied by direct light-induced EPR (LEPR method in a wide temperature range. A part of photoinduced polarons are pinned in trap sites which number and depth are governed by an ordering of the polymer/fullerene system and energy of initiating photons. It was shown that dynamics and recombination of mobile polarons and counter fullerene anion radicals are governed by their exchange- and multi-trap assisted diffusion. Relaxation and dynamics parameters of both the charge carriers were determined separately by the steady-state saturation method. These parameters are governed by structure and conformation of the carriers’ microenvironment as well as by the energy of irradiating photons. Longitudinal diffusion of polarons was shown to depend on lattice phonons of crystalline domains embedded into an amorphous polymer matrix. The energy barrier required for polaron interchain hopping is higher than that its intrachain diffusion. Pseudorotation of fullerene derivatives in a polymer matrix was shown to follow the activation Pike model.

The MSSM Parameter Space with Non-Universal Higgs Masses

CERN Document Server

Ellis, Jonathan Richard; Santoso, Y; Ellis, John; Olive, Keith A.; Santoso, Yudi

2002-01-01

Without assuming that Higgs masses have the same values as other scalar masses at the input GUT scale, we combine constraints on the minimal supersymmetric extension of the Standard Model (MSSM) coming from the cold dark matter density with the limits from direct searches at accelerators such as LEP, indirect measurements such as b to s gamma decay and the anomalous magnetic moment of the muon. The requirement that Higgs masses-squared be positive at the GUT scale imposes important restrictions on the MSSM parameter space, as does the requirement that the LSP be neutral. We analyze the interplay of these constraints in the (mu, m_A), (mu, m_{1/2}), (m_{1/2}, m_0) and (m_A, tan beta) planes. These exhibit new features not seen in the corresponding planes in the constrained MSSM in which universality is extended to Higgs masses.

The effect of correlations on the non-ohmic behavior of the small-polaron hopping conductivity in 1D and 3D disordered systems

International Nuclear Information System (INIS)

Dimakogianni, M; Triberis, G P

2010-01-01

According to percolation theory the investigation of charge transport in disordered systems is equivalent to the study of the possibility of the passage of the carriers through a random network of impedances which interconnect the different lattice sites. When the site energies are not the same, the energy of a site affects the incoming as well as the outgoing impedances connected to the given site and this gives rise to correlations between neighboring impedances. This new condition characterizes the transport process and imposes the evaluation of the average number of sites accessible by a bond from a given site for all possible configurations of sites that satisfy the percolation condition. The generalized molecular crystal model, appropriate for the study of small-polaron hopping transport in disordered systems, and the Kubo formula permit the evaluation of these impedances. Taking correlations into account, theoretical percolation considerations applicable to one-dimensional and three-dimensional disordered systems, lead to analytical expressions for the temperature and electric field dependence of the DC conductivity at high (multi-phonon-assisted hopping) and low (few-phonon-assisted hopping) temperatures. The theoretical analysis reveals the effect of correlations on the non-ohmic behavior of the small-polaron hopping conductivity and permits the evaluation of the maximum hopping distance. Quantitative estimates of this effect are presented comparing the theoretical results, including correlations with those ignoring them, previously reported, applying them to recent experimental data for a wide temperature range and from low up to moderate electric fields.

Application of separable parameter space techniques to multi-tracer PET compartment modeling

International Nuclear Information System (INIS)

Zhang, Jeff L; Michael Morey, A; Kadrmas, Dan J

2016-01-01

Multi-tracer positron emission tomography (PET) can image two or more tracers in a single scan, characterizing multiple aspects of biological functions to provide new insights into many diseases. The technique uses dynamic imaging, resulting in time-activity curves that contain contributions from each tracer present. The process of separating and recovering separate images and/or imaging measures for each tracer requires the application of kinetic constraints, which are most commonly applied by fitting parallel compartment models for all tracers. Such multi-tracer compartment modeling presents challenging nonlinear fits in multiple dimensions. This work extends separable parameter space kinetic modeling techniques, previously developed for fitting single-tracer compartment models, to fitting multi-tracer compartment models. The multi-tracer compartment model solution equations were reformulated to maximally separate the linear and nonlinear aspects of the fitting problem, and separable least-squares techniques were applied to effectively reduce the dimensionality of the nonlinear fit. The benefits of the approach are then explored through a number of illustrative examples, including characterization of separable parameter space multi-tracer objective functions and demonstration of exhaustive search fits which guarantee the true global minimum to within arbitrary search precision. Iterative gradient-descent algorithms using Levenberg–Marquardt were also tested, demonstrating improved fitting speed and robustness as compared to corresponding fits using conventional model formulations. The proposed technique overcomes many of the challenges in fitting simultaneous multi-tracer PET compartment models. (paper)

Bipolarons in one-dimensional extended Peierls-Hubbard models

Science.gov (United States)

Sous, John; Chakraborty, Monodeep; Krems, Roman; Berciu, Mona

2017-04-01

We study two particles in an infinite chain and coupled to phonons by interactions that modulate their hopping as described by the Peierls/Su-Schrieffer-Heeger (SSH) model. In the case of hard-core bare particles, we show that exchange of phonons generates effective nearest-neighbor repulsion between particles and also gives rise to interactions that move the pair as a whole. The two-polaron phase diagram exhibits two sharp transitions, leading to light dimers at strong coupling and the flattening of the dimer dispersion at some critical values of the parameters. This dimer (quasi)self-trapping occurs at coupling strengths where single polarons are mobile. On the other hand, in the case of soft-core particles/ spinfull fermions, we show that phonon-mediated interactions are attractive and result in strongly bound and mobile bipolarons in a wide region of parameter space. This illustrates that, depending on the strength of the phonon-mediated interactions and statistics of bare particles, the coupling to phonons may completely suppress or strongly enhance quantum transport of correlated particles. This work was supported by NSERC of Canada and the Stewart Blusson Quantum Matter Institute.

Multiplicity distributions in impact parameter space

International Nuclear Information System (INIS)

Wakano, Masami

1976-01-01

A definition for the average multiplicity of pions as a function of momentum transfer and total energy in the high energy proton-proton collisions is proposed by using the n-pion production differential cross section with the given momentum transfer from a proton to other final products and the given energy of the latter. Contributions from nondiffractive and diffractive processes are formulated in a multi-Regge model. We define a relationship between impact parameter and momentum transfer in the sense of classical theory for inelastic processes and we obtain the average multiplicity of pions as a function of impact parameter and total energy from the corresponding quantity afore-mentioned. By comparing this quantity with the square root of the opaqueness at given impact parameter, we conclude that the overlap of localized constituents is important in determining the opaqueness at given impact parameter in a collision of two hadrons. (auth.)

Exploring the triplet parameters space to optimise the final focus of the FCC-hh

CERN Document Server

AUTHOR|(CDS)2141109; Abelleira, Jose; Seryi, Andrei; Cruz Alaniz, Emilia

2017-01-01

One of the main challenges when designing final focus systems of particle accelerators is maximising the beam stay clear in the strong quadrupole magnets of the inner triplet. Moreover it is desirable to keep the quadrupoles in the triplet as short as possible for space and costs reasons but also to reduce chromaticity and simplify corrections schemes. An algorithm that explores the triplet parameter space to optimise both these aspects was written. It uses thin lenses as a first approximation and MADX for more precise calculations. In cooperation with radiation studies, this algorithm was then applied to design an alternative triplet for the final focus of the Future Circular Collider (FCC-hh).

Constraints on pre-big-bang parameter space from CMBR anisotropies

International Nuclear Information System (INIS)

Bozza, V.; Gasperini, M.; Giovannini, M.; Veneziano, G.

2003-01-01

The so-called curvaton mechanism--a way to convert isocurvature perturbations into adiabatic ones--is investigated both analytically and numerically in a pre-big-bang scenario where the role of the curvaton is played by a sufficiently massive Kalb-Ramond axion of superstring theory. When combined with observations of CMBR anisotropies at large and moderate angular scales, the present analysis allows us to constrain quite considerably the parameter space of the model: in particular, the initial displacement of the axion from the minimum of its potential and the rate of evolution of the compactification volume during pre-big-bang inflation. The combination of theoretical and experimental constraints favors a slightly blue spectrum of scalar perturbations, and/or a value of the string scale in the vicinity of the SUSY GUT scale

Constraints on pre-big bang parameter space from CMBR anisotropies

CERN Document Server

Bozza, Valerio; Giovannini, Massimo; Veneziano, Gabriele

2003-01-01

The so-called curvaton mechanism --a way to convert isocurvature perturbations into adiabatic ones-- is investigated both analytically and numerically in a pre-big bang scenario where the role of the curvaton is played by a sufficiently massive Kalb--Ramond axion of superstring theory. When combined with observations of CMBR anisotropies at large and moderate angular scales, the present analysis allows us to constrain quite considerably the parameter space of the model: in particular, the initial displacement of the axion from the minimum of its potential and the rate of evolution of the compactification volume during pre-big bang inflation. The combination of theoretical and experimental constraints favours a slightly blue spectrum of scalar perturbations, and/or a value of the string scale in the vicinity of the SUSY-GUT scale.

Electronic polarizability, optical basicity and interaction parameter for Nd2O3 doped lithium-zinc-phosphate glasses

Science.gov (United States)

Algradee, M. A.; Sultan, M.; Samir, O. M.; Alwany, A. Elwhab B.

2017-08-01

The Nd3+-doped lithium-zinc-phosphate glasses were prepared by means of conventional melt quenching method. X-ray diffraction results confirmed the glassy nature of the studied glasses. The physical parameters such as the density, molar volume, ion concentration, polaron radius, inter-ionic distance, field strength and oxygen packing density were calculated using different formulae. The transmittance and reflectance spectra of glasses were recorded in the wavelength range 190-1200 nm. The values of optical band gap and Urbach energy were determined based on Mott-Davis model. The refractive indices for the studied glasses were evaluated from optical band gap values using different methods. The average electronic polarizability of the oxide ions, optical basicity and an interaction parameter were investigated from the calculated values of the refractive index and the optical band gap for the studied glasses. The variations in the different physical and optical properties of glasses with Nd2O3 content were discussed in terms of different parameters such as non-bridging oxygen and different concentrations of Nd cation in glass system.

A morphing technique for signal modelling in a multidimensional space of coupling parameters

CERN Document Server

The ATLAS collaboration

2015-01-01

This note describes a morphing method that produces signal models for fits to data in which both the affected event yields and kinematic distributions are simultaneously taken into account. The signal model is morphed in a continuous manner through the available multi-dimensional parameter space. Searches for deviations from Standard Model predictions for Higgs boson properties have so far used information either from event yields or kinematic distributions. The combined approach described here is expected to substantially enhance the sensitivity to beyond the Standard Model contributions.

The role of extreme orbits in the global organization of periodic regions in parameter space for one dimensional maps

Science.gov (United States)

da Costa, Diogo Ricardo; Hansen, Matheus; Guarise, Gustavo; Medrano-T, Rene O.; Leonel, Edson D.

2016-04-01

We show that extreme orbits, trajectories that connect local maximum and minimum values of one dimensional maps, play a major role in the parameter space of dissipative systems dictating the organization for the windows of periodicity, hence producing sets of shrimp-like structures. Here we solve three fundamental problems regarding the distribution of these sets and give: (i) their precise localization in the parameter space, even for sets of very high periods; (ii) their local and global distributions along cascades; and (iii) the association of these cascades to complicate sets of periodicity. The extreme orbits are proved to be a powerful indicator to investigate the organization of windows of periodicity in parameter planes. As applications of the theory, we obtain some results for the circle map and perturbed logistic map. The formalism presented here can be extended to many other different nonlinear and dissipative systems.

Parameter space of general gauge mediation

International Nuclear Information System (INIS)

Rajaraman, Arvind; Shirman, Yuri; Smidt, Joseph; Yu, Felix

2009-01-01

We study a subspace of General Gauge Mediation (GGM) models which generalize models of gauge mediation. We find superpartner spectra that are markedly different from those of typical gauge and gaugino mediation scenarios. While typical gauge mediation predictions of either a neutralino or stau next-to-lightest supersymmetric particle (NLSP) are easily reproducible with the GGM parameters, chargino and sneutrino NLSPs are generic for many reasonable choices of GGM parameters.

Kinetic Monte Carlo Study of Ambipolar Lithium Ion and Electron-Polaron Diffusion into Nanostructured TiO2

International Nuclear Information System (INIS)

Yu, Jianguo; Sushko, Maria L.; Kerisit, Sebastien N.; Rosso, Kevin M.; Liu, Jun

2012-01-01

Nanostructured titania (TiO2) polymorphs have proved to be promising electrode materials for next generation lithium-ion batteries. However, there is still a lack of understanding of the fundamental microscopic processes that control charge transport in these materials. Here we present microscopic simulations of the collective dynamics of lithium-ion (Li+) and charge compensating electron polarons (e-) in rutile TiO2 nanoparticles in contact with idealized conductive matrix and electrolyte. Kinetic Monte Carlo simulations are used, parameterized by molecular dynamics-based predictions of activation energy barriers for Li+ and e- diffusion. Simulations reveal the central role of electrostatic coupling between Li+ and e- on their collective drift diffusion at the nanoscale. They also demonstrate that high contact area between conductive matrix and rutile nanoparticles leads to undesirable coupling-induced surface saturation effects during Li+ insertion, which limits the overall capacity and conductivity of the material. These results help provide guidelines for design of nanostructured electrode materials with improved electrochemical performance.

Application of parameters space analysis tools for empirical model validation

Energy Technology Data Exchange (ETDEWEB)

Paloma del Barrio, E. [LEPT-ENSAM UMR 8508, Talence (France); Guyon, G. [Electricite de France, Moret-sur-Loing (France)

2004-01-01

A new methodology for empirical model validation has been proposed in the framework of the Task 22 (Building Energy Analysis Tools) of the International Energy Agency. It involves two main steps: checking model validity and diagnosis. Both steps, as well as the underlying methods, have been presented in the first part of the paper. In this part, they are applied for testing modelling hypothesis in the framework of the thermal analysis of an actual building. Sensitivity analysis tools have been first used to identify the parts of the model that can be really tested on the available data. A preliminary diagnosis is then supplied by principal components analysis. Useful information for model behaviour improvement has been finally obtained by optimisation techniques. This example of application shows how model parameters space analysis is a powerful tool for empirical validation. In particular, diagnosis possibilities are largely increased in comparison with residuals analysis techniques. (author)

Electronic polarizability, optical basicity and interaction parameter for Nd{sub 2}O{sub 3} doped lithium-zinc-phosphate glasses

Energy Technology Data Exchange (ETDEWEB)

Algradee, M.A.; Sultan, M.; Samir, O.M.; Alwany, A.E.B. [Ibb University, Department of Physics, Faculty of Science, Ibb (Yemen)

2017-08-15

The Nd{sup 3+}-doped lithium-zinc-phosphate glasses were prepared by means of conventional melt quenching method. X-ray diffraction results confirmed the glassy nature of the studied glasses. The physical parameters such as the density, molar volume, ion concentration, polaron radius, inter-ionic distance, field strength and oxygen packing density were calculated using different formulae. The transmittance and reflectance spectra of glasses were recorded in the wavelength range 190-1200 nm. The values of optical band gap and Urbach energy were determined based on Mott-Davis model. The refractive indices for the studied glasses were evaluated from optical band gap values using different methods. The average electronic polarizability of the oxide ions, optical basicity and an interaction parameter were investigated from the calculated values of the refractive index and the optical band gap for the studied glasses. The variations in the different physical and optical properties of glasses with Nd{sub 2}O{sub 3} content were discussed in terms of different parameters such as non-bridging oxygen and different concentrations of Nd cation in glass system. (orig.)

Exploring Polaronic, Excitonic Structures and Luminescence in Cs4PbBr6/CsPbBr3.

Science.gov (United States)

Kang, Byungkyun; Biswas, Koushik

2018-02-15

Among the important family of halide perovskites, one particular case of all-inorganic, 0-D Cs 4 PbBr 6 and 3-D CsPbBr 3 -based nanostructures and thin films is witnessing intense activity due to ultrafast luminescence with high quantum yield. To understand their emissive behavior, we use hybrid density functional calculations to first compare the ground-state electronic structure of the two prospective compounds. The dispersive band edges of CsPbBr 3 do not support self-trapped carriers, which agrees with reports of weak exciton binding energy and high photocurrent. The larger gap 0-D material Cs 4 PbBr 6 , however, reveals polaronic and excitonic features. We show that those lattice-coupled carriers are likely responsible for observed ultraviolet emission around ∼375 nm, reported in bulk Cs 4 PbBr 6 and Cs 4 PbBr 6 /CsPbBr 3 composites. Ionization potential calculations and estimates of type-I band alignment support the notion of quantum confinement leading to fast, green emission from CsPbBr 3 nanostructures embedded in Cs 4 PbBr 6 .

Optical transition energy of magneto-polaron in a GaAs{sub 0.9}P{sub 0.1}/GaAs{sub 0.6}P{sub 0.4} quantum dot

Energy Technology Data Exchange (ETDEWEB)

Vinolin, Ada [Dept. of Physics, Madurai Kamaraj University College, Alagarkoil Road, Madurai-625002. India (India); Peter, A. John, E-mail: a.john.peter@gmail.com [Dept. of Physics, Govt. Arts College, Melur-625106. Madurai. India (India)

2015-06-24

Magneto-LO-polaron in a cylindrical GaAs{sub 0.9} P{sub 0.1} / GaAs{sub 0.6} P{sub 0.4} quantum dot is investigated taking into consideration of geometrical confinement effect. The effects of phonon on the exciton binding energy and the interband emission energy as a function of dot radius are found. The calculations are performed within the single band effective mass approximation using the variational method based on the Lee-Low-Pine LLP transformation.

Estimating mutation parameters, population history and genealogy simultaneously from temporally spaced sequence data.

Science.gov (United States)

Drummond, Alexei J; Nicholls, Geoff K; Rodrigo, Allen G; Solomon, Wiremu

2002-07-01

Molecular sequences obtained at different sampling times from populations of rapidly evolving pathogens and from ancient subfossil and fossil sources are increasingly available with modern sequencing technology. Here, we present a Bayesian statistical inference approach to the joint estimation of mutation rate and population size that incorporates the uncertainty in the genealogy of such temporally spaced sequences by using Markov chain Monte Carlo (MCMC) integration. The Kingman coalescent model is used to describe the time structure of the ancestral tree. We recover information about the unknown true ancestral coalescent tree, population size, and the overall mutation rate from temporally spaced data, that is, from nucleotide sequences gathered at different times, from different individuals, in an evolving haploid population. We briefly discuss the methodological implications and show what can be inferred, in various practically relevant states of prior knowledge. We develop extensions for exponentially growing population size and joint estimation of substitution model parameters. We illustrate some of the important features of this approach on a genealogy of HIV-1 envelope (env) partial sequences.

Probing the parameter space of HD 49933: A comparison between global and local methods

Energy Technology Data Exchange (ETDEWEB)

Creevey, O L [Instituto de Astrofisica de Canarias (IAC), E-38200 La Laguna, Tenerife (Spain); Bazot, M, E-mail: orlagh@iac.es, E-mail: bazot@astro.up.pt [Centro de Astrofisica da Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal)

2011-01-01

We present two independent methods for studying the global stellar parameter space (mass M, age, chemical composition X{sub 0}, Z{sub 0}) of HD 49933 with seismic data. Using a local minimization and an MCMC algorithm, we obtain consistent results for the determination of the stellar properties: M 1.1-1.2 M{sub sun} Age {approx} 3.0 Gyr, Z{sub 0} {approx} 0.008. A description of the error ellipses can be defined using Singular Value Decomposition techniques, and this is validated by comparing the errors with those from the MCMC method.

A self-organizing state-space-model approach for parameter estimation in hodgkin-huxley-type models of single neurons.

Directory of Open Access Journals (Sweden)

Dimitrios V Vavoulis

Full Text Available Traditional approaches to the problem of parameter estimation in biophysical models of neurons and neural networks usually adopt a global search algorithm (for example, an evolutionary algorithm, often in combination with a local search method (such as gradient descent in order to minimize the value of a cost function, which measures the discrepancy between various features of the available experimental data and model output. In this study, we approach the problem of parameter estimation in conductance-based models of single neurons from a different perspective. By adopting a hidden-dynamical-systems formalism, we expressed parameter estimation as an inference problem in these systems, which can then be tackled using a range of well-established statistical inference methods. The particular method we used was Kitagawa's self-organizing state-space model, which was applied on a number of Hodgkin-Huxley-type models using simulated or actual electrophysiological data. We showed that the algorithm can be used to estimate a large number of parameters, including maximal conductances, reversal potentials, kinetics of ionic currents, measurement and intrinsic noise, based on low-dimensional experimental data and sufficiently informative priors in the form of pre-defined constraints imposed on model parameters. The algorithm remained operational even when very noisy experimental data were used. Importantly, by combining the self-organizing state-space model with an adaptive sampling algorithm akin to the Covariance Matrix Adaptation Evolution Strategy, we achieved a significant reduction in the variance of parameter estimates. The algorithm did not require the explicit formulation of a cost function and it was straightforward to apply on compartmental models and multiple data sets. Overall, the proposed methodology is particularly suitable for resolving high-dimensional inference problems based on noisy electrophysiological data and, therefore, a

Interplay of cross-plane polaronic transport and resistive switching in Pt–Pr0.67Ca0.33MnO3–Pt heterostructures

International Nuclear Information System (INIS)

Scherff, M; Hoffmann, J; Meyer, B; Danz, Th; Jooss, Ch

2013-01-01

The identification of the cross-plane electric transport mechanisms in different resistance states of metal–oxide sandwich structures is essential for gaining insights into the mechanisms of resistive switching (RS). Here, we present a systematic study of cross-plane electric transport properties of Pr 0.67 Ca 0.33 MnO 3 (PCMO) thin films sandwiched by precious Pt metal electrodes. We observe three different transport regimes: ohmic, nonlinear and RS. The nonlinear regime is associated with colossal magneto-resistance (CMR) and colossal electro-resistance (CER) effects. In contrast to RS, the CMR and CER are volatile resistance effects which persist only during application of strong magnetic or electric fields and they are restricted to low temperatures. At low current densities, the device resistance is dominated by small polaron hopping transport of the PCMO film. At higher electric current densities near the switching threshold, the interface resistance starts to dominate and remarkably also exhibits thermally activated transport properties. Our studies also shed light onto the interplay of colossal resistance effects and RS: at low temperatures, RS can be only induced by reduction of the PCMO resistivity through CMR and CER. This clearly demonstrates the key role of the current density for controlling the amplitude of non-volatile resistive changes. Conversely, the CMR can be used as a probe for the switching induced changes in disorder and correlations. At small switching amplitudes, we observe slight changes in polaron activation energy which can be attributed to changes at the interface. If the switching amplitude exceeds 1000% and more, the CMR effect in the device can be reversibly changed. This indicates persistent changes in electronic or lattice structure of large regions within the PCMO film. (paper)

Moduli space of Calabi-Yau manifolds

International Nuclear Information System (INIS)

Candelas, P.; De la Ossa, X.C.

1991-01-01

We present an accessible account of the local geometry of the parameter space of Calabi-Yau manifolds. It is shown that the parameter space decomposes, at least locally, into a product with the space of parameters of the complex structure as one factor and a complex extension of the parameter space of the Kaehler class as the other. It is also shown that each of these spaces is itself a Kaehler manifold and is moreover a Kaehler manifold of restricted type. There is a remarkable symmetry in the intrinsic structures of the two parameter spaces and the relevance of this to the conjectured existence of mirror manifolds is discussed. The two parameter spaces behave differently with respect to modular transformations and it is argued that the role of quantum corrections is to restore the symmetry between the two types of parameters so as to enforce modular invariance. (orig.)

Impact of D2O/H2O Solvent Exchange on the Emission of HgTe and CdTe Quantum Dots: Polaron and Energy Transfer Effects.

Science.gov (United States)

Wen, Qiannan; Kershaw, Stephen V; Kalytchuk, Sergii; Zhovtiuk, Olga; Reckmeier, Claas; Vasilevskiy, Mikhail I; Rogach, Andrey L

2016-04-26

We have studied light emission kinetics and analyzed carrier recombination channels in HgTe quantum dots that were initially grown in H2O. When the solvent is replaced by D2O, the nonradiative recombination rate changes highlight the role of the vibrational degrees of freedom in the medium surrounding the dots, including both solvent and ligands. The contributing energy loss mechanisms have been evaluated by developing quantitative models for the nonradiative recombination via (i) polaron states formed by strong coupling of ligand vibration modes to a surface trap state (nonresonant channel) and (ii) resonant energy transfer to vibration modes in the solvent. We conclude that channel (i) is more important than (ii) for HgTe dots in either solution. When some of these modes are removed from the relevant spectral range by the H2O to D2O replacement, the polaron effect becomes weaker and the nonradiative lifetime increases. Comparisons with CdTe quantum dots (QDs) served as a reference where the resonant energy loss (ii) a priori was not a factor, also confirmed by our experiments. The solvent exchange (H2O to D2O), however, is found to slightly increase the overall quantum yield of CdTe samples, probably by increasing the fraction of bright dots in the ensemble. The fundamental study reported here can serve as the foundation for the design and optimization principles of narrow bandgap quantum dots aimed at applications in long wavelength colloidal materials for infrared light emitting diodes and photodetectors.

Effects of polarons on static polarizabilities and second order hyperpolarizabilities of conjugated polymers

International Nuclear Information System (INIS)

Wang Ya-Dong; Meng Yan; Di Bing; Wang Shu-Ling; An Zhong

2010-01-01

According to the one-dimensional tight-binding Su—Schrieffer—Heeger model, we have investigated the effects of charged polarons on the static polarizability, α xx , and the second order hyperpolarizabilities, γ xxxx , of conjugated polymers. Our results are consistent qualitatively with previous ab initio and semi-empirical calculations. The origin of the universal growth is discussed using a local-view formalism that is based on the local atomic charge derivatives. Furthermore, combining the Su-Schrieffer-Heeger model and the extended Hubbard model, we have investigated systematically the effects of electron-electron interactions on α xx and γ xxxx of charged polymer chains. For a fixed value of the nearest-neighbour interaction V, the values of α xx and γ xxxx increase as the on-site Coulomb interaction U increases for U c and decrease with U for U > U c , where U c is a critical value of U at which the static polarizability or the second order hyperpolarizability reaches a maximal value of α max or γ max . It is found that the effect of the e-e interaction on the value of α xx is dependent on the ratio between U and V for either a short or a long charged polymer. Whereas, that effect on the value of γ xxxx is sensitive both to the ratio of U to V and to the size of the molecule. (rapid communication)

Virtual walks in spin space: A study in a family of two-parameter models

Science.gov (United States)

Mullick, Pratik; Sen, Parongama

2018-05-01

We investigate the dynamics of classical spins mapped as walkers in a virtual "spin" space using a generalized two-parameter family of spin models characterized by parameters y and z [de Oliveira et al., J. Phys. A 26, 2317 (1993), 10.1088/0305-4470/26/10/006]. The behavior of S (x ,t ) , the probability that the walker is at position x at time t , is studied in detail. In general S (x ,t ) ˜t-αf (x /tα) with α ≃1 or 0.5 at large times depending on the parameters. In particular, S (x ,t ) for the point y =1 ,z =0.5 corresponding to the Voter model shows a crossover in time; associated with this crossover, two timescales can be defined which vary with the system size L as L2logL . We also show that as the Voter model point is approached from the disordered regions along different directions, the width of the Gaussian distribution S (x ,t ) diverges in a power law manner with different exponents. For the majority Voter case, the results indicate that the the virtual walk can detect the phase transition perhaps more efficiently compared to other nonequilibrium methods.

Exploitation of ISAR Imagery in Euler Parameter Space

National Research Council Canada - National Science Library

Baird, Christopher; Kersey, W. T; Giles, R; Nixon, W. E

2005-01-01

.... The Euler parameters have potential value in target classification but have historically met with limited success due to ambiguities that arise in decomposition as well as the parameters' sensitivity...

A Markov Chain Monte Carlo version of the genetic algorithm Differential Evolution: easy Bayesian computing for real parameter spaces

NARCIS (Netherlands)

Braak, ter C.J.F.

2006-01-01

Differential Evolution (DE) is a simple genetic algorithm for numerical optimization in real parameter spaces. In a statistical context one would not just want the optimum but also its uncertainty. The uncertainty distribution can be obtained by a Bayesian analysis (after specifying prior and

Reconciling Planck with the local value of H0 in extended parameter space

Directory of Open Access Journals (Sweden)

Eleonora Di Valentino

2016-10-01

Full Text Available The recent determination of the local value of the Hubble constant by Riess et al., 2016 (hereafter R16 is now 3.3 sigma higher than the value derived from the most recent CMB anisotropy data provided by the Planck satellite in a ΛCDM model. Here we perform a combined analysis of the Planck and R16 results in an extended parameter space, varying simultaneously 12 cosmological parameters instead of the usual 6. We find that a phantom-like dark energy component, with effective equation of state w=−1.29−0.12+0.15 at 68% c.l. can solve the current tension between the Planck dataset and the R16 prior in an extended ΛCDM scenario. On the other hand, the neutrino effective number is fully compatible with standard expectations. This result is confirmed when including cosmic shear data from the CFHTLenS survey and CMB lensing constraints from Planck. However, when BAO measurements are included we find that some of the tension with R16 remains, as also is the case when we include the supernova type Ia luminosity distances from the JLA catalog.

The one-parameter subgroup of rotations generated by spin transformations in three-dimensional real space

International Nuclear Information System (INIS)

Gazoya, E.D.K.; Prempeh, E.; Banini, G.K.

2015-01-01

The relationship between the spin transformations of the special linear group of order 2, SL (2, C) and the aggregate SO(3) of the three-dimensional pure rotations when considered as a group in itself (and not as a subgroup of the Lorentz group), is investigated. It is shown, by the spinor map X - → AXA ct which is all action of SL(2. C) on the space of Hermitian matrices, that the one- parameter subgroup of rotations generated are precisely those of angles which are multiples 2π. (au)

Derivation of Delaware Bay tidal parameters from space shuttle photography

International Nuclear Information System (INIS)

Zheng, Quanan; Yan, Xiaohai; Klemas, V.

1993-01-01

The tide-related parameters of the Delaware Bay are derived from space shuttle time-series photographs. The water areas in the bay are measured from interpretation maps of the photographs with a CALCOMP 9100 digitizer and ERDAS Image Processing System. The corresponding tidal levels are calculated using the exposure time annotated on the photographs. From these data, an approximate function relating the water area to the tidal level at a reference point is determined. Based on the function, the water areas of the Delaware Bay at mean high water (MHW) and mean low water (MLW), below 0 m, and for the tidal zone are inferred. With MHW and MLW areas and the mean tidal range, the authors calculate the tidal influx of the Delaware Bay, which is 2.76 x 1O 9 m 3 . Furthermore, the velocity of flood tide at the bay mouth is determined using the tidal flux and an integral of the velocity distribution function at the cross section between Cape Henlopen and Cape May. The result is 132 cm/s, which compares well with the data on tidal current charts

Preliminary study of environmental parameters associated with the feasibility of a polygeneration plant at Kennedy Space Center

International Nuclear Information System (INIS)

Barnes, G.D.

1982-01-01

The feasibility of a polygeneration plant at Kennedy Space Center was studied. Liquid hydrogen and gaseous nitrogen are the two principal products in consideration. Environmental parameters (air quality, water quality, biological diversity and hazardous waste disposal) necessary for the feasibility study were investigated. A National Environmental Policy Act (NEPA) project flow sheet was to be formulated for the environmental impact statement. Water quality criteria for Florida waters were to be established

Existence of positive solutions for nonlocal second-order boundary value problem with variable parameter in Banach spaces

Directory of Open Access Journals (Sweden)

Zhang Peiguo

2011-01-01

Full Text Available Abstract By obtaining intervals of the parameter λ, this article investigates the existence of a positive solution for a class of nonlinear boundary value problems of second-order differential equations with integral boundary conditions in abstract spaces. The arguments are based upon a specially constructed cone and the fixed point theory in cone for a strict set contraction operator. MSC: 34B15; 34B16.

Integrated Logistics Support Analysis of the International Space Station Alpha: An Overview of the Maintenance Time Dependent Parameter Prediction Methods Enhancement

Science.gov (United States)

Sepehry-Fard, F.; Coulthard, Maurice H.

1995-01-01

The objective of this publication is to introduce the enhancement methods for the overall reliability and maintainability methods of assessment on the International Space Station. It is essential that the process to predict the values of the maintenance time dependent variable parameters such as mean time between failure (MTBF) over time do not in themselves generate uncontrolled deviation in the results of the ILS analysis such as life cycle costs, spares calculation, etc. Furthermore, the very acute problems of micrometeorite, Cosmic rays, flares, atomic oxygen, ionization effects, orbital plumes and all the other factors that differentiate maintainable space operations from non-maintainable space operations and/or ground operations must be accounted for. Therefore, these parameters need be subjected to a special and complex process. Since reliability and maintainability strongly depend on the operating conditions that are encountered during the entire life of the International Space Station, it is important that such conditions are accurately identified at the beginning of the logistics support requirements process. Environmental conditions which exert a strong influence on International Space Station will be discussed in this report. Concurrent (combined) space environments may be more detrimental to the reliability and maintainability of the International Space Station than the effects of a single environment. In characterizing the logistics support requirements process, the developed design/test criteria must consider both the single and/or combined environments in anticipation of providing hardware capability to withstand the hazards of the International Space Station profile. The effects of the combined environments (typical) in a matrix relationship on the International Space Station will be shown. The combinations of the environments where the total effect is more damaging than the cumulative effects of the environments acting singly, may include a

On the Essence of Space

Science.gov (United States)

Kalanov, Temur Z.

2003-04-01

A new theory of space is suggested. It represents the new point of view which has arisen from the critical analysis of the foundations of physics (in particular the theory of relativity and quantum mechanics), mathematics, cosmology and philosophy. The main idea following from the analysis is that the concept of movement represents a key to understanding of the essence of space. The starting-point of the theory is represented by the following philosophical (dialectical materialistic) principles. (a) The principle of the materiality (of the objective reality) of the Nature: the Nature (the Universe) is a system (a set) of material objects (particles, bodies, fields); each object has properties, features, and the properties, the features are inseparable characteristics of material object and belong only to material object. (b) The principle of the existence of material object: an object exists as the objective reality, and movement is a form of existence of object. (c) The principle (definition) of movement of object: the movement is change (i.e. transition of some states into others) in general; the movement determines a direction, and direction characterizes the movement. (d) The principle of existence of time: the time exists as the parameter of the system of reference. These principles lead to the following statements expressing the essence of space. (1) There is no space in general, and there exist space only as a form of existence of the properties and features of the object. It means that the space is a set of the measures of the object (the measure is the philosophical category meaning unity of the qualitative and quantitative determinacy of the object). In other words, the space of the object is a set of the states of the object. (2) The states of the object are manifested only in a system of reference. The main informational property of the unitary system researched physical object + system of reference is that the system of reference determines (measures

FORECASTING COSMOLOGICAL PARAMETER CONSTRAINTS FROM NEAR-FUTURE SPACE-BASED GALAXY SURVEYS

International Nuclear Information System (INIS)

Pavlov, Anatoly; Ratra, Bharat; Samushia, Lado

2012-01-01

The next generation of space-based galaxy surveys is expected to measure the growth rate of structure to a level of about one percent over a range of redshifts. The rate of growth of structure as a function of redshift depends on the behavior of dark energy and so can be used to constrain parameters of dark energy models. In this work, we investigate how well these future data will be able to constrain the time dependence of the dark energy density. We consider parameterizations of the dark energy equation of state, such as XCDM and ωCDM, as well as a consistent physical model of time-evolving scalar field dark energy, φCDM. We show that if the standard, specially flat cosmological model is taken as a fiducial model of the universe, these near-future measurements of structure growth will be able to constrain the time dependence of scalar field dark energy density to a precision of about 10%, which is almost an order of magnitude better than what can be achieved from a compilation of currently available data sets.

Effects of hole self-trapping by polarons on transport and negative bias illumination stress in amorphous-IGZO

Science.gov (United States)

de Jamblinne de Meux, A.; Pourtois, G.; Genoe, J.; Heremans, P.

2018-04-01

The effects of hole injection in amorphous indium-gallium-zinc-oxide (a-IGZO) are analyzed by means of first-principles calculations. The injection of holes in the valence band tail states leads to their capture as a polaron, with high self-trapping energies (from 0.44 to 1.15 eV). Once formed, they mediate the formation of peroxides and remain localized close to the hole injection source due to the presence of a large diffusion energy barrier (of at least 0.6 eV). Their diffusion mechanism can be mediated by the presence of hydrogen. The capture of these holes is correlated with the low off-current observed for a-IGZO transistors, as well as with the difficulty to obtain a p-type conductivity. The results further support the formation of peroxides as being the root cause of Negative Bias Illumination Stress (NBIS). The strong self-trapping substantially reduces the injection of holes from the contact and limits the creation of peroxides from a direct hole injection. In the presence of light, the concentration of holes substantially rises and mediates the creation of peroxides, responsible for NBIS.

Associations among q-space MRI, diffusion-weighted MRI and histopathological parameters in meningiomas

Energy Technology Data Exchange (ETDEWEB)

Fatima, Zareen; Motosugi, Utaroh; Ishigame, Keiichi; Araki, Tsutomu [University of Yamanashi, Department of Radiology, Chuo-shi, Yamanashi (Japan); Waqar, Ahmed Bilal [University of Yamanashi, Department of Molecular Pathology, Interdisciplinary Graduate School of Medicine and Engineering, Chuo-shi, Yamanashi (Japan); Hori, Masaaki [Juntendo University, Department of Radiology, School of Medicine, Tokyo (Japan); Oishi, Naoki; Katoh, Ryohei [University of Yamanashi, Department of Pathology, Chuo-shi, Yamanashi (Japan); Onodera, Toshiyuki; Yagi, Kazuo [Tokyo Metropolitan University, Department of Radiological Sciences, Graduate School of Human Health Sciences, Tokyo (Japan)

2013-08-15

The purposes of this MR-based study were to calculate q-space imaging (QSI)-derived mean displacement (MDP) in meningiomas, to evaluate the correlation of MDP values with apparent diffusion coefficient (ADC) and to investigate the relationships among these diffusion parameters, tumour cell count (TCC) and MIB-1 labelling index (LI). MRI, including QSI and conventional diffusion-weighted imaging (DWI), was performed in 44 meningioma patients (52 lesions). ADC and MDP maps were acquired from post-processing of the data. Quantitative analyses of these maps were performed by applying regions of interest. Pearson correlation coefficients were calculated for ADC and MDP in all lesions and for ADC and TCC, MDP and TCC, ADC and MIB-1 LI, and MDP and MIB-1 LI in 17 patients who underwent subsequent surgery. ADC and MDP values were found to have a strong correlation: r = 0.78 (P = <0.0001). Both ADC and MDP values had a significant negative association with TCC: r = -0.53 (p = 0.02) and -0.48 (P = 0.04), respectively. MIB-1 LI was not, however, found to have a significant association with these diffusion parameters. In meningiomas, both ADC and MDP may be representative of cell density. (orig.)

Associations among q-space MRI, diffusion-weighted MRI and histopathological parameters in meningiomas

International Nuclear Information System (INIS)

Fatima, Zareen; Motosugi, Utaroh; Ishigame, Keiichi; Araki, Tsutomu; Waqar, Ahmed Bilal; Hori, Masaaki; Oishi, Naoki; Katoh, Ryohei; Onodera, Toshiyuki; Yagi, Kazuo

2013-01-01

The purposes of this MR-based study were to calculate q-space imaging (QSI)-derived mean displacement (MDP) in meningiomas, to evaluate the correlation of MDP values with apparent diffusion coefficient (ADC) and to investigate the relationships among these diffusion parameters, tumour cell count (TCC) and MIB-1 labelling index (LI). MRI, including QSI and conventional diffusion-weighted imaging (DWI), was performed in 44 meningioma patients (52 lesions). ADC and MDP maps were acquired from post-processing of the data. Quantitative analyses of these maps were performed by applying regions of interest. Pearson correlation coefficients were calculated for ADC and MDP in all lesions and for ADC and TCC, MDP and TCC, ADC and MIB-1 LI, and MDP and MIB-1 LI in 17 patients who underwent subsequent surgery. ADC and MDP values were found to have a strong correlation: r = 0.78 (P = <0.0001). Both ADC and MDP values had a significant negative association with TCC: r = -0.53 (p = 0.02) and -0.48 (P = 0.04), respectively. MIB-1 LI was not, however, found to have a significant association with these diffusion parameters. In meningiomas, both ADC and MDP may be representative of cell density. (orig.)

SU-F-T-366: Dosimetric Parameters Enhancement of 120-Leaf Millennium MLC Using EGSnrc and IAEA Phase-Space Data

International Nuclear Information System (INIS)

Haddad, K; Alopoor, H

2016-01-01

Purpose: Recently, the multileaf collimators (MLC) have become an important part of any LINAC collimation systems because they reduce the treatment planning time and improves the conformity. Important factors that affects the MLCs collimation performance are leaves material composition and their thickness. In this study, we investigate the main dosimetric parameters of 120-leaf Millennium MLC including dose in the buildup point, physical penumbra as well as average and end leaf leakages. Effects of the leaves geometry and density on these parameters are evaluated Methods: From EGSnrc Monte Carlo code, BEAMnrc and DOSXYZnrc modules are used to evaluate the dosimetric parameters of a water phantom exposed to a Varian xi for 100cm SSD. Using IAEA phasespace data just above MLC (Z=46cm) and BEAMnrc, for the modified 120-leaf Millennium MLC a new phase space data at Z=52cm is produces. The MLC is modified both in leaf thickness and material composition. EGSgui code generates 521ICRU library for tungsten alloys. DOSXYZnrc with the new phase space evaluates the dose distribution in a water phantom of 60×60×20 cm3 with voxel size of 4×4×2 mm3. Using DOSXYZnrc dose distributions for open beam and closed beam as well as the leakages definition, end leakage, average leakage and physical penumbra are evaluated. Results: A new MLC with improved dosimetric parameters is proposed. The physical penumbra for proposed MLC is 4.7mm compared to 5.16 mm for Millennium. Average leakage in our design is reduced to 1.16% compared to 1.73% for Millennium, the end leaf leakage suggested design is also reduced to 4.86% compared to 7.26% of Millennium. Conclusion: The results show that the proposed MLC with enhanced dosimetric parameters could improve the conformity of treatment planning.

SU-F-T-366: Dosimetric Parameters Enhancement of 120-Leaf Millennium MLC Using EGSnrc and IAEA Phase-Space Data

Energy Technology Data Exchange (ETDEWEB)

Haddad, K; Alopoor, H [Shiraz University, Shiraz, I.R. Iran (Iran, Islamic Republic of)

2016-06-15

Purpose: Recently, the multileaf collimators (MLC) have become an important part of any LINAC collimation systems because they reduce the treatment planning time and improves the conformity. Important factors that affects the MLCs collimation performance are leaves material composition and their thickness. In this study, we investigate the main dosimetric parameters of 120-leaf Millennium MLC including dose in the buildup point, physical penumbra as well as average and end leaf leakages. Effects of the leaves geometry and density on these parameters are evaluated Methods: From EGSnrc Monte Carlo code, BEAMnrc and DOSXYZnrc modules are used to evaluate the dosimetric parameters of a water phantom exposed to a Varian xi for 100cm SSD. Using IAEA phasespace data just above MLC (Z=46cm) and BEAMnrc, for the modified 120-leaf Millennium MLC a new phase space data at Z=52cm is produces. The MLC is modified both in leaf thickness and material composition. EGSgui code generates 521ICRU library for tungsten alloys. DOSXYZnrc with the new phase space evaluates the dose distribution in a water phantom of 60×60×20 cm3 with voxel size of 4×4×2 mm3. Using DOSXYZnrc dose distributions for open beam and closed beam as well as the leakages definition, end leakage, average leakage and physical penumbra are evaluated. Results: A new MLC with improved dosimetric parameters is proposed. The physical penumbra for proposed MLC is 4.7mm compared to 5.16 mm for Millennium. Average leakage in our design is reduced to 1.16% compared to 1.73% for Millennium, the end leaf leakage suggested design is also reduced to 4.86% compared to 7.26% of Millennium. Conclusion: The results show that the proposed MLC with enhanced dosimetric parameters could improve the conformity of treatment planning.

A hybrid method of estimating pulsating flow parameters in the space-time domain

Science.gov (United States)

Pałczyński, Tomasz

2017-05-01

This paper presents a method for estimating pulsating flow parameters in partially open pipes, such as pipelines, internal combustion engine inlets, exhaust pipes and piston compressors. The procedure is based on the method of characteristics, and employs a combination of measurements and simulations. An experimental test rig is described, which enables pressure, temperature and mass flow rate to be measured within a defined cross section. The second part of the paper discusses the main assumptions of a simulation algorithm elaborated in the Matlab/Simulink environment. The simulation results are shown as 3D plots in the space-time domain, and compared with proposed models of phenomena relating to wave propagation, boundary conditions, acoustics and fluid mechanics. The simulation results are finally compared with acoustic phenomena, with an emphasis on the identification of resonant frequencies.

Effects of simulated space environmental parameters on six commercially available composite materials

International Nuclear Information System (INIS)

Funk, J.G.; Sykes, G.F. Jr.

1989-04-01

The effects of simulated space environmental parameters on microdamage induced by the environment in a series of commercially available graphite-fiber-reinforced composite materials were determined. Composites with both thermoset and thermoplastic resin systems were studied. Low-Earth-Orbit (LEO) exposures were simulated by thermal cycling; geosynchronous-orbit (GEO) exposures were simulated by electron irradiation plus thermal cycling. The thermal cycling temperature range was -250 F to either 200 F or 150 F. The upper limits of the thermal cycles were different to ensure that an individual composite material was not cycled above its glass transition temperature. Material response was characterized through assessment of the induced microcracking and its influence on mechanical property changes at both room temperature and -250 F. Microdamage was induced in both thermoset and thermoplastic advanced composite materials exposed to the simulated LEO environment. However, a 350 F cure single-phase toughened epoxy composite was not damaged during exposure to the LEO environment. The simuated GEO environment produced microdamage in all materials tested

Quasi-one-dimensional polaronic states due to the preferential reduction in the Li sub 1 sub + sub x V sub 3 O sub 8 insertion electrode

CERN Document Server

Onoda, M

2003-01-01

The structural and electronic properties of the Li sub 1 sub + sub x V sub 3 O sub 8 insertion electrode, where 0 sup 0.1 with nearly stoichiometric oxygen atoms, small polarons exist without carrier-creation energy at high temperatures, while at low temperatures the conduction may be of variable-range hopping (VRH) type. For x > 0.2, one-dimensional magnetic properties appear due to sizable exchange couplings and order-disorder effects of additional Li ions may lead to significant change of transport properties. For the intermediate composition 0 < x sup<= 0.1, strong randomness of the Li doping and the congenital oxygen deficiency cause VRH states even at high temperatures.

Concept for an International Standard related to Space Weather Effects on Space Systems

Science.gov (United States)

Tobiska, W. Kent; Tomky, Alyssa

There is great interest in developing an international standard related to space weather in order to specify the tools and parameters needed for space systems operations. In particular, a standard is important for satellite operators who may not be familiar with space weather. In addition, there are others who participate in space systems operations that would also benefit from such a document. For example, the developers of software systems that provide LEO satellite orbit determination, radio communication availability for scintillation events (GEO-to-ground L and UHF bands), GPS uncertainties, and the radiation environment from ground-to-space for commercial space tourism. These groups require recent historical data, current epoch specification, and forecast of space weather events into their automated or manual systems. Other examples are national government agencies that rely on space weather data provided by their organizations such as those represented in the International Space Environment Service (ISES) group of 14 national agencies. Designers, manufacturers, and launchers of space systems require real-time, operational space weather parameters that can be measured, monitored, or built into automated systems. Thus, a broad scope for the document will provide a useful international standard product to a variety of engineering and science domains. The structure of the document should contain a well-defined scope, consensus space weather terms and definitions, and internationally accepted descriptions of the main elements of space weather, its sources, and its effects upon space systems. Appendices will be useful for describing expanded material such as guidelines on how to use the standard, how to obtain specific space weather parameters, and short but detailed descriptions such as when best to use some parameters and not others; appendices provide a path for easily updating the standard since the domain of space weather is rapidly changing with new advances

Triple Junction InGaP/GaAs/Ge Solar Cell Optimization: The Design Parameters for a 36.2% Efficient Space Cell Using Silvaco ATLAS Modeling & Simulation

OpenAIRE

Tsutagawa, Michael H.; Michael, Sherif

2009-01-01

This paper presents the design parameters for a triple junction InGaP/GaAs/Ge space solar cell with a simulated maximum efficiency of 36.28% using Silvaco ATLAS Virtual Wafer Fabrication tool. Design parameters include the layer material, doping concentration, and thicknesses.

Equilibrium phase-space distributions and space charge limits in linacs

International Nuclear Information System (INIS)

Lysenko, W.P.

1977-10-01

Limits on beam current and emittance in proton and heavy ion linear accelerators resulting from space charge forces are calculated. The method involves determining equilibrium distributions in phase space using a continuous focusing, no acceleration, model in two degrees of freedom using the coordinates r and z. A nonlinear Poisson equation must be solved numerically. This procedure is a matching between the longitudinal and transverse directions to minimize the effect of longitudinal-transverse coupling which is believed to be the main problem in emittance growth due to space charge in linacs. Limits on the Clinton P. Anderson Meson Physics Facility (LAMPF) accelerator performance are calculated as an example. The beam physics is described by a few space charge parameters so that accelerators with different physical parameters can be compared in a natural way. The main result of this parameter study is that the requirement of a high-intensity beam is best fulfilled with a low-frequency accelerator whereas the requirement of a high-brightness beam is best fulfilled with a high-frequency accelerator

Buncher system parameter optimization

International Nuclear Information System (INIS)

Wadlinger, E.A.

1981-01-01

A least-squares algorithm is presented to calculate the RF amplitudes and cavity spacings for a series of buncher cavities each resonating at a frequency that is a multiple of a fundamental frequency of interest. The longitudinal phase-space distribution, obtained by particle tracing through the bunching system, is compared to a desired distribution function of energy and phase. The buncher cavity parameters are adjusted to minimize the difference between these two distributions. Examples are given for zero space charge. The manner in which the method can be extended to include space charge using the 3-D space-charge calculation procedure is indicated

A new Bayesian recursive technique for parameter estimation

Science.gov (United States)

Kaheil, Yasir H.; Gill, M. Kashif; McKee, Mac; Bastidas, Luis

2006-08-01

The performance of any model depends on how well its associated parameters are estimated. In the current application, a localized Bayesian recursive estimation (LOBARE) approach is devised for parameter estimation. The LOBARE methodology is an extension of the Bayesian recursive estimation (BARE) method. It is applied in this paper on two different types of models: an artificial intelligence (AI) model in the form of a support vector machine (SVM) application for forecasting soil moisture and a conceptual rainfall-runoff (CRR) model represented by the Sacramento soil moisture accounting (SAC-SMA) model. Support vector machines, based on statistical learning theory (SLT), represent the modeling task as a quadratic optimization problem and have already been used in various applications in hydrology. They require estimation of three parameters. SAC-SMA is a very well known model that estimates runoff. It has a 13-dimensional parameter space. In the LOBARE approach presented here, Bayesian inference is used in an iterative fashion to estimate the parameter space that will most likely enclose a best parameter set. This is done by narrowing the sampling space through updating the "parent" bounds based on their fitness. These bounds are actually the parameter sets that were selected by BARE runs on subspaces of the initial parameter space. The new approach results in faster convergence toward the optimal parameter set using minimum training/calibration data and fewer sets of parameter values. The efficacy of the localized methodology is also compared with the previously used BARE algorithm.

Online State Space Model Parameter Estimation in Synchronous Machines

Directory of Open Access Journals (Sweden)

Z. Gallehdari

2014-06-01

The suggested approach is evaluated for a sample synchronous machine model. Estimated parameters are tested for different inputs at different operating conditions. The effect of noise is also considered in this study. Simulation results show that the proposed approach provides good accuracy for parameter estimation.

DRAGON solutions to the 3D transport benchmark over a range in parameter space

International Nuclear Information System (INIS)

Martin, Nicolas; Hebert, Alain; Marleau, Guy

2010-01-01

DRAGON solutions to the 'NEA suite of benchmarks for 3D transport methods and codes over a range in parameter space' are discussed in this paper. A description of the benchmark is first provided, followed by a detailed review of the different computational models used in the lattice code DRAGON. Two numerical methods were selected for generating the required quantities for the 729 configurations of this benchmark. First, S N calculations were performed using fully symmetric angular quadratures and high-order diamond differencing for spatial discretization. To compare S N results with those of another deterministic method, the method of characteristics (MoC) was also considered for this benchmark. Comparisons between reference solutions, S N and MoC results illustrate the advantages and drawbacks of each methods for this 3-D transport problem.

Disentangling overlapping high-field EPR spectra of organic radicals: Identification of light-induced polarons in the record fullerene-free solar cell blend PBDB-T:ITIC

Science.gov (United States)

Van Landeghem, Melissa; Maes, Wouter; Goovaerts, Etienne; Van Doorslaer, Sabine

2018-03-01

We present a combined high-field EPR and DFT study of light-induced radicals in the bulk heterojunction blend of PBDB-T:ITIC, currently one of the highest efficiency non-fullerene donor:acceptor combinations in organic photovoltaics. We demonstrate two different approaches for disentangling the strongly overlapping high-field EPR spectra of the positive and negative polarons after charge separation: (1) relaxation-filtered field-swept EPR based on the difference in T1 spin-relaxation times and (2) field-swept EDNMR-induced EPR by exploiting the presence of 14N hyperfine couplings in only one of the radical species, the small molecule acceptor radical. The approach is validated by light-induced EPR spectra on related blends and the spectral assignment is underpinned by DFT computations. The broader applicability of the spectral disentangling methods is discussed.

GRID-BASED EXPLORATION OF COSMOLOGICAL PARAMETER SPACE WITH SNAKE

International Nuclear Information System (INIS)

Mikkelsen, K.; Næss, S. K.; Eriksen, H. K.

2013-01-01

We present a fully parallelized grid-based parameter estimation algorithm for investigating multidimensional likelihoods called Snake, and apply it to cosmological parameter estimation. The basic idea is to map out the likelihood grid-cell by grid-cell according to decreasing likelihood, and stop when a certain threshold has been reached. This approach improves vastly on the 'curse of dimensionality' problem plaguing standard grid-based parameter estimation simply by disregarding grid cells with negligible likelihood. The main advantages of this method compared to standard Metropolis-Hastings Markov Chain Monte Carlo methods include (1) trivial extraction of arbitrary conditional distributions; (2) direct access to Bayesian evidences; (3) better sampling of the tails of the distribution; and (4) nearly perfect parallelization scaling. The main disadvantage is, as in the case of brute-force grid-based evaluation, a dependency on the number of parameters, N par . One of the main goals of the present paper is to determine how large N par can be, while still maintaining reasonable computational efficiency; we find that N par = 12 is well within the capabilities of the method. The performance of the code is tested by comparing cosmological parameters estimated using Snake and the WMAP-7 data with those obtained using CosmoMC, the current standard code in the field. We find fully consistent results, with similar computational expenses, but shorter wall time due to the perfect parallelization scheme

GRID-BASED EXPLORATION OF COSMOLOGICAL PARAMETER SPACE WITH SNAKE

Energy Technology Data Exchange (ETDEWEB)

Mikkelsen, K.; Næss, S. K.; Eriksen, H. K., E-mail: kristin.mikkelsen@astro.uio.no [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029, Blindern, NO-0315 Oslo (Norway)

2013-11-10

We present a fully parallelized grid-based parameter estimation algorithm for investigating multidimensional likelihoods called Snake, and apply it to cosmological parameter estimation. The basic idea is to map out the likelihood grid-cell by grid-cell according to decreasing likelihood, and stop when a certain threshold has been reached. This approach improves vastly on the 'curse of dimensionality' problem plaguing standard grid-based parameter estimation simply by disregarding grid cells with negligible likelihood. The main advantages of this method compared to standard Metropolis-Hastings Markov Chain Monte Carlo methods include (1) trivial extraction of arbitrary conditional distributions; (2) direct access to Bayesian evidences; (3) better sampling of the tails of the distribution; and (4) nearly perfect parallelization scaling. The main disadvantage is, as in the case of brute-force grid-based evaluation, a dependency on the number of parameters, N{sub par}. One of the main goals of the present paper is to determine how large N{sub par} can be, while still maintaining reasonable computational efficiency; we find that N{sub par} = 12 is well within the capabilities of the method. The performance of the code is tested by comparing cosmological parameters estimated using Snake and the WMAP-7 data with those obtained using CosmoMC, the current standard code in the field. We find fully consistent results, with similar computational expenses, but shorter wall time due to the perfect parallelization scheme.

Finding viable models in SUSY parameter spaces with signal specific discovery potential

Science.gov (United States)

Burgess, Thomas; Lindroos, Jan Øye; Lipniacka, Anna; Sandaker, Heidi

2013-08-01

Recent results from ATLAS giving a Higgs mass of 125.5 GeV, further constrain already highly constrained supersymmetric models such as pMSSM or CMSSM/mSUGRA. As a consequence, finding potentially discoverable and non-excluded regions of model parameter space is becoming increasingly difficult. Several groups have invested large effort in studying the consequences of Higgs mass bounds, upper limits on rare B-meson decays, and limits on relic dark matter density on constrained models, aiming at predicting superpartner masses, and establishing likelihood of SUSY models compared to that of the Standard Model vis-á-vis experimental data. In this paper a framework for efficient search for discoverable, non-excluded regions of different SUSY spaces giving specific experimental signature of interest is presented. The method employs an improved Markov Chain Monte Carlo (MCMC) scheme exploiting an iteratively updated likelihood function to guide search for viable models. Existing experimental and theoretical bounds as well as the LHC discovery potential are taken into account. This includes recent bounds on relic dark matter density, the Higgs sector and rare B-mesons decays. A clustering algorithm is applied to classify selected models according to expected phenomenology enabling automated choice of experimental benchmarks and regions to be used for optimizing searches. The aim is to provide experimentalist with a viable tool helping to target experimental signatures to search for, once a class of models of interest is established. As an example a search for viable CMSSM models with τ-lepton signatures observable with the 2012 LHC data set is presented. In the search 105209 unique models were probed. From these, ten reference benchmark points covering different ranges of phenomenological observables at the LHC were selected.

Subchannel and bundle friction factors and flow split parameters for laminar transition and turbulent longitudinal flows in wire wrap spaced hexagonal arrays

International Nuclear Information System (INIS)

Hawley, J.T.; Chiu, C.; Todreas, N.E.; Rohsenow, W.M.

1980-01-01

Correlations are presented for subchannel and bundle friction factors and flowsplit parameters for laminar, transition and turbulent longitudinal flows in wire wrap spaced hexagonal arrays. These results are obtained from pressure drop models of flow in individual subchannels. For turbulent flow, an existing pressure drop model for flow in edge subchannels is extended, and the resulting edge subchannel friction factor is identified. Using the expressions for flowsplit parameters and the equal pressure drops assumption, the interior subchannel and bundle friction factors are obtained. For laminar flow, models are developed for pressure drops of individual subchannels. From these models, expressions for the subchannel friction factors are identified and expressions for the flowsplit parameters are derived

Subchannel and bundle friction factors and flowsplit parameters for laminar, transition, and turbulent longitudinal flows in wire-wrap spaced hexagonal arrays. [LMFBR

Energy Technology Data Exchange (ETDEWEB)

Hawley, J.T.; Chiu, C.; Rohsenow, W.M.; Todreas, N.E.

1980-08-01

Correlations are presented for subchannel and bundle friction factors and flowsplit parameters for laminar, transition and turbulent longitudinal flows in wire wrap spaced hexagonal arrays. These results are obtained from pressure drop models of flow in individual subchannels. For turbulent flow, an existing pressure drop model for flow in edge subchannels is extended, and the resulting edge subchannel friction factor is identified. Using the expressions for flowsplit parameters and the equal pressured drop assumption, the interior subchannel and bundle friction factors are obtained. For laminar flow, models are developed for pressure drops of individual subchannels. From these models, expressions for the subchannel friction factors are identified and expressions for the flowsplit parameters are derived.

Electrical properties, phase transitions and conduction mechanisms of the [(C{sub 2}H{sub 5})NH{sub 3}]{sub 2}CdCl{sub 4} compound

Energy Technology Data Exchange (ETDEWEB)

Mohamed, C. Ben; Karoui, K. [Laboratory of Condensed Matter, Faculty of Science of Sfax, University of Sfax, BP1171- 3000 Sfax (Tunisia); Saidi, S. [Laboratory of Materials, Organization and Properties (LMOP), Faculty of Sciences of Tunis, Tunis-El Manar University, 2092 Tunis (Tunisia); Guidara, K. [Laboratory of Condensed Matter, Faculty of Science of Sfax, University of Sfax, BP1171- 3000 Sfax (Tunisia); Rhaiem, A. Ben, E-mail: abdallahrhaiem@yahoo.fr [Laboratory of Condensed Matter, Faculty of Science of Sfax, University of Sfax, BP1171- 3000 Sfax (Tunisia)

2014-10-15

The [(C{sub 2}H{sub 5})NH{sub 3}]{sub 2}CdCl{sub 4} hybrid material was prepared and its calorimetric study and electric properties were investigated at low temperature. The X-ray powder diffractogram has shown that the compound is crystallized in the orthorhombic system with Abma space group, and the refined unit cell parameters are a=7.546 Å, b=7.443 Å, and c=21.831 Å. The calorimetric study has revealed two endothermic peaks at 216 K and 357 K, which are confirmed by the variation of f{sub p} and σ{sub dc} as a function of temperature. The equivalent circuit based on the Z-View-software was proposed and the conduction mechanisms were determined. The obtained results have been discussed in terms of the correlated barrier hopping model (CBH) in phase I (low temperature (OLT)), non-overlapping small polaron tunneling model (NSPT) in phase II (room temperature (ORT)) and the overlapping large polaron tunneling model in phase III (high temperature (OHT)). The density of localized states N{sub F}(E) at the Fermi level and the binding energy W{sub m} were calculated. The variation of the dielectric loss log(ε″) with log(ω) was found to follow the empirical law, ε″=B ω{sup m(T)}.

Optimization of operating parameters of ground source heat pump system for space heating and cooling by Taguchi method and utility concept

International Nuclear Information System (INIS)

Sivasakthivel, T.; Murugesan, K.; Thomas, H.R.

2014-01-01

Highlights: • Ground Source Heat Pump (GSHP) technology is suitable for both heating and cooling. • Important parameters that affect the GSHP performance has been listed. • Parameters of GSHP system has been optimized for heating and cooling mode. • Taguchi technique and utility concept are developed for GSHP optimization. - Abstract: Use of ground source energy for space heating applications through Ground Source Heat pump (GSHP) has been established as an efficient thermodynamic process. The electricity input to the GSHP can be reduced by increasing the COP of the system. However, the COP of a GSHP system will be different for heating and cooling mode operations. Hence in order to reduce the electricity input to the GSHP, an optimum value of COP has to be determined when GSHP is operated in both heating and cooling modes. In the present research, a methodology is proposed to optimize the operating parameters of a GSHP system which will operate on both heating and cooling modes. Condenser inlet temperature, condenser outlet temperature, dryness fraction at evaporator inlet and evaporator outlet temperature are considered as the influencing parameters of the heat pump. Optimization of these parameters for only heating or only cooling mode operation is achieved by employing Taguchi method for three level variations of the above parameters using an L 9 (3 4 ) orthogonal array. Higher the better concept has been used to get a higher COP. A computer program in FORTAN has been developed to carry out the computations and the results have been analyzed for the optimum conditions using Signal-to-Noise (SN) ratio and Analysis Of Variance (ANOVA) method. Based on this analysis, the maximum COP for only heating and only cooling operation are obtained as 4.25 and 3.32 respectively. By making use of the utility concept both the higher values of COP obtained for heating and cooling modes are optimized to get a single optimum COP for heating and cooling modes. A single

Effect of 90-day space flight (MDS-ISS) on immunological parameters in mice: lymphocyte distribution and function

Science.gov (United States)

Roberts, Arthur; Lhuillier, Andrew; Liu, Yi; Ruggiu, Alessandra; Shi, Yufang

Elucidation of the effects of space flight on the immune system of astronauts and other animal species is important for the survival and success of manned space flight, especially long-term missions. Space flight exposes astronauts to microgravity, galactic cosmic radiation (GCR), and various psycho-social stressors. Blood samples from astronauts returning from space flight have shown changes in the numbers and types of circulating leukocytes. Similarly, normal lym-phocyte homeostasis has been shown to be severely affected in mice using ground-based models of microgravity and GCR exposure, as demonstrated by profound effects on several immuno-logical parameters examined by other investigators and ourselves. In particular, lymphocyte numbers are significantly reduced and subpopulation distribution is altered in the spleen, thy-mus, and peripheral blood following hindlimb unloading (HU) in mice. Lymphocyte depletion was found to be mediated through corticosteroid-induced apoptosis, although the molecular mechanism of apoptosis induction is still under investigation. The proliferative capacity of TCR-stimulated lymphocytes was also inhibited after HU. We have similarly shown that mice exposed to high-energy 56Fe ion radiation have decreased lymphocyte numbers and perturba-tions in proportions of various subpopulations, including CD4+ and CD8+ T cells, and B cells in the spleen, and maturation stages of immature T cells in the thymus. To compare these ground-based results to the effects of actual space-flight, fresh spleen and thymus samples were recently obtained from normal and transgenic mice immediately after 90 d. space-flight in the MDS, and identically-housed ground control mice. Total leukocyte numbers in each organ were enumerated, and subpopulation distribution was examined by flow cytometric analysis of CD3, CD4, CD8, CD19, CD25, DX-5, and CD11b. Splenic T cells were stimulated with anti-CD3 and assessed for proliferation after 2-4 d., and production of

Study on TVD parameters sensitivity of a crankshaft using multiple scale and state space method considering quadratic and cubic non-linearities

Directory of Open Access Journals (Sweden)

R. Talebitooti

Full Text Available In this paper the effect of quadratic and cubic non-linearities of the system consisting of the crankshaft and torsional vibration damper (TVD is taken into account. TVD consists of non-linear elastomer material used for controlling the torsional vibration of crankshaft. The method of multiple scales is used to solve the governing equations of the system. Meanwhile, the frequency response of the system for both harmonic and sub-harmonic resonances is extracted. In addition, the effects of detuning parameters and other dimensionless parameters for a case of harmonic resonance are investigated. Moreover, the external forces including both inertia and gas forces are simultaneously applied into the model. Finally, in order to study the effectiveness of the parameters, the dimensionless governing equations of the system are solved, considering the state space method. Then, the effects of the torsional damper as well as all corresponding parameters of the system are discussed.

Disentangling overlapping high-field EPR spectra of organic radicals: Identification of light-induced polarons in the record fullerene-free solar cell blend PBDB-T:ITIC.

Science.gov (United States)

Van Landeghem, Melissa; Maes, Wouter; Goovaerts, Etienne; Van Doorslaer, Sabine

2018-03-01

We present a combined high-field EPR and DFT study of light-induced radicals in the bulk heterojunction blend of PBDB-T:ITIC, currently one of the highest efficiency non-fullerene donor:acceptor combinations in organic photovoltaics. We demonstrate two different approaches for disentangling the strongly overlapping high-field EPR spectra of the positive and negative polarons after charge separation: (1) relaxation-filtered field-swept EPR based on the difference in T 1 spin-relaxation times and (2) field-swept EDNMR-induced EPR by exploiting the presence of 14 N hyperfine couplings in only one of the radical species, the small molecule acceptor radical. The approach is validated by light-induced EPR spectra on related blends and the spectral assignment is underpinned by DFT computations. The broader applicability of the spectral disentangling methods is discussed. Copyright © 2018 Elsevier Inc. All rights reserved.

Polaron effects on the linear and the nonlinear optical absorption coefficients and refractive index changes in cylindrical quantum dots with applied magnetic field

International Nuclear Information System (INIS)

Wu Qingjie; Guo Kangxian; Liu Guanghui; Wu Jinghe

2013-01-01

Polaron effects on the linear and the nonlinear optical absorption coefficients and refractive index changes in cylindrical quantum dots with the radial parabolic potential and the z-direction linear potential with applied magnetic field are theoretically investigated. The optical absorption coefficients and refractive index changes are presented by using the compact-density-matrix approach and iterative method. Numerical calculations are presented for GaAs/AlGaAs. It is found that taking into account the electron-LO-phonon interaction, not only are the linear, the nonlinear and the total optical absorption coefficients and refractive index changes enhanced, but also the total optical absorption coefficients are more sensitive to the incident optical intensity. It is also found that no matter whether the electron-LO-phonon interaction is considered or not, the absorption coefficients and refractive index changes above are strongly dependent on the radial frequency, the magnetic field and the linear potential coefficient.

Neutrino oscillation parameter sampling with MonteCUBES

Science.gov (United States)

Blennow, Mattias; Fernandez-Martinez, Enrique

2010-01-01

We present MonteCUBES ("Monte Carlo Utility Based Experiment Simulator"), a software package designed to sample the neutrino oscillation parameter space through Markov Chain Monte Carlo algorithms. MonteCUBES makes use of the GLoBES software so that the existing experiment definitions for GLoBES, describing long baseline and reactor experiments, can be used with MonteCUBES. MonteCUBES consists of two main parts: The first is a C library, written as a plug-in for GLoBES, implementing the Markov Chain Monte Carlo algorithm to sample the parameter space. The second part is a user-friendly graphical Matlab interface to easily read, analyze, plot and export the results of the parameter space sampling. Program summaryProgram title: MonteCUBES (Monte Carlo Utility Based Experiment Simulator) Catalogue identifier: AEFJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFJ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public Licence No. of lines in distributed program, including test data, etc.: 69 634 No. of bytes in distributed program, including test data, etc.: 3 980 776 Distribution format: tar.gz Programming language: C Computer: MonteCUBES builds and installs on 32 bit and 64 bit Linux systems where GLoBES is installed Operating system: 32 bit and 64 bit Linux RAM: Typically a few MBs Classification: 11.1 External routines: GLoBES [1,2] and routines/libraries used by GLoBES Subprograms used:Cat Id ADZI_v1_0, Title GLoBES, Reference CPC 177 (2007) 439 Nature of problem: Since neutrino masses do not appear in the standard model of particle physics, many models of neutrino masses also induce other types of new physics, which could affect the outcome of neutrino oscillation experiments. In general, these new physics imply high-dimensional parameter spaces that are difficult to explore using classical methods such as multi-dimensional projections and minimizations, such as those

Precision Parameter Estimation and Machine Learning

Science.gov (United States)

Wandelt, Benjamin D.

2008-12-01

I discuss the strategy of ``Acceleration by Parallel Precomputation and Learning'' (AP-PLe) that can vastly accelerate parameter estimation in high-dimensional parameter spaces and costly likelihood functions, using trivially parallel computing to speed up sequential exploration of parameter space. This strategy combines the power of distributed computing with machine learning and Markov-Chain Monte Carlo techniques efficiently to explore a likelihood function, posterior distribution or χ2-surface. This strategy is particularly successful in cases where computing the likelihood is costly and the number of parameters is moderate or large. We apply this technique to two central problems in cosmology: the solution of the cosmological parameter estimation problem with sufficient accuracy for the Planck data using PICo; and the detailed calculation of cosmological helium and hydrogen recombination with RICO. Since the APPLe approach is designed to be able to use massively parallel resources to speed up problems that are inherently serial, we can bring the power of distributed computing to bear on parameter estimation problems. We have demonstrated this with the CosmologyatHome project.

Real-Time Parameter Identification

Data.gov (United States)

National Aeronautics and Space Administration — Armstrong researchers have implemented in the control room a technique for estimating in real time the aerodynamic parameters that describe the stability and control...

Effect of the grain sizes on the photovoltaic parameters of CdTe solar cells prepared by close space sublimation method

International Nuclear Information System (INIS)

Potlog, T.

2007-01-01

Thin Film CdS/CdTe solar cells were fabricated by Close Space Sublimation at the substrate temperature ranging from 300 degrees ± 5 degrees to 340 degrees ± degrees. The best photovoltaic parameters were achieved at substrate temperature 320 degrees and source temperature 610 degrees. The open circuit voltage and current density changes significantly with the substrate temperature and depends on the dimension of the grain sizes. Grain size is an efficiency limiting parameter for CdTe layers with large grains. The open circuit voltage and current density are the best for the cells having dimension of grains between 1.0 μm and ∼ 5.0 μm. CdS/CdTe solar cells with an efficiency of ∼ 10% were obtained. (author)

Interpolation of final geometry and result fields in process parameter space

NARCIS (Netherlands)

Misiun, Grzegorz Stefan; Wang, Chao; Geijselaers, Hubertus J.M.; van den Boogaard, Antonius H.; Saanouni, K.

2016-01-01

Different routes to produce a product in a bulk forming process can be described by a limited set of process parameters. The parameters determine the final geometry as well as the distribution of state variables in the final shape. Ring rolling has been simulated using different parameter settings.

Influence of two-stream relativistic electron beam parameters on the space-charge wave with broad frequency spectrum formation

Science.gov (United States)

Alexander, LYSENKO; Iurii, VOLK

2018-03-01

We developed a cubic non-linear theory describing the dynamics of the multiharmonic space-charge wave (SCW), with harmonics frequencies smaller than the two-stream instability critical frequency, with different relativistic electron beam (REB) parameters. The self-consistent differential equation system for multiharmonic SCW harmonic amplitudes was elaborated in a cubic non-linear approximation. This system considers plural three-wave parametric resonant interactions between wave harmonics and the two-stream instability effect. Different REB parameters such as the input angle with respect to focusing magnetic field, the average relativistic factor value, difference of partial relativistic factors, and plasma frequency of partial beams were investigated regarding their influence on the frequency spectrum width and multiharmonic SCW saturation levels. We suggested ways in which the multiharmonic SCW frequency spectrum widths could be increased in order to use them in multiharmonic two-stream superheterodyne free-electron lasers, with the main purpose of forming a powerful multiharmonic electromagnetic wave.

A fractional factorial probabilistic collocation method for uncertainty propagation of hydrologic model parameters in a reduced dimensional space

Science.gov (United States)

Wang, S.; Huang, G. H.; Huang, W.; Fan, Y. R.; Li, Z.

2015-10-01

In this study, a fractional factorial probabilistic collocation method is proposed to reveal statistical significance of hydrologic model parameters and their multi-level interactions affecting model outputs, facilitating uncertainty propagation in a reduced dimensional space. The proposed methodology is applied to the Xiangxi River watershed in China to demonstrate its validity and applicability, as well as its capability of revealing complex and dynamic parameter interactions. A set of reduced polynomial chaos expansions (PCEs) only with statistically significant terms can be obtained based on the results of factorial analysis of variance (ANOVA), achieving a reduction of uncertainty in hydrologic predictions. The predictive performance of reduced PCEs is verified by comparing against standard PCEs and the Monte Carlo with Latin hypercube sampling (MC-LHS) method in terms of reliability, sharpness, and Nash-Sutcliffe efficiency (NSE). Results reveal that the reduced PCEs are able to capture hydrologic behaviors of the Xiangxi River watershed, and they are efficient functional representations for propagating uncertainties in hydrologic predictions.

Propagation effect on photoluminescence of spin-aligned high-density exciton magnetic polarons in Cd{sub 0.8}Mn{sub 0.2}Te

Energy Technology Data Exchange (ETDEWEB)

Nagata, M.; Hirase, T.; Miyajima, K., E-mail: miyajima@rs.tus.ac.jp

2017-04-15

Characteristics of photoluminescence (PL) originating from high-density exciton magnetic polarons (HD-EMPs) for Cd{sub 0.8}Mn{sub 0.2}Te were investigated. The PL appeared only under selective excitation of the localized excitons, and the intensity increased superlinearly with the excitation density. Directivity of the PL was revealed. Therefore, it is concluded that the superlinear increase in the PL intensity resulted from a light amplification process owing to the stimulated emission. In addition, the existence of birefringence that originates from a uniaxial gradation of the Mn ion concentrations was revealed. The degree of circular polarization (DOCP) of the PL is important to obtain the spin alignment state of the HD-EMPs. The initial DOCPs of the PL were examined by removing a variation of the polarization during propagation inside the sample. As a result, it was found that the initial DOCPs of the PL were almost constant for the photon energy. The obtained initial DOCPs exhibited different values for right- and left-circularly polarized excitations, which resulted from different mechanisms of the spin alignment of the HD-EMPs.

Charting the Parameter Space of the 21-cm Power Spectrum

Science.gov (United States)

Cohen, Aviad; Fialkov, Anastasia; Barkana, Rennan

2018-05-01

The high-redshift 21-cm signal of neutral hydrogen is expected to be observed within the next decade and will reveal epochs of cosmic evolution that have been previously inaccessible. Due to the lack of observations, many of the astrophysical processes that took place at early times are poorly constrained. In recent work we explored the astrophysical parameter space and the resulting large variety of possible global (sky-averaged) 21-cm signals. Here we extend our analysis to the fluctuations in the 21-cm signal, accounting for those introduced by density and velocity, Lyα radiation, X-ray heating, and ionization. While the radiation sources are usually highlighted, we find that in many cases the density fluctuations play a significant role at intermediate redshifts. Using both the power spectrum and its slope, we show that properties of high-redshift sources can be extracted from the observable features of the fluctuation pattern. For instance, the peak amplitude of ionization fluctuations can be used to estimate whether heating occurred early or late and, in the early case, to also deduce the cosmic mean ionized fraction at that time. The slope of the power spectrum has a more universal redshift evolution than the power spectrum itself and can thus be used more easily as a tracer of high-redshift astrophysics. Its peaks can be used, for example, to estimate the redshift of the Lyα coupling transition and the redshift of the heating transition (and the mean gas temperature at that time). We also show that a tight correlation is predicted between features of the power spectrum and of the global signal, potentially yielding important consistency checks.

Large model-space calculation of the nuclear level density parameter

International Nuclear Information System (INIS)

Agrawal, B.K.; Samaddar, S.K.; De, J.N.; Shlomo, S.

1998-01-01

Recently, several attempts have been made to obtain nuclear level density (ρ) and level density parameter (α) within the microscopic approaches based on path integral representation of the partition function. The results for the inverse level density parameter K es and the level density as a function of excitation energy are presented

GMC COLLISIONS AS TRIGGERS OF STAR FORMATION. I. PARAMETER SPACE EXPLORATION WITH 2D SIMULATIONS

Energy Technology Data Exchange (ETDEWEB)

Wu, Benjamin [Department of Physics, University of Florida, Gainesville, FL 32611 (United States); Loo, Sven Van [School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT (United Kingdom); Tan, Jonathan C. [Departments of Astronomy and Physics, University of Florida, Gainesville, FL 32611 (United States); Bruderer, Simon, E-mail: benwu@phys.ufl.edu [Max Planck Institute for Extraterrestrial Physics, Giessenbachstrasse 1, D-85748 Garching (Germany)

2015-09-20

We utilize magnetohydrodynamic (MHD) simulations to develop a numerical model for giant molecular cloud (GMC)–GMC collisions between nearly magnetically critical clouds. The goal is to determine if, and under what circumstances, cloud collisions can cause pre-existing magnetically subcritical clumps to become supercritical and undergo gravitational collapse. We first develop and implement new photodissociation region based heating and cooling functions that span the atomic to molecular transition, creating a multiphase ISM and allowing modeling of non-equilibrium temperature structures. Then in 2D and with ideal MHD, we explore a wide parameter space of magnetic field strength, magnetic field geometry, collision velocity, and impact parameter and compare isolated versus colliding clouds. We find factors of ∼2–3 increase in mean clump density from typical collisions, with strong dependence on collision velocity and magnetic field strength, but ultimately limited by flux-freezing in 2D geometries. For geometries enabling flow along magnetic field lines, greater degrees of collapse are seen. We discuss observational diagnostics of cloud collisions, focussing on {sup 13}CO(J = 2–1), {sup 13}CO(J = 3–2), and {sup 12}CO(J = 8–7) integrated intensity maps and spectra, which we synthesize from our simulation outputs. We find that the ratio of J = 8–7 to lower-J emission is a powerful diagnostic probe of GMC collisions.

Tracking in Object Action Space

DEFF Research Database (Denmark)

Krüger, Volker; Herzog, Dennis

2013-01-01

the space of the object affordances, i.e., the space of possible actions that are applied on a given object. This way, 3D body tracking reduces to action tracking in the object (and context) primed parameter space of the object affordances. This reduces the high-dimensional joint-space to a low...

Planning ahead for asteroid and comet hazard mitigation, phase 1: parameter space exploration and scenario modeling

Energy Technology Data Exchange (ETDEWEB)

Plesko, Catherine S [Los Alamos National Laboratory; Clement, R Ryan [Los Alamos National Laboratory; Weaver, Robert P [Los Alamos National Laboratory; Bradley, Paul A [Los Alamos National Laboratory; Huebner, Walter F [Los Alamos National Laboratory

2009-01-01

The mitigation of impact hazards resulting from Earth-approaching asteroids and comets has received much attention in the popular press. However, many questions remain about the near-term and long-term, feasibility and appropriate application of all proposed methods. Recent and ongoing ground- and space-based observations of small solar-system body composition and dynamics have revolutionized our understanding of these bodies (e.g., Ryan (2000), Fujiwara et al. (2006), and Jedicke et al. (2006)). Ongoing increases in computing power and algorithm sophistication make it possible to calculate the response of these inhomogeneous objects to proposed mitigation techniques. Here we present the first phase of a comprehensive hazard mitigation planning effort undertaken by Southwest Research Institute and Los Alamos National Laboratory. We begin by reviewing the parameter space of the object's physical and chemical composition and trajectory. We then use the radiation hydrocode RAGE (Gittings et al. 2008), Monte Carlo N-Particle (MCNP) radiation transport (see Clement et al., this conference), and N-body dynamics codes to explore the effects these variations in object properties have on the coupling of energy into the object from a variety of mitigation techniques, including deflection and disruption by nuclear and conventional munitions, and a kinetic impactor.

Path integral of the angular momentum eigenstates evolving with the parameter linked with rotation angle under the space rotation transformation

International Nuclear Information System (INIS)

Zhang Zhongcan; Hu Chenguo; Fang Zhenyun

1998-01-01

The authors study the method which directly adopts the azimuthal angles and the rotation angle of the axis to describe the evolving process of the angular momentum eigenstates under the space rotation transformation. The authors obtain the angular momentum rotation and multi-rotation matrix elements' path integral which evolves with the parameter λ(0→θ,θ the rotation angle), and establish the general method of treating the functional (path) integral as a normal multi-integrals

Thermoelectric Power and Normal State of the High - Tc Copper Oxides

International Nuclear Information System (INIS)

Goodenough, J.B.; Zhou, J.S.; Besuker, G.I.

1995-01-01

The temperature dependence of the thermoelectric power and resistance for the system La 2-x Sr x CuO 4 , 0≤ x ≤0.30, are presented and interpreted. The following model emerges: (1) In the underdoped region 0 2 sheets by Sr substitution form non-adiabatic large polarons containing 6 ± 1 Cu atoms; a cooperative pseudo Jahn-Teller vibronic coupling increases the size of the polaron, but a contraction of the equilibrium Cu-O distance inside the polaron limits the size. Polaron motion occurs via a tunneling of one Cu - O bond at a time. A dynamic segregation into a hole-poor parent phase and a hole-rich superconductive phase occurs below 150K. (2) The range 0.10 2 sheet. In the polaron liquid, pairs of polarons form zig-zag polaron chains; these chains form an ordered array of alternating polaron and parent-phase stripes. Complete ordering of the stripes occurs below Tc. (4) In the overdoped region x>0.27, polaron overcrowding suppresses polaron formation; however, the vibronic coupling stabilized by the dynamic pseudo Jahn -Teller deformations persists to give unusual properties to the overdoped metallic phase. (author)

Monte Carlo study of efficiency roll-off of phosphorescent organic light-emitting diodes: Evidence for dominant role of triplet-polaron quenching

Energy Technology Data Exchange (ETDEWEB)

Eersel, H. van, E-mail: h.v.eersel@tue.nl; Coehoorn, R. [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Philips Research Laboratories, High Tech Campus 4, 5656 AE Eindhoven (Netherlands); Bobbert, P. A.; Janssen, R. A. J. [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands)

2014-10-06

We present an advanced molecular-scale organic light-emitting diode (OLED) model, integrating both electronic and excitonic processes. Using this model, we can reproduce the measured efficiency roll-off for prototypical phosphorescent OLED stacks based on the green dye tris[2-phenylpyridine]iridium (Ir(ppy){sub 3}) and the red dye octaethylporphine platinum (PtOEP) and study the cause of the roll-off as function of the current density. Both the voltage versus current density characteristics and roll-off agree well with experimental data. Surprisingly, the results of the simulations lead us to conclude that, contrary to what is often assumed, not triplet-triplet annihilation but triplet-polaron quenching is the dominant mechanism causing the roll-off under realistic operating conditions. Simulations for devices with an optimized recombination profile, achieved by carefully tuning the dye trap depth, show that it will be possible to fabricate OLEDs with a drastically reduced roll-off. It is envisaged that J{sub 90}, the current density at which the efficiency is reduced to 90%, can be increased by almost one order of magnitude as compared to the experimental state-of-the-art.

Monte Carlo study of efficiency roll-off of phosphorescent organic light-emitting diodes: Evidence for dominant role of triplet-polaron quenching

International Nuclear Information System (INIS)

Eersel, H. van; Coehoorn, R.; Bobbert, P. A.; Janssen, R. A. J.

2014-01-01

We present an advanced molecular-scale organic light-emitting diode (OLED) model, integrating both electronic and excitonic processes. Using this model, we can reproduce the measured efficiency roll-off for prototypical phosphorescent OLED stacks based on the green dye tris[2-phenylpyridine]iridium (Ir(ppy) 3 ) and the red dye octaethylporphine platinum (PtOEP) and study the cause of the roll-off as function of the current density. Both the voltage versus current density characteristics and roll-off agree well with experimental data. Surprisingly, the results of the simulations lead us to conclude that, contrary to what is often assumed, not triplet-triplet annihilation but triplet-polaron quenching is the dominant mechanism causing the roll-off under realistic operating conditions. Simulations for devices with an optimized recombination profile, achieved by carefully tuning the dye trap depth, show that it will be possible to fabricate OLEDs with a drastically reduced roll-off. It is envisaged that J 90 , the current density at which the efficiency is reduced to 90%, can be increased by almost one order of magnitude as compared to the experimental state-of-the-art.

Changes in Periodontal and Microbial Parameters after the Space ...

African Journals Online (AJOL)

Aim: This study aims to evaluate the clinical and microbiological changes accompanying the inflammatory process of periodontal tissues during treatment with space maintainers (SMs). Materials and Methods: The children were separated into fixed (Group 1, n = 20) and removable (Group 2, n = 20) appliance groups.

Trading Time with Space - Development of subduction zone parameter database for a maximum magnitude correlation assessment

Science.gov (United States)

Schaefer, Andreas; Wenzel, Friedemann

2017-04-01

Subduction zones are generally the sources of the earthquakes with the highest magnitudes. Not only in Japan or Chile, but also in Pakistan, the Solomon Islands or for the Lesser Antilles, subduction zones pose a significant hazard for the people. To understand the behavior of subduction zones, especially to identify their capabilities to produce maximum magnitude earthquakes, various physical models have been developed leading to a large number of various datasets, e.g. from geodesy, geomagnetics, structural geology, etc. There have been various studies to utilize this data for the compilation of a subduction zone parameters database, but mostly concentrating on only the major zones. Here, we compile the largest dataset of subduction zone parameters both in parameter diversity but also in the number of considered subduction zones. In total, more than 70 individual sources have been assessed and the aforementioned parametric data have been combined with seismological data and many more sources have been compiled leading to more than 60 individual parameters. Not all parameters have been resolved for each zone, since the data completeness depends on the data availability and quality for each source. In addition, the 3D down-dip geometry of a majority of the subduction zones has been resolved using historical earthquake hypocenter data and centroid moment tensors where available and additionally compared and verified with results from previous studies. With such a database, a statistical study has been undertaken to identify not only correlations between those parameters to estimate a parametric driven way to identify potentials for maximum possible magnitudes, but also to identify similarities between the sources themselves. This identification of similarities leads to a classification system for subduction zones. Here, it could be expected if two sources share enough common characteristics, other characteristics of interest may be similar as well. This concept

The linear parameters and the decoupling matrix for linearly coupled motion in 6 dimensional phase space

International Nuclear Information System (INIS)

Parzen, G.

1997-01-01

It will be shown that starting from a coordinate system where the 6 phase space coordinates are linearly coupled, one can go to a new coordinate system, where the motion is uncoupled, by means of a linear transformation. The original coupled coordinates and the new uncoupled coordinates are related by a 6 x 6 matrix, R. It will be shown that of the 36 elements of the 6 x 6 decoupling matrix R, only 12 elements are independent. A set of equations is given from which the 12 elements of R can be computed form the one period transfer matrix. This set of equations also allows the linear parameters, the β i , α i , i = 1, 3, for the uncoupled coordinates, to be computed from the one period transfer matrix

Parameter spaces for linear and nonlinear whistler-mode waves

International Nuclear Information System (INIS)

Summers, Danny; Tang, Rongxin; Omura, Yoshiharu; Lee, Dong-Hun

2013-01-01

We examine the growth of magnetospheric whistler-mode waves which comprises a linear growth phase followed by a nonlinear growth phase. We construct time-profiles for the wave amplitude that smoothly match at the transition between linear and nonlinear wave growth. This matching procedure can only take place over a limited “matching region” in (N h /N 0 ,A T )-space, where A T is the electron thermal anisotropy, N h is the hot (energetic) electron number density, and N 0 is the cold (background) electron number density. We construct this matching region and determine how the matching wave amplitude varies throughout the region. Further, we specify a boundary in (N h /N 0 ,A T )-space that separates a region where only linear chorus wave growth can occur from the region in which fully nonlinear chorus growth is possible. We expect that this boundary should prove of practical use in performing computationally expensive full-scale particle simulations, and in interpreting experimental wave data

Nash equilibria in quantum games with generalized two-parameter strategies

International Nuclear Information System (INIS)

Flitney, Adrian P.; Hollenberg, Lloyd C.L.

2007-01-01

In the Eisert protocol for 2x2 quantum games [J. Eisert, et al., Phys. Rev. Lett. 83 (1999) 3077], a number of authors have investigated the features arising from making the strategic space a two-parameter subset of single qubit unitary operators. We argue that the new Nash equilibria and the classical-quantum transitions that occur are simply an artifact of the particular strategy space chosen. By choosing a different, but equally plausible, two-parameter strategic space we show that different Nash equilibria with different classical-quantum transitions can arise. We generalize the two-parameter strategies and also consider these strategies in a multiplayer setting

On the structure of physical space

CERN Document Server

Wisnivesky, D

2001-01-01

In this paper we develop a theory based on the postulate that the environment where physical phenomena take place is the space of four complex parameters of the linear group of transformations. Using these parameters as fundamental building blocks we construct ordinary space-time and the internal space. Lorentz invariance is built in the definition of external space, while the symmetry of the internal space, S(1)*SU(2) results as a consequence of the identification of the external coordinates. Thus, special relativity and the electroweak interaction symmetry ensue from the properties of the basic building blocks of physical space. Since internal and external space are derived from a common structure, there is no need to bring into the theory any additional hypothesis to account for the microscopic nature of the internal space, nor to introduce symmetry breaking mechanisms that would normally be required to force a splitting of the internal and external symmetries. As an outcome of the existence of a basic str...

"A space-time ensemble Kalman filter for state and parameter estimation of groundwater transport models"

Science.gov (United States)

Briseño, Jessica; Herrera, Graciela S.

2010-05-01

Herrera (1998) proposed a method for the optimal design of groundwater quality monitoring networks that involves space and time in a combined form. The method was applied later by Herrera et al (2001) and by Herrera and Pinder (2005). To get the estimates of the contaminant concentration being analyzed, this method uses a space-time ensemble Kalman filter, based on a stochastic flow and transport model. When the method is applied, it is important that the characteristics of the stochastic model be congruent with field data, but, in general, it is laborious to manually achieve a good match between them. For this reason, the main objective of this work is to extend the space-time ensemble Kalman filter proposed by Herrera, to estimate the hydraulic conductivity, together with hydraulic head and contaminant concentration, and its application in a synthetic example. The method has three steps: 1) Given the mean and the semivariogram of the natural logarithm of hydraulic conductivity (ln K), random realizations of this parameter are obtained through two alternatives: Gaussian simulation (SGSim) and Latin Hypercube Sampling method (LHC). 2) The stochastic model is used to produce hydraulic head (h) and contaminant (C) realizations, for each one of the conductivity realizations. With these realization the mean of ln K, h and C are obtained, for h and C, the mean is calculated in space and time, and also the cross covariance matrix h-ln K-C in space and time. The covariance matrix is obtained averaging products of the ln K, h and C realizations on the estimation points and times, and the positions and times with data of the analyzed variables. The estimation points are the positions at which estimates of ln K, h or C are gathered. In an analogous way, the estimation times are those at which estimates of any of the three variables are gathered. 3) Finally the ln K, h and C estimate are obtained using the space-time ensemble Kalman filter. The realization mean for each one

Remote sensing of refractivity from space for global observations of atmospheric parameters

International Nuclear Information System (INIS)

Gorbunov, M.E.; Sokolovskiy, S.V.

1993-01-01

This report presents the first results of computational simulations on the retrieval of meteorological parameters from space refractometric data on the basis of the ECHAM 3 model developed at the Max Planck Institute for Meteorology (Roeckner et al. 1992). For this purpose the grid fields of temperature, geopotential and humidity available from the model were interpolated and a continuous spatial field of refractivity (together with its first derivative) was generated. This field was used for calculating the trajectories of electromagnetic rays for the given orbits of transmitting and receiving satellites and for the determination of the quantities (incident angles or Doppler frequency shifts) being measured at receiving satellite during occultation. These quantities were then used for solving the inverse problem - retrieving the distribution of refractivity in the vicinity of the ray perigees. The retrieved refractivity was used to calculate pressure and temperature (using the hydrostatic equation and the equation of state). The results were compared with initial data, and the retrieval errors were evaluated. The study shows that the refractivity can be retrieved with very high accuracy in particular if a tomographic reconstruction is applied. Effects of humidity and temperature are not separable. Stratospheric temperatures globally and upper tropospheric temperatures at middle and high latitudes can be accurately retrieved, other areas require humidity data. Alternatively humidity data can be retrieved if the temperature fields are known. (orig.)

Estimates for Parameter Littlewood-Paley gκ⁎ Functions on Nonhomogeneous Metric Measure Spaces

Directory of Open Access Journals (Sweden)

Guanghui Lu

2016-01-01

Full Text Available Let (X,d,μ be a metric measure space which satisfies the geometrically doubling measure and the upper doubling measure conditions. In this paper, the authors prove that, under the assumption that the kernel of Mκ⁎ satisfies a certain Hörmander-type condition, Mκ⁎,ρ is bounded from Lebesgue spaces Lp(μ to Lebesgue spaces Lp(μ for p≥2 and is bounded from L1(μ into L1,∞(μ. As a corollary, Mκ⁎,ρ is bounded on Lp(μ for 1space H1(μ into the Lebesgue space L1(μ.

Electrical transport properties of V2O5 thin films obtained by thermal annealing of layers grown by RF magnetron sputtering at room temperature

International Nuclear Information System (INIS)

Giannetta, H.M.R.; Calaza, C.; Lamas, D.G.; Fonseca, L.; Fraigi, L.

2015-01-01

The present study investigates the main electrical transport mechanism in V 2 O 5 thin films deposited by RF magnetron sputtering on the basis of the Mott's small polaron hopping model. The material under test was obtained at room temperature from a V 2 O 5 target and then oxidized at high temperature under air atmosphere to obtain the desired V 2 O 5 phase. The dependence of the electrical conductivity of the V 2 O 5 thin films with temperature was analyzed using the Mott's small polarons hopping transport model under the Schnakenberg form. Model results suggest a polaron binding energy W H = 0.1682 eV, with a structural disorder energy W D = 0.2241 eV and an optical phonon frequency ν 0 = 0.468 × 10 13 s −1 . These results are in agreement with data reported in literature for single crystal V 2 O 5 . However, the carrier mobility μ = 1.5019 × 10 −5 cm 2 /Vs computed in the non-adiabatic regime is significantly smaller than that of the single crystal, suggesting a strong electron–phonon coupling in the V 2 O 5 thin films obtained with the proposed deposition method. - Highlights: • A two-stage deposition method compatible with lift-off patterning is proposed. • V 2 O 5 films are deposited by RF magnetron sputtering and then annealed in air. • Films are analyzed by SEM and its pure phase nature is confirmed by XRD. • Electrical conductivity was fitted using Mott's model for small polarons. • Fit derived parameters confirm charge transport through small-polarons hopping

Spin Hall effect on a noncommutative space

International Nuclear Information System (INIS)

Ma Kai; Dulat, Sayipjamal

2011-01-01

We study the spin-orbital interaction and the spin Hall effect of an electron moving on a noncommutative space under the influence of a vector potential A(vector sign). On a noncommutative space, we find that the commutator between the vector potential A(vector sign) and the electric potential V 1 (r(vector sign)) of the lattice induces a new term, which can be treated as an effective electric field, and the spin Hall conductivity obtains some correction. On a noncommutative space, the spin current and spin Hall conductivity have distinct values in different directions, and depend explicitly on the noncommutative parameter. Once this spin Hall conductivity in different directions can be measured experimentally with a high level of accuracy, the data can then be used to impose bounds on the value of the space noncommutativity parameter. We have also defined a new parameter, σ=ρθ (ρ is the electron concentration, θ is the noncommutativity parameter), which can be measured experimentally. Our approach is based on the Foldy-Wouthuysen transformation, which gives a general Hamiltonian of a nonrelativistic electron moving on a noncommutative space.

Transport-entropy correlations in La0.7Ca0.3MnO3 manganite

International Nuclear Information System (INIS)

Debnath, J.C.; Strydom, A.M.

2014-01-01

An investigation of the magnetic entropy change ΔS M and resistivity ρ, and the relation between them, for La 0.7 Ca 0.3 MnO 3 (LCMO) material has been presented. By using an equation of the form ΔS M =−α∫ 0 H [(δln(ρ))/(δT) ] H dH (α=9.98 emu/g), which relates magnetic order to transport behavior of the compounds, we measure the magnetic entropy change ΔS M from the resistivity measurement, where the resistivity results agree quite well with the fitting parameter α=9.98 emu/g in the intermediate temperature range. This result reveals the predominant role of magnetic polarons on the magnetoresistive property of manganites. It is obvious that magnetic disorder, characterized by ΔS M , affects the magnetic polarons, while the magnetic polarons influence the electronic transport properties, which may be the underlying reason for a salient ΔS M −ρ relation. It also provides an alternative method to determine magnetic entropy change on the basis of resistive measurements

Infrared spectroscopic study of CaFe0.7Co0.3O3

Science.gov (United States)

Zhang, C. X.; Xia, H. L.; Dai, Y. M.; Qiu, Z. Y.; Sui, Q. T.; Long, Y. W.; Qiu, X. G.

2017-08-01

Temperature-dependent infrared spectroscopy has been investigated for CaFe0.7Co0.3O3 which undergoes a ferromagnetic transition at TC≈177 K . It is observed that the spectral weight is transferred from ˜4800 -14 000 cm-1 to ˜0 -4800 cm-1 as the temperature is lowered around TC. Such a large-range spectral weight transfer is attributed to the Hund's interaction. The phonons in CaFe0.7Co0.3O3 show minor asymmetric line shapes, implying relatively weak electron-phonon coupling compared with the parent compound CaFeO3. The optical conductivity also reveals a broad peak structure in the range of ˜700 -1500 cm-1. Fit by the model of single-polaron absorption, the broad peak is interpreted by the excitation of polarons. From the fitting parameters of the polaron peak, we estimate the electron-phonon coupling constant α ˜ 0.4 -0.5 , implying that CaFe0.7Co0.3O3 falls into the weak-coupling regime.

Nucleon-deuteron low energy parameters

International Nuclear Information System (INIS)

Zankel, H.; Mathelitsch, L.

1983-01-01

Momentum space Fadeev equations are solved for nucleon-deuteron scattering and effective range parameters are calculated. A reverse trend is found in the two spin states by 4 asub(nd) 4 asub(pd) and 2 asub(pd) 2 asub(nd) which is in agreement with a configuration space calculation, but in conflict with all existing experiments. The Coulomb contributions to the effective range are small in quartet but sizeable in doublet scattering. (Author)

Calculation of the level density parameter using semi-classical approach

International Nuclear Information System (INIS)

Canbula, B.; Babacan, H.

2011-01-01

The level density parameters (level density parameter a and energy shift δ) for back-shifted Fermi gas model have been determined for 1136 nuclei for which complete level scheme is available. Level density parameter is calculated by using the semi-classical single particle level density, which can be obtained analytically through spherical harmonic oscillator potential. This method also enables us to analyze the Coulomb potential's effect on the level density parameter. The dependence of this parameter on energy has been also investigated. Another parameter, δ, is determined by fitting of the experimental level scheme and the average resonance spacings for 289 nuclei. Only level scheme is used for optimization procedure for remaining 847 nuclei. Level densities for some nuclei have been calculated by using these parameter values. Obtained results have been compared with the experimental level scheme and the resonance spacing data.

Displacement in the parameter space versus spurious solution of discretization with large time step

International Nuclear Information System (INIS)

Mendes, Eduardo; Letellier, Christophe

2004-01-01

In order to investigate a possible correspondence between differential and difference equations, it is important to possess discretization of ordinary differential equations. It is well known that when differential equations are discretized, the solution thus obtained depends on the time step used. In the majority of cases, such a solution is considered spurious when it does not resemble the expected solution of the differential equation. This often happens when the time step taken into consideration is too large. In this work, we show that, even for quite large time steps, some solutions which do not correspond to the expected ones are still topologically equivalent to solutions of the original continuous system if a displacement in the parameter space is considered. To reduce such a displacement, a judicious choice of the discretization scheme should be made. To this end, a recent discretization scheme, based on the Lie expansion of the original differential equations, proposed by Monaco and Normand-Cyrot will be analysed. Such a scheme will be shown to be sufficient for providing an adequate discretization for quite large time steps compared to the pseudo-period of the underlying dynamics

Climate and energy use in glazed spaces

Energy Technology Data Exchange (ETDEWEB)

Wall, M.

1996-11-01

One objective of the thesis has been to elucidate the relationship between building design and the climate, thermal comfort and energy requirements in different types of glazed spaces. Another object has been to study the effect of the glazed spaces on energy requirements in adjacent buildings. It has also been the object to develop a simple calculation method for the assessment of temperatures and energy requirements in glazed spaces. The research work has mainly comprised case studies of existing buildings with glazed spaces and energy balance calculations using both the developed steady-state method and a dynamic building energy simulation program. Parameters such as the geometry of the building, type of glazing, orientation, thermal inertia, airtightness, ventilation system and sunshades have been studied. These parameters are of different importance for each specific type of glazed space. In addition, the significance of each of these parameters varies for different types of glazed spaces. The developed calculation method estimates the minimum and mean temperature in glazed spaces and the energy requirements for heating and cooling. The effect of the glazed space on the energy requirement of the surrounding buildings can also be estimated. It is intended that the method should be applied during the preliminary design stage so that the effect which the design of the building will have on climate and energy requirement may be determined. The method may provide an insight into how glazed spaces behave with regard to climate and energy. 99 refs

Interrelated experiments in laboratory and space plasmas

International Nuclear Information System (INIS)

Koepke, M. E.

2005-01-01

Many advances in understanding space plasma phenomena have been linked to insight derived from theoretical modelling and/or laboratory experiments. Here are discussed advances for which laboratory experiments played an important role. How the interpretation of the space plasma data was influenced by one or more laboratory experiments is described. The space-motivation of laboratory investigations and the scaling of laboratory plasma parameters to space plasma conditions are discussed. Examples demonstrating how laboratory experiments develop physical insight, benchmark theoretical models, discover unexpected behaviour, establish observational signatures, and pioneer diagnostic methods for the space community are presented. The various device configurations found in space-related laboratory investigations are outlined. A primary objective of this review is to articulate the overlapping scientific issues that are addressable in space and lab experiments. A secondary objective is to convey the wide range of laboratory and space plasma experiments involved in this interdisciplinary alliance. The interrelation ship between plasma experiments in the laboratory and in space has a long history, with numerous demonstrations of the benefits afforded the space community by laboratory results. An experiment's suitability and limitations for investigating space processes can be quantitatively established using dimensionless parameters. Even with a partial match of these parameters, aspects of waves, instabilities, nonlinearities, particle transport, reconnection, and hydrodynamics are addressable in a way useful to observers and modelers of space phenomena. Because diagnostic access to space plasmas, laboratory-experimentalists awareness of space phenomena, and efforts by theorists and funding agencies to help scientists bridge the gap between the space and laboratory communities are increasing, the range of laboratory and space plasma experiments with overlapping scientific

Space Shuttle and Space Station Radio Frequency (RF) Exposure Analysis

Science.gov (United States)

Hwu, Shian U.; Loh, Yin-Chung; Sham, Catherine C.; Kroll, Quin D.

2005-01-01

This paper outlines the modeling techniques and important parameters to define a rigorous but practical procedure that can verify the compliance of RF exposure to the NASA standards for astronauts and electronic equipment. The electromagnetic modeling techniques are applied to analyze RF exposure in Space Shuttle and Space Station environments with reasonable computing time and resources. The modeling techniques are capable of taking into account the field interactions with Space Shuttle and Space Station structures. The obtained results illustrate the multipath effects due to the presence of the space vehicle structures. It's necessary to include the field interactions with the space vehicle in the analysis for an accurate assessment of the RF exposure. Based on the obtained results, the RF keep out zones are identified for appropriate operational scenarios, flight rules and necessary RF transmitter constraints to ensure a safe operating environment and mission success.

Electrical transport properties of V{sub 2}O{sub 5} thin films obtained by thermal annealing of layers grown by RF magnetron sputtering at room temperature

Energy Technology Data Exchange (ETDEWEB)

Giannetta, H.M.R., E-mail: hgiann@inti.gov.ar [Centro de Micro y Nano Electrónica del Bicentenario (CMNB), Instituto Nacional de Tecnología Industrial (INTI), San Martín, Buenos Aires (Argentina); Universidad Tecnológica Nacional (UTN) — Facultad Regional Buenos Aires (FRBA) (Argentina); Calaza, C. [Instituto de Microelectrónica de Barcelona, Centro Nacional de Microelectrónica (IMB-CNM, CSIC), Campus UAB, Bellaterra, 08193 Barcelona (Spain); Lamas, D.G. [Universidad Nacional del Comahue CONICET-CITEFA — Laboratorio de Caracterización de Materiales, Facultad de Ingeniería, Neuquen (Argentina); Fonseca, L. [Instituto de Microelectrónica de Barcelona, Centro Nacional de Microelectrónica (IMB-CNM, CSIC), Campus UAB, Bellaterra, 08193 Barcelona (Spain); Fraigi, L. [Centro de Micro y Nano Electrónica del Bicentenario (CMNB), Instituto Nacional de Tecnología Industrial (INTI), San Martín, Buenos Aires (Argentina); Universidad Tecnológica Nacional (UTN) — Facultad Regional Buenos Aires (FRBA) (Argentina)

2015-08-31

The present study investigates the main electrical transport mechanism in V{sub 2}O{sub 5} thin films deposited by RF magnetron sputtering on the basis of the Mott's small polaron hopping model. The material under test was obtained at room temperature from a V{sub 2}O{sub 5} target and then oxidized at high temperature under air atmosphere to obtain the desired V{sub 2}O{sub 5} phase. The dependence of the electrical conductivity of the V{sub 2}O{sub 5} thin films with temperature was analyzed using the Mott's small polarons hopping transport model under the Schnakenberg form. Model results suggest a polaron binding energy W{sub H} = 0.1682 eV, with a structural disorder energy W{sub D} = 0.2241 eV and an optical phonon frequency ν{sub 0} = 0.468 × 10{sup 13}s{sup −1}. These results are in agreement with data reported in literature for single crystal V{sub 2}O{sub 5}. However, the carrier mobility μ = 1.5019 × 10{sup −5} cm{sup 2}/Vs computed in the non-adiabatic regime is significantly smaller than that of the single crystal, suggesting a strong electron–phonon coupling in the V{sub 2}O{sub 5} thin films obtained with the proposed deposition method. - Highlights: • A two-stage deposition method compatible with lift-off patterning is proposed. • V{sub 2}O{sub 5} films are deposited by RF magnetron sputtering and then annealed in air. • Films are analyzed by SEM and its pure phase nature is confirmed by XRD. • Electrical conductivity was fitted using Mott's model for small polarons. • Fit derived parameters confirm charge transport through small-polarons hopping.

Transport regimes spanning magnetization-coupling phase space

Science.gov (United States)

Baalrud, Scott D.; Daligault, Jérôme

2017-10-01

The manner in which transport properties vary over the entire parameter-space of coupling and magnetization strength is explored. Four regimes are identified based on the relative size of the gyroradius compared to other fundamental length scales: the collision mean free path, Debye length, distance of closest approach, and interparticle spacing. Molecular dynamics simulations of self-diffusion and temperature anisotropy relaxation spanning the parameter space are found to agree well with the predicted boundaries. Comparison with existing theories reveals regimes where they succeed, where they fail, and where no theory has yet been developed.

Effect of temperature on the AC impedance of protein

Indian Academy of Sciences (India)

The depression parameter reveals the electrical equivalent circuit for the biopolymers. The AC electrical conductivity in the biopolymers follows the universal power law. From this, it is observed that the AC conductivity is frequency dependent and the biopolymer papain obeys large polaron tunnelling model, gum acacia and ...

Effect of temperature on the AC impedance of protein and ...

Indian Academy of Sciences (India)

2016-08-26

Aug 26, 2016 ... The depression parameter reveals the electrical equivalent circuit for the biopolymers. The AC electrical conductivity in the biopolymers follows the universal power law. From this, it is observed that the AC conductivity is frequency dependent and the biopolymer papain obeys large polaron tunnelling model ...

Regulation of NF-κB oscillation by spatial parameters in true intracellular space (TiCS)

Science.gov (United States)

Ohshima, Daisuke; Sagara, Hiroshi; Ichikawa, Kazuhisa

2013-10-01

Transcription factor NF-κB is activated by cytokine stimulation, viral infection, or hypoxic environment leading to its translocation to the nucleus. The nuclear NF-κB is exported from the nucleus to the cytoplasm again, and by repetitive import and export, NF-κB shows damped oscillation with the period of 1.5-2.0 h. Oscillation pattern of NF-κB is thought to determine the gene expression profile. We published a report on a computational simulation for the oscillation of nuclear NF-κB in a 3D spherical cell, and showed the importance of spatial parameters such as diffusion coefficient and locus of translation for determining the oscillation pattern. Although the value of diffusion coefficient is inherent to protein species, its effective value can be modified by organelle crowding in intracellular space. Here we tested this possibility by computer simulation. The results indicate that the effective value of diffusion coefficient is significantly changed by the organelle crowding, and this alters the oscillation pattern of nuclear NF-κB.

Adaptive Parameter Estimation of Person Recognition Model in a Stochastic Human Tracking Process

Science.gov (United States)

Nakanishi, W.; Fuse, T.; Ishikawa, T.

2015-05-01

This paper aims at an estimation of parameters of person recognition models using a sequential Bayesian filtering method. In many human tracking method, any parameters of models used for recognize the same person in successive frames are usually set in advance of human tracking process. In real situation these parameters may change according to situation of observation and difficulty level of human position prediction. Thus in this paper we formulate an adaptive parameter estimation using general state space model. Firstly we explain the way to formulate human tracking in general state space model with their components. Then referring to previous researches, we use Bhattacharyya coefficient to formulate observation model of general state space model, which is corresponding to person recognition model. The observation model in this paper is a function of Bhattacharyya coefficient with one unknown parameter. At last we sequentially estimate this parameter in real dataset with some settings. Results showed that sequential parameter estimation was succeeded and were consistent with observation situations such as occlusions.

Probability Distribution for Flowing Interval Spacing

International Nuclear Information System (INIS)

S. Kuzio

2004-01-01

Fracture spacing is a key hydrologic parameter in analyses of matrix diffusion. Although the individual fractures that transmit flow in the saturated zone (SZ) cannot be identified directly, it is possible to determine the fractured zones that transmit flow from flow meter survey observations. The fractured zones that transmit flow as identified through borehole flow meter surveys have been defined in this report as flowing intervals. The flowing interval spacing is measured between the midpoints of each flowing interval. The determination of flowing interval spacing is important because the flowing interval spacing parameter is a key hydrologic parameter in SZ transport modeling, which impacts the extent of matrix diffusion in the SZ volcanic matrix. The output of this report is input to the ''Saturated Zone Flow and Transport Model Abstraction'' (BSC 2004 [DIRS 170042]). Specifically, the analysis of data and development of a data distribution reported herein is used to develop the uncertainty distribution for the flowing interval spacing parameter for the SZ transport abstraction model. Figure 1-1 shows the relationship of this report to other model reports that also pertain to flow and transport in the SZ. Figure 1-1 also shows the flow of key information among the SZ reports. It should be noted that Figure 1-1 does not contain a complete representation of the data and parameter inputs and outputs of all SZ reports, nor does it show inputs external to this suite of SZ reports. Use of the developed flowing interval spacing probability distribution is subject to the limitations of the assumptions discussed in Sections 5 and 6 of this analysis report. The number of fractures in a flowing interval is not known. Therefore, the flowing intervals are assumed to be composed of one flowing zone in the transport simulations. This analysis may overestimate the flowing interval spacing because the number of fractures that contribute to a flowing interval cannot be

Biomedical engineering strategies in system design space.

Science.gov (United States)

Savageau, Michael A

2011-04-01

Modern systems biology and synthetic bioengineering face two major challenges in relating properties of the genetic components of a natural or engineered system to its integrated behavior. The first is the fundamental unsolved problem of relating the digital representation of the genotype to the analog representation of the parameters for the molecular components. For example, knowing the DNA sequence does not allow one to determine the kinetic parameters of an enzyme. The second is the fundamental unsolved problem of relating the parameters of the components and the environment to the phenotype of the global system. For example, knowing the parameters does not tell one how many qualitatively distinct phenotypes are in the organism's repertoire or the relative fitness of the phenotypes in different environments. These also are challenges for biomedical engineers as they attempt to develop therapeutic strategies to treat pathology or to redirect normal cellular functions for biotechnological purposes. In this article, the second of these fundamental challenges will be addressed, and the notion of a "system design space" for relating the parameter space of components to the phenotype space of bioengineering systems will be focused upon. First, the concept of a system design space will be motivated by introducing one of its key components from an intuitive perspective. Second, a simple linear example will be used to illustrate a generic method for constructing the design space in which qualitatively distinct phenotypes can be identified and counted, their fitness analyzed and compared, and their tolerance to change measured. Third, two examples of nonlinear systems from different areas of biomedical engineering will be presented. Finally, after giving reference to a few other applications that have made use of the system design space approach to reveal important design principles, some concluding remarks concerning challenges and opportunities for further development

Quantum space and quantum completeness

Science.gov (United States)

Jurić, Tajron

2018-05-01

Motivated by the question whether quantum gravity can "smear out" the classical singularity we analyze a certain quantum space and its quantum-mechanical completeness. Classical singularity is understood as a geodesic incompleteness, while quantum completeness requires a unique unitary time evolution for test fields propagating on an underlying background. Here the crucial point is that quantum completeness renders the Hamiltonian (or spatial part of the wave operator) to be essentially self-adjoint in order to generate a unique time evolution. We examine a model of quantum space which consists of a noncommutative BTZ black hole probed by a test scalar field. We show that the quantum gravity (noncommutative) effect is to enlarge the domain of BTZ parameters for which the relevant wave operator is essentially self-adjoint. This means that the corresponding quantum space is quantum complete for a larger range of BTZ parameters rendering the conclusion that in the quantum space one observes the effect of "smearing out" the singularity.

Incorporating space charge in the transverse phase-space matching and tomography at PITZ

Energy Technology Data Exchange (ETDEWEB)

Kourkafas, Georgios

2015-11-15

The ever-expanding achievements in the field of particle accelerators push their specifications to very demanding levels. The performance of many modern applications depends on their ability to be operated with high bunch charges confined in small volumes. However, the consequence of increased intensity is strong space-charge forces, which perplex the beam manipulation and undermine the beam quality. As a result, reliable methods are needed to control and measure the accelerated particles under these extraordinary conditions. The phase space tomography is a diagnostic technique which can reveal details of the transverse beam parameters for a wide range of intensities and energies, with minimal influence from the machine instabilities, in a quasi non-destructive way. The accuracy of this method relies on the precise knowledge and control of the particle dynamics under the influence of space charge in different stages of the measurement. On the one hand, the matching of the beam to the measurement's design transverse parameters requires a procedure which efficiently compensates the effects of space charge. Depending on the structure of the magnetic lattice, different aspects of these effects prevail, therefore different strategies have to be developed. On the other hand, the impact of the space-charge forces on the phase-space transformations during the data acquisition has to be included in the model which is used for the tomographic reconstruction. The aim of this thesis is to provide and test time-efficient solutions for the incorporation of space charge in the transverse beam matching and phase space tomography.

Incorporating space charge in the transverse phase-space matching and tomography at PITZ

International Nuclear Information System (INIS)

Kourkafas, Georgios

2015-11-01

The ever-expanding achievements in the field of particle accelerators push their specifications to very demanding levels. The performance of many modern applications depends on their ability to be operated with high bunch charges confined in small volumes. However, the consequence of increased intensity is strong space-charge forces, which perplex the beam manipulation and undermine the beam quality. As a result, reliable methods are needed to control and measure the accelerated particles under these extraordinary conditions. The phase space tomography is a diagnostic technique which can reveal details of the transverse beam parameters for a wide range of intensities and energies, with minimal influence from the machine instabilities, in a quasi non-destructive way. The accuracy of this method relies on the precise knowledge and control of the particle dynamics under the influence of space charge in different stages of the measurement. On the one hand, the matching of the beam to the measurement's design transverse parameters requires a procedure which efficiently compensates the effects of space charge. Depending on the structure of the magnetic lattice, different aspects of these effects prevail, therefore different strategies have to be developed. On the other hand, the impact of the space-charge forces on the phase-space transformations during the data acquisition has to be included in the model which is used for the tomographic reconstruction. The aim of this thesis is to provide and test time-efficient solutions for the incorporation of space charge in the transverse beam matching and phase space tomography.

On the breakdown modes and parameter space of Ohmic Tokamak startup

Science.gov (United States)

Peng, Yanli; Jiang, Wei; Zhang, Ya; Hu, Xiwei; Zhuang, Ge; Innocenti, Maria; Lapenta, Giovanni

2017-10-01

Tokamak plasma has to be hot. The process of turning the initial dilute neutral hydrogen gas at room temperature into fully ionized plasma is called tokamak startup. Even with over 40 years of research, the parameter ranges for the successful startup still aren't determined by numerical simulations but by trial and errors. However, in recent years it has drawn much attention due to one of the challenges faced by ITER: the maximum electric field for startup can't exceed 0.3 V/m, which makes the parameter range for successful startup narrower. Besides, this physical mechanism is far from being understood either theoretically or numerically. In this work, we have simulated the plasma breakdown phase driven by pure Ohmic heating using a particle-in-cell/Monte Carlo code, with the aim of giving a predictive parameter range for most tokamaks, even for ITER. We have found three situations during the discharge, as a function of the initial parameters: no breakdown, breakdown and runaway. Moreover, breakdown delay and volt-second consumption under different initial conditions are evaluated. In addition, we have simulated breakdown on ITER and confirmed that when the electric field is 0.3 V/m, the optimal pre-filling pressure is 0.001 Pa, which is in good agreement with ITER's design.

Pinching parameters for open (super) strings

Science.gov (United States)

Playle, Sam; Sciuto, Stefano

2018-02-01

We present an approach to the parametrization of (super) Schottky space obtained by sewing together three-punctured discs with strips. Different cubic ribbon graphs classify distinct sets of pinching parameters; we show how they are mapped onto each other. The parametrization is particularly well-suited to describing the region within (super) moduli space where open bosonic or Neveu-Schwarz string propagators become very long and thin, which dominates the IR behaviour of string theories. We show how worldsheet objects such as the Green's function converge to graph theoretic objects such as the Symanzik polynomials in the α ' → 0 limit, allowing us to see how string theory reproduces the sum over Feynman graphs. The (super) string measure takes on a simple and elegant form when expressed in terms of these parameters.

Generalized Lions-Peetre interpolation construction and optimal embedding theorems for Sobolev spaces

International Nuclear Information System (INIS)

Ovchinnikov, V I

2014-01-01

In the paper, a new description of the generalized Lions-Peetre method of means is found, which enables one to evaluate the interpolation orbits of spaces constructed by this method. The list of these spaces includes all Lorentz spaces with functional parameters, Orlicz spaces, and spaces close to them. This leads in turn to new optimal embedding theorems for Sobolev spaces produced using the Lions-Peetre construction in rearrangement invariant spaces. It turns out that the optimal space of the embedding is also a generalized Lions-Peetre space whose parameters are explicitly evaluated. Bibliography: 18 titles

The parameter spreadsheets and their applications

International Nuclear Information System (INIS)

Schwitters, R.; Chao, A.; Chou, W.; Peterson, J.

1993-01-01

This paper is to announce that a set of parameter spreadsheets, using the Microsoft EXCEL software, has been developed for the SSC (and also for the LHC). In this program, the input (or control) parameters and the derived parameters are linked by equations that express the accelerator physics involved. A subgroup of parameters that are considered critical, or possible bottlenecks, has been highlighted under the category of open-quotes Flagsclose quotes. Given certain performance goals, one can use this program to open-quotes tuneclose quotes the input parameters in such a way that the flagged parameters do not exceed their acceptable range. During the past years, this program has been employed for the following purposes: (a) To guide the machine designs for various operation scenarios, (b) To generate a parameter list that is self-consistent and, (c) To study the impact of some proposed parameter changes (e.g., different choices of the rf frequency and bunch spacing)

Spaces of positive and negative frequency solutions of field equations in curved space--times. I. The Klein--Gordon equation in stationary space--times

International Nuclear Information System (INIS)

Moreno, C.

1977-01-01

In stationary space--times V/sub n/ x R with compact space-section manifold without boundary V/sub n/, the Klein--Gordon equation is solved by the one-parameter group of unitary operators generated by the energy operator i -1 T -1 in the Sobolev spaces H/sup l/(V/sub n/) x H/sup l/(V/sub n/). The canonical symplectic and complex structures of the associated dynamical system are calculated. The existence and the uniqueness of the Lichnerowicz kernel are established. The Hilbert spaces of positive and negative frequency-part solutions defined by means of this kernel are constructed

Influence of simulation assumptions and input parameters on energy balance calculations of residential buildings

International Nuclear Information System (INIS)

Dodoo, Ambrose; Tettey, Uniben Yao Ayikoe; Gustavsson, Leif

2017-01-01

In this study, we modelled the influence of different simulation assumptions on energy balances of two variants of a residential building, comprising the building in its existing state and with energy-efficient improvements. We explored how selected parameter combinations and variations affect the energy balances of the building configurations. The selected parameters encompass outdoor microclimate, building thermal envelope and household electrical equipment including technical installations. Our modelling takes into account hourly as well as seasonal profiles of different internal heat gains. The results suggest that the impact of parameter interactions on calculated space heating of buildings is somewhat small and relatively more noticeable for an energy-efficient building in contrast to a conventional building. We find that the influence of parameters combinations is more apparent as more individual parameters are varied. The simulations show that a building's calculated space heating demand is significantly influenced by how heat gains from electrical equipment are modelled. For the analyzed building versions, calculated final energy for space heating differs by 9–14 kWh/m"2 depending on the assumed energy efficiency level for electrical equipment. The influence of electrical equipment on calculated final space heating is proportionally more significant for an energy-efficient building compared to a conventional building. This study shows the influence of different simulation assumptions and parameter combinations when varied simultaneously. - Highlights: • Energy balances are modelled for conventional and efficient variants of a building. • Influence of assumptions and parameter combinations and variations are explored. • Parameter interactions influence is apparent as more single parameters are varied. • Calculated space heating demand is notably affected by how heat gains are modelled.

A probabilistic approach for the estimation of earthquake source parameters from spectral inversion

Science.gov (United States)

Supino, M.; Festa, G.; Zollo, A.

2017-12-01

The amplitude spectrum of a seismic signal related to an earthquake source carries information about the size of the rupture, moment, stress and energy release. Furthermore, it can be used to characterize the Green's function of the medium crossed by the seismic waves. We describe the earthquake amplitude spectrum assuming a generalized Brune's (1970) source model, and direct P- and S-waves propagating in a layered velocity model, characterized by a frequency-independent Q attenuation factor. The observed displacement spectrum depends indeed on three source parameters, the seismic moment (through the low-frequency spectral level), the corner frequency (that is a proxy of the fault length) and the high-frequency decay parameter. These parameters are strongly correlated each other and with the quality factor Q; a rigorous estimation of the associated uncertainties and parameter resolution is thus needed to obtain reliable estimations.In this work, the uncertainties are characterized adopting a probabilistic approach for the parameter estimation. Assuming an L2-norm based misfit function, we perform a global exploration of the parameter space to find the absolute minimum of the cost function and then we explore the cost-function associated joint a-posteriori probability density function around such a minimum, to extract the correlation matrix of the parameters. The global exploration relies on building a Markov chain in the parameter space and on combining a deterministic minimization with a random exploration of the space (basin-hopping technique). The joint pdf is built from the misfit function using the maximum likelihood principle and assuming a Gaussian-like distribution of the parameters. It is then computed on a grid centered at the global minimum of the cost-function. The numerical integration of the pdf finally provides mean, variance and correlation matrix associated with the set of best-fit parameters describing the model. Synthetic tests are performed to

Space-based infrared sensors of space target imaging effect analysis

Science.gov (United States)

Dai, Huayu; Zhang, Yasheng; Zhou, Haijun; Zhao, Shuang

2018-02-01

Target identification problem is one of the core problem of ballistic missile defense system, infrared imaging simulation is an important means of target detection and recognition. This paper first established the space-based infrared sensors ballistic target imaging model of point source on the planet's atmosphere; then from two aspects of space-based sensors camera parameters and target characteristics simulated atmosphere ballistic target of infrared imaging effect, analyzed the camera line of sight jitter, camera system noise and different imaging effects of wave on the target.

Remapping simulated halo catalogues in redshift space

OpenAIRE

Mead, Alexander; Peacock, John

2014-01-01

We discuss the extension to redshift space of a rescaling algorithm, designed to alter the effective cosmology of a pre-existing simulated particle distribution or catalogue of dark matter haloes. The rescaling approach was initially developed by Angulo & White and was adapted and applied to halo catalogues in real space in our previous work. This algorithm requires no information other than the initial and target cosmological parameters, and it contains no tuned parameters. It is shown here ...

Genetic Algorithm Optimizes Q-LAW Control Parameters

Science.gov (United States)

Lee, Seungwon; von Allmen, Paul; Petropoulos, Anastassios; Terrile, Richard

2008-01-01

A document discusses a multi-objective, genetic algorithm designed to optimize Lyapunov feedback control law (Q-law) parameters in order to efficiently find Pareto-optimal solutions for low-thrust trajectories for electronic propulsion systems. These would be propellant-optimal solutions for a given flight time, or flight time optimal solutions for a given propellant requirement. The approximate solutions are used as good initial solutions for high-fidelity optimization tools. When the good initial solutions are used, the high-fidelity optimization tools quickly converge to a locally optimal solution near the initial solution. Q-law control parameters are represented as real-valued genes in the genetic algorithm. The performances of the Q-law control parameters are evaluated in the multi-objective space (flight time vs. propellant mass) and sorted by the non-dominated sorting method that assigns a better fitness value to the solutions that are dominated by a fewer number of other solutions. With the ranking result, the genetic algorithm encourages the solutions with higher fitness values to participate in the reproduction process, improving the solutions in the evolution process. The population of solutions converges to the Pareto front that is permitted within the Q-law control parameter space.

Space debris mitigation - engineering strategies

Science.gov (United States)

Taylor, E.; Hammond, M.

The problem of space debris pollution is acknowledged to be of growing concern by space agencies, leading to recent activities in the field of space debris mitigation. A review of the current (and near-future) mitigation guidelines, handbooks, standards and licensing procedures has identified a number of areas where further work is required. In order for space debris mitigation to be implemented in spacecraft manufacture and operation, the authors suggest that debris-related criteria need to become design parameters (following the same process as applied to reliability and radiation). To meet these parameters, spacecraft manufacturers and operators will need processes (supported by design tools and databases and implementation standards). A particular aspect of debris mitigation, as compared with conventional requirements (e.g. radiation and reliability) is the current and near-future national and international regulatory framework and associated liability aspects. A framework for these implementation standards is presented, in addition to results of in-house research and development on design tools and databases (including collision avoidance in GTO and SSTO and evaluation of failure criteria on composite and aluminium structures).

Constraining neutron guide optimizations with phase-space considerations

Energy Technology Data Exchange (ETDEWEB)

Bertelsen, Mads, E-mail: mads.bertelsen@gmail.com; Lefmann, Kim

2016-09-11

We introduce a method named the Minimalist Principle that serves to reduce the parameter space for neutron guide optimization when the required beam divergence is limited. The reduced parameter space will restrict the optimization to guides with a minimal neutron intake that are still theoretically able to deliver the maximal possible performance. The geometrical constraints are derived using phase-space propagation from moderator to guide and from guide to sample, while assuming that the optimized guides will achieve perfect transport of the limited neutron intake. Guide systems optimized using these constraints are shown to provide performance close to guides optimized without any constraints, however the divergence received at the sample is limited to the desired interval, even when the neutron transport is not limited by the supermirrors used in the guide. As the constraints strongly limit the parameter space for the optimizer, two control parameters are introduced that can be used to adjust the selected subspace, effectively balancing between maximizing neutron transport and avoiding background from unnecessary neutrons. One parameter is needed to describe the expected focusing abilities of the guide to be optimized, going from perfectly focusing to no correlation between position and velocity. The second parameter controls neutron intake into the guide, so that one can select exactly how aggressively the background should be limited. We show examples of guides optimized using these constraints which demonstrates the higher signal to noise than conventional optimizations. Furthermore the parameter controlling neutron intake is explored which shows that the simulated optimal neutron intake is close to the analytically predicted, when assuming that the guide is dominated by multiple scattering events.

Pramana – Journal of Physics | Indian Academy of Sciences

Indian Academy of Sciences (India)

By employing a variational method of the Pekar-type, which has different variational parameters in the – plane and the z -direction, we study the ground and the first excited state energies and transition frequency between the ground and the first excited states of a strong-coupling polaron in an anisotropic quantum dot ...

Systematic parameter inference in stochastic mesoscopic modeling

Energy Technology Data Exchange (ETDEWEB)

Lei, Huan; Yang, Xiu [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Li, Zhen [Division of Applied Mathematics, Brown University, Providence, RI 02912 (United States); Karniadakis, George Em, E-mail: george_karniadakis@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI 02912 (United States)

2017-02-01

We propose a method to efficiently determine the optimal coarse-grained force field in mesoscopic stochastic simulations of Newtonian fluid and polymer melt systems modeled by dissipative particle dynamics (DPD) and energy conserving dissipative particle dynamics (eDPD). The response surfaces of various target properties (viscosity, diffusivity, pressure, etc.) with respect to model parameters are constructed based on the generalized polynomial chaos (gPC) expansion using simulation results on sampling points (e.g., individual parameter sets). To alleviate the computational cost to evaluate the target properties, we employ the compressive sensing method to compute the coefficients of the dominant gPC terms given the prior knowledge that the coefficients are “sparse”. The proposed method shows comparable accuracy with the standard probabilistic collocation method (PCM) while it imposes a much weaker restriction on the number of the simulation samples especially for systems with high dimensional parametric space. Fully access to the response surfaces within the confidence range enables us to infer the optimal force parameters given the desirable values of target properties at the macroscopic scale. Moreover, it enables us to investigate the intrinsic relationship between the model parameters, identify possible degeneracies in the parameter space, and optimize the model by eliminating model redundancies. The proposed method provides an efficient alternative approach for constructing mesoscopic models by inferring model parameters to recover target properties of the physics systems (e.g., from experimental measurements), where those force field parameters and formulation cannot be derived from the microscopic level in a straight forward way.

Longitudinal Phase Space Tomography with Space Charge

CERN Document Server

Hancock, S; Lindroos, M

2000-01-01

Tomography is now a very broad topic with a wealth of algorithms for the reconstruction of both qualitative and quantitative images. In an extension in the domain of particle accelerators, one of the simplest algorithms has been modified to take into account the non-linearity of large-amplitude synchrotron motion. This permits the accurate reconstruction of longitudinal phase space density from one-dimensional bunch profile data. The method is a hybrid one which incorporates particle tracking. Hitherto, a very simple tracking algorithm has been employed because only a brief span of measured profile data is required to build a snapshot of phase space. This is one of the strengths of the method, as tracking for relatively few turns relaxes the precision to which input machine parameters need to be known. The recent addition of longitudinal space charge considerations as an optional refinement of the code is described. Simplicity suggested an approach based on the derivative of bunch shape with the properties of...

SpaceTech—Postgraduate space education

Science.gov (United States)

de Bruijn, Ferdi J.; Ashford, Edward W.; Larson, Wiley J.

2008-07-01

, Interpersonal Skills, Telecommunications, Earth Observation and Navigation. A group CCP, a major asset of this unique program, is a focused project, aimed at the formation of a credible virtual commercial space-related business. Participants exercise space systems engineering fundamentals as well as marketing and business engineering tools, with the goal of creating a financially viable business opportunity. They then present the result, in the form of an unsolicited proposal to potential investors, as well as a varied group of engineers, managers and executives from the space community. During the CCP, participants learn the ties between mission and system design and the potential return to investors. They develop an instinct for the technical concepts and which of the parameters to adjust to make their newly conceived business more effective and profitable.

Interface phonon effect on optical spectra of quantum nanostructures

International Nuclear Information System (INIS)

Maslov, Alexander Yu.; Proshina, Olga V.; Rusina, Anastasia N.

2009-01-01

This paper deals with theory of large radius polaron effect in quantum wells, wires and dots. The interaction of charge particles and excitons with both bulk and interface optical phonons is taken into consideration. The analytical expression for polaron binding energy is obtained for different types of nanostructures. It is shown that the contribution of interface phonons to the polaron binding energy may exceed the bulk phonon part. The manifestation of polaron effects in optical spectra of quantum nanostructures is discussed.

Impact parameter analysis and soft QCD dynamics

International Nuclear Information System (INIS)

Carvalho, P.A.S.; Martini, A.F.; Menon, M.J.

2002-01-01

In a recent paper, based on the hypothesis of light-cone dipole representation for gluon Bremsstrahlung, Kopeliovich et al. developed a dynamical model for the elastic hadronic amplitude. The model has been applied to pp and p (bar) p scattering and the effects of unitarity and peripheral interactions have been investigated in the impact parameter representation. In this communication, making use of a model independent extraction of the scattering amplitude in the impact parameter space (early developed), we represent a comparative study between the predictions from the dynamical model and the impact parameter analysis. (author)

Space-Time Fractional Diffusion-Advection Equation with Caputo Derivative

Directory of Open Access Journals (Sweden)

José Francisco Gómez Aguilar

2014-01-01

Full Text Available An alternative construction for the space-time fractional diffusion-advection equation for the sedimentation phenomena is presented. The order of the derivative is considered as 0<β, γ≤1 for the space and time domain, respectively. The fractional derivative of Caputo type is considered. In the spatial case we obtain the fractional solution for the underdamped, undamped, and overdamped case. In the temporal case we show that the concentration has amplitude which exhibits an algebraic decay at asymptotically large times and also shows numerical simulations where both derivatives are taken in simultaneous form. In order that the equation preserves the physical units of the system two auxiliary parameters σx and σt are introduced characterizing the existence of fractional space and time components, respectively. A physical relation between these parameters is reported and the solutions in space-time are given in terms of the Mittag-Leffler function depending on the parameters β and γ. The generalization of the fractional diffusion-advection equation in space-time exhibits anomalous behavior.

Integrated Logistics Support Analysis of the International Space Station Alpha, Background and Summary of Mathematical Modeling and Failure Density Distributions Pertaining to Maintenance Time Dependent Parameters

Science.gov (United States)

Sepehry-Fard, F.; Coulthard, Maurice H.

1995-01-01

The process of predicting the values of maintenance time dependent variable parameters such as mean time between failures (MTBF) over time must be one that will not in turn introduce uncontrolled deviation in the results of the ILS analysis such as life cycle costs, spares calculation, etc. A minor deviation in the values of the maintenance time dependent variable parameters such as MTBF over time will have a significant impact on the logistics resources demands, International Space Station availability and maintenance support costs. There are two types of parameters in the logistics and maintenance world: a. Fixed; b. Variable Fixed parameters, such as cost per man hour, are relatively easy to predict and forecast. These parameters normally follow a linear path and they do not change randomly. However, the variable parameters subject to the study in this report such as MTBF do not follow a linear path and they normally fall within the distribution curves which are discussed in this publication. The very challenging task then becomes the utilization of statistical techniques to accurately forecast the future non-linear time dependent variable arisings and events with a high confidence level. This, in turn, shall translate in tremendous cost savings and improved availability all around.

Systematics of nuclear level density parameters

International Nuclear Information System (INIS)

Bucurescu, Dorel; Egidy, Till von

2005-01-01

The level density parameters for the back-shifted Fermi gas (both without and with energy-dependent level density parameter) and the constant temperature models have been determined for 310 nuclei between 18 F and 251 Cf by fitting the complete level schemes at low excitation energies and the s-wave neutron resonance spacings at the neutron binding energies. Simple formulae are proposed for the description of the two parameters of each of these models, which involve only quantities available from the mass tables. These formulae may constitute a reliable tool for extrapolating to nuclei far from stability, where nuclear level densities cannot be measured

Ω-deformed SYM on a Gibbons-Hawking space

International Nuclear Information System (INIS)

Dey, Anindya

2015-01-01

We study an N=2, pure U(1) SYM theory on a Gibbons-Hawking space Ω-deformed using the U(1) isometry. The resultant 3D theory, after an appropriate “Nekrasov-Witten" change of variables, is asymptotically equivalent to the undeformed theory at spatial infinity but differs from it as one approaches the NUT centers which are fixed points under the U(1) action. The 3D theory may be recast in the form of a generalized hyperkähler sigma model introduced in http://dx.doi.org/10.1007/JHEP04(2014)158 where the target space is a one-parameter family of hyperkähler spaces. The hyperkähler fibers have a preferred complex structure which for the deformed theory depends on the parameter of Ω-deformation. The metric on the hyperkähler fiber can be reduced to a standard metric on ℂ×T 2 with the modular parameter of the torus depending explicitly on the Ω-deformation parameter. The contribution of the NUT center to the sigma model path integral, expected to be a holomorphic section of a holomorphic line bundle over the target space on grounds of supersymmetry, turns out to be a Jacobi theta function in terms of certain “deformed" variables.

A Real-Time Apple Grading System Using Multicolor Space

Directory of Open Access Journals (Sweden)

Hayrettin Toylan

2014-01-01

Full Text Available This study was focused on the multicolor space which provides a better specification of the color and size of the apple in an image. In the study, a real-time machine vision system classifying apples into four categories with respect to color and size was designed. In the analysis, different color spaces were used. As a result, 97% identification success for the red fields of the apple was obtained depending on the values of the parameter “a” of CIE L*a*b*color space. Similarly, 94% identification success for the yellow fields was obtained depending on the values of the parameter y of CIE XYZ color space. With the designed system, three kinds of apples (Golden, Starking, and Jonagold were investigated by classifying them into four groups with respect to two parameters, color and size. Finally, 99% success rate was achieved in the analyses conducted for 595 apples.

Quantum mechanics in an evolving Hilbert space

Science.gov (United States)

Artacho, Emilio; O'Regan, David D.

2017-03-01

Many basis sets for electronic structure calculations evolve with varying external parameters, such as moving atoms in dynamic simulations, giving rise to extra derivative terms in the dynamical equations. Here we revisit these derivatives in the context of differential geometry, thereby obtaining a more transparent formalization, and a geometrical perspective for better understanding the resulting equations. The effect of the evolution of the basis set within the spanned Hilbert space separates explicitly from the effect of the turning of the space itself when moving in parameter space, as the tangent space turns when moving in a curved space. New insights are obtained using familiar concepts in that context such as the Riemann curvature. The differential geometry is not strictly that for curved spaces as in general relativity, a more adequate mathematical framework being provided by fiber bundles. The language used here, however, will be restricted to tensors and basic quantum mechanics. The local gauge implied by a smoothly varying basis set readily connects with Berry's formalism for geometric phases. Generalized expressions for the Berry connection and curvature are obtained for a parameter-dependent occupied Hilbert space spanned by nonorthogonal Wannier functions. The formalism is applicable to basis sets made of atomic-like orbitals and also more adaptative moving basis functions (such as in methods using Wannier functions as intermediate or support bases), but should also apply to other situations in which nonorthogonal functions or related projectors should arise. The formalism is applied to the time-dependent quantum evolution of electrons for moving atoms. The geometric insights provided here allow us to propose new finite-difference time integrators, and also better understand those already proposed.

Robust Parameter Coordination for Multidisciplinary Design

Institute of Scientific and Technical Information of China (English)

无

2006-01-01

This paper introduced a robust parameter coordination method to analyze parameter uncertainties so as to predict conflicts and coordinate parameters in multidisciplinary design. The proposed method is based on constraints network, which gives a formulated model to analyze the coupling effects between design variables and product specifications. In this model, interval boxes are adopted to describe the uncertainty of design parameters quantitatively to enhance the design robustness. To solve this constraint network model, a general consistent algorithm framework is designed and implemented with interval arithmetic and the genetic algorithm, which can deal with both algebraic and ordinary differential equations. With the help of this method, designers could infer the consistent solution space from the given specifications. A case study involving the design of a bogie dumping system demonstrates the usefulness of this approach.

Identification of a Discontinuous Parameter in Stochastic Parabolic Systems

International Nuclear Information System (INIS)

Aihara, S. I.

1998-01-01

The purpose of this paper is to study the identification problem for a spatially varying discontinuous parameter in stochastic diffusion equations. The consistency property of the maximum likelihood estimate (M.L.E.) and a generating algorithm for M.L.E. have been explored under the condition that the unknown parameter is in a sufficiently regular space with respect to spatial variables. In order to prove the consistency property of the M.L.E. for a discontinuous diffusion coefficient, we use the method of sieves, i.e., first the admissible class of unknown parameters is projected into a finite-dimensional space and next the convergence of the derived finite-dimensional M.L.E. to the infinite-dimensional M.L.E. is justified under some conditions. An iterative algorithm for generating the M.L.E. is also proposed with two numerical examples

Key parameters analysis of hybrid HEMP simulator

International Nuclear Information System (INIS)

Mao Congguang; Zhou Hui

2009-01-01

According to the new standards on the high-altitude electromagnetic pulse (HEMP) developed by International Electrotechnical Commission (IEC), the target parameter requirements of the key structure of the hybrid HEMP simulator are decomposed. Firstly, the influences of the different excitation sources and biconical structures to the key parameters of the radiated electric field wave shape are investigated and analyzed. Then based on the influence curves the target parameter requirements of the pulse generator are proposed. Finally the appropriate parameters of the biconical structure and the excitation sources are chosen, and the computational result of the electric field in free space is presented. The results are of great value for the design of the hybrid HEMP simulator. (authors)

Operational definition of (brane-induced) space-time and constraints on the fundamental parameters

International Nuclear Information System (INIS)

Maziashvili, Michael

2008-01-01

First we contemplate the operational definition of space-time in four dimensions in light of basic principles of quantum mechanics and general relativity and consider some of its phenomenological consequences. The quantum gravitational fluctuations of the background metric that comes through the operational definition of space-time are controlled by the Planck scale and are therefore strongly suppressed. Then we extend our analysis to the braneworld setup with low fundamental scale of gravity. It is observed that in this case the quantum gravitational fluctuations on the brane may become unacceptably large. The magnification of fluctuations is not linked directly to the low quantum gravity scale but rather to the higher-dimensional modification of Newton's inverse square law at relatively large distances. For models with compact extra dimensions the shape modulus of extra space can be used as a most natural and safe stabilization mechanism against these fluctuations

Inflation and cosmological parameter estimation

Energy Technology Data Exchange (ETDEWEB)

Hamann, J.

2007-05-15

In this work, we focus on two aspects of cosmological data analysis: inference of parameter values and the search for new effects in the inflationary sector. Constraints on cosmological parameters are commonly derived under the assumption of a minimal model. We point out that this procedure systematically underestimates errors and possibly biases estimates, due to overly restrictive assumptions. In a more conservative approach, we analyse cosmological data using a more general eleven-parameter model. We find that regions of the parameter space that were previously thought ruled out are still compatible with the data; the bounds on individual parameters are relaxed by up to a factor of two, compared to the results for the minimal six-parameter model. Moreover, we analyse a class of inflation models, in which the slow roll conditions are briefly violated, due to a step in the potential. We show that the presence of a step generically leads to an oscillating spectrum and perform a fit to CMB and galaxy clustering data. We do not find conclusive evidence for a step in the potential and derive strong bounds on quantities that parameterise the step. (orig.)

Space-Charge Effect

International Nuclear Information System (INIS)

Chauvin, N

2013-01-01

First, this chapter introduces the expressions for the electric and magnetic space-charge internal fields and forces induced by high-intensity beams. Then, the root-mean-square equation with space charge is derived and discussed. In the third section, the one-dimensional Child-Langmuir law, which gives the maximum current density that can be extracted from an ion source, is exposed. Space-charge compensation can occur in the low-energy beam transport lines (located after the ion source). This phenomenon, which counteracts the spacecharge defocusing effect, is explained and its main parameters are presented. The fifth section presents an overview of the principal methods to perform beam dynamics numerical simulations. An example of a particles-in-cells code, SolMaxP, which takes into account space-charge compensation, is given. Finally, beam dynamics simulation results obtained with this code in the case of the IFMIF injector are presented. (author)

Space-Charge Effect

CERN Document Server

Chauvin, N.

2013-12-16

First, this chapter introduces the expressions for the electric and magnetic space-charge internal fields and forces induced by high-intensity beams. Then, the root-mean-square equation with space charge is derived and discussed. In the third section, the one-dimensional Child-Langmuir law, which gives the maximum current density that can be extracted from an ion source, is exposed. Space-charge compensation can occur in the low-energy beam transport lines (located after the ion source). This phenomenon, which counteracts the spacecharge defocusing effect, is explained and its main parameters are presented. The fifth section presents an overview of the principal methods to perform beam dynamics numerical simulations. An example of a particles-in-cells code, SolMaxP, which takes into account space-charge compensation, is given. Finally, beam dynamics simulation results obtained with this code in the case of the IFMIF injector are presented.

Visual exploration of parameter influence on phylogenetic trees.

Science.gov (United States)

Hess, Martin; Bremm, Sebastian; Weissgraeber, Stephanie; Hamacher, Kay; Goesele, Michael; Wiemeyer, Josef; von Landesberger, Tatiana

2014-01-01

Evolutionary relationships between organisms are frequently derived as phylogenetic trees inferred from multiple sequence alignments (MSAs). The MSA parameter space is exponentially large, so tens of thousands of potential trees can emerge for each dataset. A proposed visual-analytics approach can reveal the parameters' impact on the trees. Given input trees created with different parameter settings, it hierarchically clusters the trees according to their structural similarity. The most important clusters of similar trees are shown together with their parameters. This view offers interactive parameter exploration and automatic identification of relevant parameters. Biologists applied this approach to real data of 16S ribosomal RNA and protein sequences of ion channels. It revealed which parameters affected the tree structures. This led to a more reliable selection of the best trees.

Dimensional regularization in configuration space

International Nuclear Information System (INIS)

Bollini, C.G.; Giambiagi, J.J.

1995-09-01

Dimensional regularization is introduced in configuration space by Fourier transforming in D-dimensions the perturbative momentum space Green functions. For this transformation, Bochner theorem is used, no extra parameters, such as those of Feynman or Bogoliubov-Shirkov are needed for convolutions. The regularized causal functions in x-space have ν-dependent moderated singularities at the origin. They can be multiplied together and Fourier transformed (Bochner) without divergence problems. The usual ultraviolet divergences appear as poles of the resultant functions of ν. Several example are discussed. (author). 9 refs

Investigating the Influence of Light Shelf Geometry Parameters on Daylight Performance and Visual Comfort, a Case Study of Educational Space in Tehran, Iran

Directory of Open Access Journals (Sweden)

Mohammad Hossein Moazzeni

2016-07-01

Full Text Available Daylight can be considered as one of the most important principles of sustainable architecture. It is unfortunate that this is neglected by designers in Tehran, a city that benefits from a significant amount of daylight and many clear sunny days during the year. Using a daylight controller system increases space natural light quality and decreases building lighting consumption by 60%. It also affects building thermal behavior, because most of them operate as shading. The light shelf is one of the passive systems for controlling daylight, mostly used with shading and installed in the upper half of the windows above eye level. The influence of light shelf parameters, such as its dimensions, shelf rotation angle and orientation on daylight efficiency and visual comfort in educational spaces is investigated in this article. Daylight simulation software and annual analysis based on climate information during space occupation hours were used. The results show that light shelf dimensions, as well as different orientations, especially in southern part, are influential in the distribution of natural light and visual comfort. At the southern orientation, increased light shelf dimensions result in an increase of the area of the work plane with suitable daylight levels by 2%–40% and a significant decrease in disturbing and intolerable glare hours.

The method of moments and nested Hilbert spaces in quantum mechanics

International Nuclear Information System (INIS)

Adeniyi Bangudu, E.

1980-08-01

It is shown how the structures of a nested Hilbert space Hsub(I), associated with a given Hilbert space Hsub(O), may be used to simplify our understanding of the effects of parameters, whose values have to be chosen rather than determined variationally, in the method of moments. The result, as applied to non-relativistic quartic oscillator and helium atom, is to associate the parameters with sequences of Hilbert spaces, while the error of the method of moments relative to the variational method corresponds to a nesting operator of the nested Hilbert space. Difficulties hindering similar interpretations in terms of rigged Hilbert space structures are highlighted. (author)

Comparison of sampling techniques for Bayesian parameter estimation

Science.gov (United States)

Allison, Rupert; Dunkley, Joanna

2014-02-01

The posterior probability distribution for a set of model parameters encodes all that the data have to tell us in the context of a given model; it is the fundamental quantity for Bayesian parameter estimation. In order to infer the posterior probability distribution we have to decide how to explore parameter space. Here we compare three prescriptions for how parameter space is navigated, discussing their relative merits. We consider Metropolis-Hasting sampling, nested sampling and affine-invariant ensemble Markov chain Monte Carlo (MCMC) sampling. We focus on their performance on toy-model Gaussian likelihoods and on a real-world cosmological data set. We outline the sampling algorithms themselves and elaborate on performance diagnostics such as convergence time, scope for parallelization, dimensional scaling, requisite tunings and suitability for non-Gaussian distributions. We find that nested sampling delivers high-fidelity estimates for posterior statistics at low computational cost, and should be adopted in favour of Metropolis-Hastings in many cases. Affine-invariant MCMC is competitive when computing clusters can be utilized for massive parallelization. Affine-invariant MCMC and existing extensions to nested sampling naturally probe multimodal and curving distributions.

Photosynthesis–irradiance parameters of marine phytoplankton: synthesis of a global data set

OpenAIRE

Bouman, HA; Platt, T; Doblin, M; Figueiras, FG; Gudmundsson, K; Gudfinnsson, HG; Huang, B; Hickman, A; Hiscock, M; Jackson, T; Lutz, VA; Melin, F; Rey, F; Pepin, P; Segura, V

2018-01-01

The photosynthetic performance of marine phytoplankton varies in response to a variety of factors, environmental and taxonomic. One of the aims of the MArine primary Production: model Parameters from Space (MAPPS) project of the European Space Agency is to assemble a global database of photosynthesis–irradiance (P-E) parameters from a range of oceanographic regimes as an aid to examining the basin-scale variability in the photophysiological response of marine phytoplankto...

PARAMETER COORDINATION AND ROBUST OPTIMIZATION FOR MULTIDISCIPLINARY DESIGN

Institute of Scientific and Technical Information of China (English)

HU Jie; PENG Yinghong; XIONG Guangleng

2006-01-01

A new parameter coordination and robust optimization approach for multidisciplinary design is presented. Firstly, the constraints network model is established to support engineering change, coordination and optimization. In this model, interval boxes are adopted to describe the uncertainty of design parameters quantitatively to enhance the design robustness. Secondly, the parameter coordination method is presented to solve the constraints network model, monitor the potential conflicts due to engineering changes, and obtain the consistency solution space corresponding to the given product specifications. Finally, the robust parameter optimization model is established, and genetic arithmetic is used to obtain the robust optimization parameter. An example of bogie design is analyzed to show the scheme to be effective.

pypet: A Python Toolkit for Data Management of Parameter Explorations.

Science.gov (United States)

Meyer, Robert; Obermayer, Klaus

2016-01-01

pypet (Python parameter exploration toolkit) is a new multi-platform Python toolkit for managing numerical simulations. Sampling the space of model parameters is a key aspect of simulations and numerical experiments. pypet is designed to allow easy and arbitrary sampling of trajectories through a parameter space beyond simple grid searches. pypet collects and stores both simulation parameters and results in a single HDF5 file. This collective storage allows fast and convenient loading of data for further analyses. pypet provides various additional features such as multiprocessing and parallelization of simulations, dynamic loading of data, integration of git version control, and supervision of experiments via the electronic lab notebook Sumatra. pypet supports a rich set of data formats, including native Python types, Numpy and Scipy data, Pandas DataFrames, and BRIAN(2) quantities. Besides these formats, users can easily extend the toolkit to allow customized data types. pypet is a flexible tool suited for both short Python scripts and large scale projects. pypet's various features, especially the tight link between parameters and results, promote reproducible research in computational neuroscience and simulation-based disciplines.

MX chains: 1-D analog of CuO planes?

International Nuclear Information System (INIS)

Gammel, J.T.; Batistic, I.; Bishop, A.R.; Loh, E.Y. Jr.; Marianer, S.

1989-01-01

We study a two-band Peierls-Hubbard model for halogen-bridged mixed-valence transition metal linear chain complexes (MX chains). We include electron-electron correlations (both Hubbard and PPP-like expressions) using several techniques including calculations in the zero-hopping limit, exact diagonalization of small systems, mean field approximation, and a Gutzwiller-like Ansatz for quantum phonons. The adiabatic optical absorption and phonon spectra for both photo-excited and doping induced defects (kinks, polarons, bipolarons, and excitons) are discussed. A long period phase which occurs even at commensurate filling for certain parameter values may be related to twinning. The effect of including the electron-phonon in addition to the electron-electron interaction on the polaron/bipolaron (pairing) competition is especially interesting when this class of compounds is viewed as a 1-D analog of high-temperature superconductors. 6 refs., 4 figs

Efficient classification of complete parameter regions based on semidefinite programming

Directory of Open Access Journals (Sweden)

Parrilo Pablo A

2007-01-01

Full Text Available Abstract Background Current approaches to parameter estimation are often inappropriate or inconvenient for the modelling of complex biological systems. For systems described by nonlinear equations, the conventional approach is to first numerically integrate the model, and then, in a second a posteriori step, check for consistency with experimental constraints. Hence, only single parameter sets can be considered at a time. Consequently, it is impossible to conclude that the "best" solution was identified or that no good solution exists, because parameter spaces typically cannot be explored in a reasonable amount of time. Results We introduce a novel approach based on semidefinite programming to directly identify consistent steady state concentrations for systems consisting of mass action kinetics, i.e., polynomial equations and inequality constraints. The duality properties of semidefinite programming allow to rigorously certify infeasibility for whole regions of parameter space, thus enabling the simultaneous multi-dimensional analysis of entire parameter sets. Conclusion Our algorithm reduces the computational effort of parameter estimation by several orders of magnitude, as illustrated through conceptual sample problems. Of particular relevance for systems biology, the approach can discriminate between structurally different candidate models by proving inconsistency with the available data.

Long-term integrated radiophysical studies of the ionosphere, near space, and the propagation of radio waves from space objects

Science.gov (United States)

Misyura, V. A.

1974-01-01

The radiophysical studies reported consist of direct measurements of certain effects induced in the propagation of radio waves from space objects. From measured effects and from data on the motion and position of space objects, physical parameters of the medium and bodies are determined.

Space Microbiology

Science.gov (United States)

Horneck, Gerda; Klaus, David M.; Mancinelli, Rocco L.

2010-01-01

Summary: The responses of microorganisms (viruses, bacterial cells, bacterial and fungal spores, and lichens) to selected factors of space (microgravity, galactic cosmic radiation, solar UV radiation, and space vacuum) were determined in space and laboratory simulation experiments. In general, microorganisms tend to thrive in the space flight environment in terms of enhanced growth parameters and a demonstrated ability to proliferate in the presence of normally inhibitory levels of antibiotics. The mechanisms responsible for the observed biological responses, however, are not yet fully understood. A hypothesized interaction of microgravity with radiation-induced DNA repair processes was experimentally refuted. The survival of microorganisms in outer space was investigated to tackle questions on the upper boundary of the biosphere and on the likelihood of interplanetary transport of microorganisms. It was found that extraterrestrial solar UV radiation was the most deleterious factor of space. Among all organisms tested, only lichens (Rhizocarpon geographicum and Xanthoria elegans) maintained full viability after 2 weeks in outer space, whereas all other test systems were inactivated by orders of magnitude. Using optical filters and spores of Bacillus subtilis as a biological UV dosimeter, it was found that the current ozone layer reduces the biological effectiveness of solar UV by 3 orders of magnitude. If shielded against solar UV, spores of B. subtilis were capable of surviving in space for up to 6 years, especially if embedded in clay or meteorite powder (artificial meteorites). The data support the likelihood of interplanetary transfer of microorganisms within meteorites, the so-called lithopanspermia hypothesis. PMID:20197502

Space weather and space anomalies

Directory of Open Access Journals (Sweden)

L. I. Dorman

2005-11-01

Full Text Available A large database of anomalies, registered by 220 satellites in different orbits over the period 1971-1994 has been compiled. For the first time, data from 49 Russian Kosmos satellites have been included in a statistical analysis. The database also contains a large set of daily and hourly space weather parameters. A series of statistical analyses made it possible to quantify, for different satellite orbits, space weather conditions on the days characterized by anomaly occurrences. In particular, very intense fluxes (>1000 pfu at energy >10 MeV of solar protons are linked to anomalies registered by satellites in high-altitude (>15000 km, near-polar (inclination >55° orbits typical for navigation satellites, such as those used in the GPS network, NAVSTAR, etc. (the rate of anomalies increases by a factor ~20, and to a much smaller extent to anomalies in geostationary orbits, (they increase by a factor ~4. Direct and indirect connections between anomaly occurrence and geomagnetic perturbations are also discussed.

Constraining the loop quantum gravity parameter space from phenomenology

Science.gov (United States)

Brahma, Suddhasattwa; Ronco, Michele

2018-03-01

Development of quantum gravity theories rarely takes inputs from experimental physics. In this letter, we take a small step towards correcting this by establishing a paradigm for incorporating putative quantum corrections, arising from canonical quantum gravity (QG) theories, in deriving falsifiable modified dispersion relations (MDRs) for particles on a deformed Minkowski space-time. This allows us to differentiate and, hopefully, pick between several quantization choices via testable, state-of-the-art phenomenological predictions. Although a few explicit examples from loop quantum gravity (LQG) (such as the regularization scheme used or the representation of the gauge group) are shown here to establish the claim, our framework is more general and is capable of addressing other quantization ambiguities within LQG and also those arising from other similar QG approaches.

Solubility-Parameter-Guided Solvent Selection to Initiate Ostwald Ripening for Interior Space-Tunable Structures with Architecture-Dependent Electrochemical Performance.

Science.gov (United States)

Mao, Baoguang; Guo, Donglei; Qin, Jinwen; Meng, Tao; Wang, Xin; Cao, Minhua

2018-01-08

Despite significant advancement in preparing various hollow structures by Ostwald ripening, one common problem is the intractable uncontrollability of initiating Ostwald ripening due to the complexity of the reaction processes. Here, a new strategy on Hansen solubility parameter (HSP)-guided solvent selection to initiate Ostwald ripening is proposed. Based on this comprehensive principle for solvent optimization, N,N-dimethylformamide (DMF) was screened out, achieving accurate synthesis of interior space-tunable MoSe 2 spherical structures (solid, core-shell, yolk-shell and hollow spheres). The resultant MoSe 2 structures exhibit architecture-dependent electrochemical performances towards hydrogen evolution reaction and sodium-ion batteries. This pre-solvent selection strategy can effectively provide researchers great possibility in efficiently synthesizing various hollow structures. This work paves a new pathway for deeply understanding Ostwald ripening. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Moving mirrors and black hole evaporation in noncommutative space-times

International Nuclear Information System (INIS)

Casadio, R.; Cox, P.H.; Harms, B.; Micu, O.

2006-01-01

We study the evaporation of black holes in noncommutative space-times. We do this by calculating the correction to the detector's response function for a moving mirror in terms of the noncommutativity parameter Θ and then extracting the number density as modified by this parameter. We find that allowing space and time to be noncommutative increases the decay rate of a black hole

Judging Criterion of Controlled Structures with Closely Spaced Natural Frequencies

International Nuclear Information System (INIS)

Xie Faxiang; Sun Limin

2010-01-01

The structures with closely spaced natural frequencies widely exist in civil engineering; however, the judging criterion of the density of closely spaced frequencies is in dispute. This paper suggests a judging criterion for structures with closely spaced natural frequencies based on the analysis on a controlled 2-DOF structure. The analysis results indicate that the optimal control gain of the structure with velocity feedback is dependent on the frequency density parameter of structure and the maximum attainable additional modal damping ratio is 1.72 times of the frequency density parameter when state feedback is applied. Based on a brief review on the previous researches, a judging criterion related the minimum frequency density parameter and the required mode damping ratio was proposed.

Survival of Spores of Trichoderma longibrachiatum in Space: data from the Space Experiment SPORES on EXPOSE-R

Science.gov (United States)

Neuberger, Katja; Lux-Endrich, Astrid; Panitz, Corinna

2015-01-01

In the space experiment `Spores in artificial meteorites' (SPORES), spores of the fungus Trichoderma longibrachiatum were exposed to low-Earth orbit for nearly 2 years on board the EXPOSE-R facility outside of the International Space Station. The environmental conditions tested in space were: space vacuum at 10-7-10-4 Pa or argon atmosphere at 105 Pa as inert gas atmosphere, solar extraterrestrial ultraviolet (UV) radiation at λ > 110 nm or λ > 200 nm with fluences up to 5.8 × 108 J m-2, cosmic radiation of a total dose range from 225 to 320 mGy, and temperature fluctuations from -25 to +50°C, applied isolated or in combination. Comparable control experiments were performed on ground. After retrieval, viability of spores was analysed by two methods: (i) ethidium bromide staining and (ii) test of germination capability. About 30% of the spores in vacuum survived the space travel, if shielded against insolation. However, in most cases no significant decrease was observed for spores exposed in addition to the full spectrum of solar UV irradiation. As the spores were exposed in clusters, the outer layers of spores may have shielded the inner part. The results give some information about the likelihood of lithopanspermia, the natural transfer of micro-organisms between planets. In addition to the parameters of outer space, sojourn time in space seems to be one of the limiting parameters.

Charge transport in organic crystals

Energy Technology Data Exchange (ETDEWEB)

Ortmann, Frank

2009-07-01

The understanding of charge transport is one of the central goals in the research on semiconducting crystals. For organic crystals this is particularly complicated due to the strength of the electron-phonon interaction which requires the description of a seamless transition between the limiting cases of a coherent band-transport mechanism and incoherent hopping. In this thesis, charge transport phenomena in organic crystals are studied by theoretical means. A theory for charge transport in organic crystals is developed which covers the whole temperature range from low T, where it reproduces an expression from the Boltzmann equation for band transport, via elevated T, where it generalizes Holstein's small-polaron theory to finite bandwidths, up to high T, for which a temperature dependence equal to Marcus' electron-transfer theory is obtained. Thereby, coherent band transport and thermally induced hopping are treated on equal footing while simultaneously treating the electron-phonon interaction non-perturbatively. By avoiding the approximation of narrow polaron bands the theory allows for the description of large and small polarons and serves as a starting point for computational studies. The theoretical description is completed by using ab initio material parameters for the selected crystals under study. These material parameters are taken from density functional theory calculations for durene, naphthalene, and guanine crystals. Besides the analysis of the transport mechanism, special focus is put on the study of the relationship between mobility anisotropy and structure of the crystals. This study is supported by a 3D-visualization method for the transport channels in such crystals which has been derived in this thesis. (orig.)

The complete information for phenomenal distributed parameter control of multicomponent chemical processes in gas, fluid and solid phase

International Nuclear Information System (INIS)

Niemiec, W.

1985-01-01

A constitutive mathematical model of distributed parameters of multicomponent chemical processes in gas, fluid and solid phase is utilized to the realization of phenomenal distributed parameter control of these processes. Original systems of partial differential constitutive state equations, in the following derivative forms /I/, /II/ and /III/ are solved in this paper from the point of view of information for phenomenal distributed parameter control of considered processes. Obtained in this way for multicomponent chemical processes in gas, fluid and solid phase: -dynamical working space-time characteristics/analytical solutions in working space-time of chemical reactors/, -dynamical phenomenal Green functions as working space-time transfer functions, -statical working space characteristics /analytical solutions in working space of chemical reactors/, -statical phenomenal Green functions as working space transfer functions, are applied, as information for realization of constitutive distributed parameter control of mass, energy and momentum aspects of above processes. Two cases are considered by existence of: A/sup o/ - initial conditions, B/sup o/ - initial and boundary conditions, for multicomponent chemical processes in gas, fluid and solid phase

Space: A new frontier

Science.gov (United States)

Cutolo, Mona; Miranda, Denis M.

1986-08-01

The challenges and the promises of space colonization present an exciting opportunity for exploring and analyzing the values, the institutions and the physical environments we have created on Earth. Here we describe an interdisciplinary course, team-taught, that examines the current state of space exploration and the innovative technologies spawned by space research. The course also explores the possible social, economic, political and international impacts of migration to space of people and industries. A course project is to design a space colony for a community of 10,000 people. Given the technical design parameters and other details, the students are to engineer socially an ideal community, bearing in mind the short lifetimes of utopian communities of the past. The process is intended to help the students gain a fair understanding of the dynamics of human societies and of the technologies we have developed that enable us to change our world and to design new worlds.

On variations of space-heating energy use in office buildings

International Nuclear Information System (INIS)

Lin, Hung-Wen; Hong, Tianzhen

2013-01-01

Highlights: • Space heating is the largest energy end use in the U.S. building sector. • A key design and operational parameters have the most influence on space heating. • Simulated results were benchmarked against actual results to analyze discrepancies. • Yearly weather changes have significant impact on space heating energy use. • Findings enable stakeholders to make better decisions on energy efficiency. - Abstract: Space heating is the largest energy end use, consuming more than seven quintillion joules of site energy annually in the U.S. building sector. A few recent studies showed discrepancies in simulated space-heating energy use among different building energy modeling programs, and the simulated results are suspected to be underpredicting reality. While various uncertainties are associated with building simulations, especially when simulations are performed by different modelers using different simulation programs for buildings with different configurations, it is crucial to identify and evaluate key driving factors to space-heating energy use in order to support the design and operation of low-energy buildings. In this study, 10 design and operation parameters for space-heating systems of two prototypical office buildings in each of three U.S. heating climates are identified and evaluated, using building simulations with EnergyPlus, to determine the most influential parameters and their impacts on variations of space-heating energy use. The influence of annual weather change on space-heating energy is also investigated using 30-year actual weather data. The simulated space-heating energy use is further benchmarked against those from similar actual office buildings in two U.S. commercial-building databases to better understand the discrepancies between simulated and actual energy use. In summary, variations of both the simulated and actual space-heating energy use of office buildings in all three heating climates can be very large. However

An improved parameter estimation and comparison for soft tissue constitutive models containing an exponential function.

Science.gov (United States)

Aggarwal, Ankush

2017-08-01

Motivated by the well-known result that stiffness of soft tissue is proportional to the stress, many of the constitutive laws for soft tissues contain an exponential function. In this work, we analyze properties of the exponential function and how it affects the estimation and comparison of elastic parameters for soft tissues. In particular, we find that as a consequence of the exponential function there are lines of high covariance in the elastic parameter space. As a result, one can have widely varying mechanical parameters defining the tissue stiffness but similar effective stress-strain responses. Drawing from elementary algebra, we propose simple changes in the norm and the parameter space, which significantly improve the convergence of parameter estimation and robustness in the presence of noise. More importantly, we demonstrate that these changes improve the conditioning of the problem and provide a more robust solution in the case of heterogeneous material by reducing the chances of getting trapped in a local minima. Based upon the new insight, we also propose a transformed parameter space which will allow for rational parameter comparison and avoid misleading conclusions regarding soft tissue mechanics.

RFI and Remote Sensing of the Earth from Space

Science.gov (United States)

Le Vine, D. M.; Johnson, J. T.; Piepmeier, J.

2016-01-01

Passive microwave remote sensing of the Earth from space provides information essential for understanding the Earth's environment and its evolution. Parameters such as soil moisture, sea surface temperature and salinity, and profiles of atmospheric temperature and humidity are measured at frequencies determined by the physics (e.g. sensitivity to changes in desired parameters) and by the availability of suitable spectrum free from interference. Interference from manmade sources (radio frequency interference) is an impediment that in many cases limits the potential for accurate measurements from space. A review is presented here of the frequencies employed in passive microwave remote sensing of the Earth from space and the associated experience with RFI.

Empty space-times with separable Hamilton-Jacobi equation

International Nuclear Information System (INIS)

Collinson, C.D.; Fugere, J.

1977-01-01

All empty space-times admitting a one-parameter group of motions and in which the Hamilton-Jacobi equation is (partially) separable are obtained. Several different cases of such empty space-times exist and the Riemann tensor is found to be either type D or N. The results presented here complete the search for empty space-times with separable Hamilton-Jacobi equation. (author)

Space tether dynamics: an introduction

Science.gov (United States)

Denny, Mark

2018-05-01

The dynamics of orbiting tethers (space elevators and skyhooks) is developed from an unusual direction: Lagrangian rather than Newtonian mechanics. These basic results are derived among others: space elevator required length with and without counterweight, location and magnitude of maximum tether tension, skyhook orbital parameters and tether tension. These conceptual devices are being increasingly discussed as technologically feasible; here they make an interesting pedagogical application of Lagrangian mechanics suitable for undergraduate physics students.

Y spaces and global smooth solution of fractional Navier-Stokes equations with initial value in the critical oscillation spaces

Science.gov (United States)

Yang, Qixiang; Yang, Haibo

2018-04-01

For fractional Navier-Stokes equations and critical initial spaces X, one used to establish the well-posedness in the solution space which is contained in C (R+ , X). In this paper, for heat flow, we apply parameter Meyer wavelets to introduce Y spaces Y m , β where Y m , β is not contained in C (R+, B˙∞ 1 - 2 β , ∞). Consequently, for 1/2 global well-posedness of fractional Navier-Stokes equations with small initial data in all the critical oscillation spaces. The critical oscillation spaces may be any Besov-Morrey spaces (B˙p,q γ1 ,γ2 (Rn)) n or any Triebel-Lizorkin-Morrey spaces (F˙p,q γ1 ,γ2 (Rn)) n where 1 ≤ p , q ≤ ∞ , 0 ≤γ2 ≤ n/p, γ1 -γ2 = 1 - 2 β. These critical spaces include many known spaces. For example, Besov spaces, Sobolev spaces, Bloch spaces, Q-spaces, Morrey spaces and Triebel-Lizorkin spaces etc.

Design space pruning through hybrid analysis in system-level design space exploration

NARCIS (Netherlands)

Piscitelli, R.; Pimentel, A.D.

2012-01-01

System-level design space exploration (DSE), which is performed early in the design process, is of eminent importance to the design of complex multi-processor embedded system archi- tectures. During system-level DSE, system parameters like, e.g., the number and type of processors, the type and size

Heat Conduction of Air in Nano Spacing

Directory of Open Access Journals (Sweden)

Zhang Yao-Zhong

2009-01-01

Full Text Available Abstract The scale effect of heat conduction of air in nano spacing (NS is very important for nanodevices to improve their life and efficiency. By constructing a special technique, the changes of heat conduction of air were studied by means of measuring the heat conduction with heat conduction instrument in NS between the hot plate and the cooling plate. Carbon nanotubes were used to produce the nano spacing. The results show that when the spacing is small down to nanometer scale, heat conduction plays a prominent role in NS. It was found that the thickness of air is a non-linear parameter for demarcating the heat conduction of air in NS and the rate of heat conduction in unit area could be regard as a typical parameter for the heat conduction characterization at nanometer scale.

pypet: A Python Toolkit for Data Management of Parameter Explorations

Directory of Open Access Journals (Sweden)

Robert Meyer

2016-08-01

Full Text Available pypet (Python parameter exploration toolkit is a new multi-platform Python toolkit for managing numerical simulations. Sampling the space of model parameters is a key aspect of simulations and numerical experiments. pypet is designed to allow easy and arbitrary sampling of trajectories through a parameter space beyond simple grid searches.pypet collects and stores both simulation parameters and results in a single HDF5 file.This collective storage allows fast and convenient loading of data for further analyses.pypet provides various additional features such as multiprocessing and parallelization of simulations, dynamic loading of data, integration of git version control, and supervision of experiments via the electronic lab notebook Sumatra. pypet supports a rich set of data formats, including native Python types, Numpy and Scipy data, Pandas DataFrames, and BRIAN(2 quantities. Besides these formats, users can easily extend the toolkit to allow customized data types. pypet is a flexible tool suited for both short Python scripts and large scale projects. pypet's various features, especially the tight link between parameters and results, promote reproducible research in computational neuroscience and simulation-based disciplines.

Fermi field and Dirac oscillator in a Som-Raychaudhuri space-time

Science.gov (United States)

de Montigny, Marc; Zare, Soroush; Hassanabadi, Hassan

2018-05-01

We investigate the relativistic dynamics of a Dirac field in the Som-Raychaudhuri space-time, which is described by a Gödel-type metric and a stationary cylindrical symmetric solution of Einstein field equations for a charged dust distribution in rigid rotation. In order to analyze the effect of various physical parameters of this space-time, we solve the Dirac equation in the Som-Raychaudhuri space-time and obtain the energy levels and eigenfunctions of the Dirac operator by using the Nikiforov-Uvarov method. We also examine the behaviour of the Dirac oscillator in the Som-Raychaudhuri space-time, in particular, the effect of its frequency and the vorticity parameter.

Heuristic learning parameter identification for surveillance and diagnostics of nuclear power plants

International Nuclear Information System (INIS)

Machado, E.L.

1983-01-01

A new method of heuristic reinforcement learning was developed for parameter identification purposes. In essence, this new parameter identification technique is based on the idea of breaking a multidimensional search for the minimum of a given functional into a set of unidirectional searches in parameter space. Each search situation is associated with one block in a memory organized into cells, where the information learned about the situations is stored (e.g. the optimal directions in parameter space). Whenever the search falls into an existing memory cell, the system chooses the learned direction. For new search situations, the system creates additional memory cells. This algorithm imitates the following cognitive process: 1) characterize a situation, 2) select an optimal action, 3) evaluate the consequences of the action, and 4) memorize the results for future use. As a result, this algorithm is trainable in the sense that it can learn from previous experience within a specific class of parameter identification problems

Central Structural Parameters of Early-Type Galaxies as Viewed with Nicmos on the Hubble Space Telescope

Science.gov (United States)

Ravindranath, Swara; Ho, Luis C.; Peng, Chien Y.; Filippenko, Alexei V.; Sargent, Wallace L. W.

2001-08-01

We present surface photometry for the central regions of a sample of 33 early-type (E, S0, and S0/a) galaxies observed at 1.6 μm (H band) using the Hubble Space Telescope. Dust absorption has less of an impact on the galaxy morphologies in the near-infrared than found in previous work based on observations at optical wavelengths. When present, dust seems to be most commonly associated with optical line emission. We employ a new technique of two-dimensional fitting to extract quantitative parameters for the bulge light distribution and nuclear point sources, taking into consideration the effects of the point-spread function. By parameterizing the bulge profile with a Nuker law, we confirm that the central surface brightness distributions largely fall into two categories, each of which correlates with the global properties of the galaxies. ``Core'' galaxies tend to be luminous elliptical galaxies with boxy or pure elliptical isophotes, whereas ``power-law'' galaxies are preferentially lower luminosity systems with disky isophotes. The infrared surface brightness profiles are very similar to those in the optical, with notable exceptions being very dusty objects. Similar to the study of Faber et al., based on optical data, we find that galaxy cores obey a set of fundamental plane relations wherein more luminous galaxies with higher central stellar velocity dispersions generally possess larger cores with lower surface brightnesses. Unlike most previous studies, however, we do not find a clear gap in the distribution of inner cusp slopes; several objects have inner cusp slopes (0.3law galaxies. The nature of these intermediate objects is unclear. We draw attention to two objects in the sample that appear to be promising cases of galaxies with isothermal cores that are not the brightest members of a cluster. Unresolved nuclear point sources are found in ~50% of the sample galaxies, roughly independent of profile type, with magnitudes in the range mnucH=12.8 to 17.4 mag

Evaluating the Performance of Polynomial Regression Method with Different Parameters during Color Characterization

Directory of Open Access Journals (Sweden)

Bangyong Sun

2014-01-01

Full Text Available The polynomial regression method is employed to calculate the relationship of device color space and CIE color space for color characterization, and the performance of different expressions with specific parameters is evaluated. Firstly, the polynomial equation for color conversion is established and the computation of polynomial coefficients is analysed. And then different forms of polynomial equations are used to calculate the RGB and CMYK’s CIE color values, while the corresponding color errors are compared. At last, an optimal polynomial expression is obtained by analysing several related parameters during color conversion, including polynomial numbers, the degree of polynomial terms, the selection of CIE visual spaces, and the linearization.

Using the Talbot_Lau_interferometer_parameters Spreadsheet

Energy Technology Data Exchange (ETDEWEB)

Kallman, Jeffrey S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2015-06-04

Talbot-Lau interferometers allow incoherent X-ray sources to be used for phase contrast imaging. A spreadsheet for exploring the parameter space of Talbot and Talbot-Lau interferometers has been assembled. This spreadsheet allows the user to examine the consequences of choosing phase grating pitch, source energy, and source location on the overall geometry of a Talbot or Talbot-Lau X-ray interferometer. For the X-ray energies required to penetrate scanned luggage the spacing between gratings is large enough that the mechanical tolerances for amplitude grating positioning are unlikely to be met.

Energy and legislation in outer space

International Nuclear Information System (INIS)

Hurtak, J.J.

1984-01-01

In this paper, the different energy resources applicable in cosmic space are considered with respect to their function (energy acquiring, energy conversion, energy transmission and energy storage). Among these, nuclear energy is paid attention to (fission and fusion in rocket engines and the use of radioisotopes in energy conversion and storage). Approximate system performance parameters are listed. Furthermore, space law concerning new resources is discussed. (Auth.)

The concept of temperature in space plasmas

Science.gov (United States)

Livadiotis, G.

2017-12-01

Independently of the initial distribution function, once the system is thermalized, its particles are stabilized into a specific distribution function parametrized by a temperature. Classical particle systems in thermal equilibrium have their phase-space distribution stabilized into a Maxwell-Boltzmann function. In contrast, space plasmas are particle systems frequently described by stationary states out of thermal equilibrium, namely, their distribution is stabilized into a function that is typically described by kappa distributions. The temperature is well-defined for systems at thermal equilibrium or stationary states described by kappa distributions. This is based on the equivalence of the two fundamental definitions of temperature, that is (i) the kinetic definition of Maxwell (1866) and (ii) the thermodynamic definition of Clausius (1862). This equivalence holds either for Maxwellians or kappa distributions, leading also to the equipartition theorem. The temperature and kappa index (together with density) are globally independent parameters characterizing the kappa distribution. While there is no equation of state or any universal relation connecting these parameters, various local relations may exist along the streamlines of space plasmas. Observations revealed several types of such local relations among plasma thermal parameters.

Polyacetylene and relativistic field-theory models

International Nuclear Information System (INIS)

Bishop, A.R.; Campbell, D.K.; Fesser, K.

1981-01-01

Connections between continuum, mean-field, adiabatic Peierls-Froehlich theory in the half-filled band limit and known field theory results are discussed. Particular attention is given to the phi 4 model and to the solvable N = 2 Gross-Neveu model. The latter is equivalent to the Peierls system at a static, semi-classical level. Based on this equivalence we note the prediction of both kink and polaron solitons in models of trans-(CH)/sub x/. Polarons in cis-(CH)/sub x/ are compared with those in the trans isomer. Optical absorption from polarons is described, and general experimental consequences of polarons in (CH)/sub x/ and other conjugated polymers is discussed

Reciprocal carrier collection in organic photovoltaics

KAUST Repository

Renshaw, C. Kyle

2011-07-18

Buffer layers between the acceptor and cathode can perform several functions in organic photovoltaic devices, such as providing exciton blocking, protection of active layers against damage from cathode deposition, and optical spacing to maximize the electric field in the active device region. Here, we study electron collection by replacing the common buffer layer, bathocuproine, with a series of six, substituted tris(β-diketonato)Ru(III) analogues in the structure: indium-tin-oxide/copper phthalocyanine/C60/buffer/Ag. These buffer layers enable collection of photogenerated electrons by transporting holes from the cathode to the C60/buffer interface, followed by recombination with photogenerated electrons in the acceptor. We use a model for free-polaron and polaron-pair dynamics to describe device operation and the observed inflection in the current-voltage characteristics. The device characteristics are understood in terms of hole transfer from the highest occupied molecular orbital energy levels of several Ru-complexes to the acceptor. © 2011 American Physical Society.

Reciprocal carrier collection in organic photovoltaics

KAUST Repository

Renshaw, C. Kyle; Schlenker, Cody W.; Thompson, Mark E.; Forrest, Stephen R.

2011-01-01

Buffer layers between the acceptor and cathode can perform several functions in organic photovoltaic devices, such as providing exciton blocking, protection of active layers against damage from cathode deposition, and optical spacing to maximize the electric field in the active device region. Here, we study electron collection by replacing the common buffer layer, bathocuproine, with a series of six, substituted tris(β-diketonato)Ru(III) analogues in the structure: indium-tin-oxide/copper phthalocyanine/C60/buffer/Ag. These buffer layers enable collection of photogenerated electrons by transporting holes from the cathode to the C60/buffer interface, followed by recombination with photogenerated electrons in the acceptor. We use a model for free-polaron and polaron-pair dynamics to describe device operation and the observed inflection in the current-voltage characteristics. The device characteristics are understood in terms of hole transfer from the highest occupied molecular orbital energy levels of several Ru-complexes to the acceptor. © 2011 American Physical Society.

EPR investigations of silicon carbide nanoparticles functionalized by acid doped polyaniline

Science.gov (United States)

Karray, Fekri; Kassiba, Abdelhadi

2012-06-01

Nanocomposites (SiC-PANI) based on silicon carbide nanoparticles (SiC) encapsulated in conducting polyaniline (PANI) are synthesized by direct polymerization of PANI on the nanoparticle surfaces. The conductivity of PANI and the nanocomposites was modulated by several doping levels of camphor sulfonic acid (CSA). Electron paramagnetic resonance (EPR) investigations were carried out on representative SiC-PANI samples over the temperature range [100-300 K]. The features of the EPR spectra were analyzed taking into account the paramagnetic species such as polarons with spin S=1/2 involved in two main environments realized in the composites as well as their thermal activation. A critical temperature range 200-225 K was revealed through crossover changes in the thermal behavior of the EPR spectral parameters. Insights on the electronic transport properties and their thermal evolutions were inferred from polarons species probed by EPR and the electrical conductivity in doped nanocomposites.

EPR investigations of silicon carbide nanoparticles functionalized by acid doped polyaniline

Energy Technology Data Exchange (ETDEWEB)

Karray, Fekri [Laboratoire des materiaux Ceramiques Composites et Polymeres, Faculte des Sciences de Sfax, BP 802, 3018 Sfax (Tunisia); Kassiba, Abdelhadi, E-mail: kassiba@univ-lemans.fr [Institute of Molecules and Materials of Le Mans (I3M), UMR-CNRS 6283, Universite du Maine, 72085 Le Mans (France)

2012-06-15

Nanocomposites (SiC-PANI) based on silicon carbide nanoparticles (SiC) encapsulated in conducting polyaniline (PANI) are synthesized by direct polymerization of PANI on the nanoparticle surfaces. The conductivity of PANI and the nanocomposites was modulated by several doping levels of camphor sulfonic acid (CSA). Electron paramagnetic resonance (EPR) investigations were carried out on representative SiC-PANI samples over the temperature range [100-300 K]. The features of the EPR spectra were analyzed taking into account the paramagnetic species such as polarons with spin S=1/2 involved in two main environments realized in the composites as well as their thermal activation. A critical temperature range 200-225 K was revealed through crossover changes in the thermal behavior of the EPR spectral parameters. Insights on the electronic transport properties and their thermal evolutions were inferred from polarons species probed by EPR and the electrical conductivity in doped nanocomposites.

From stochastic phase-space evolution to brownian motion in collective space

Energy Technology Data Exchange (ETDEWEB)

Benhassine, B. (Lab. de Physique Nucleaire/ CNRS et Univ. de Nantes, 44 Nantes (France)); Farine, M. (Lab. de Physique Nucleaire/ CNRS et Univ. de Nantes, 44 Nantes (France) Ecole Navale, Lamveoc-Loulmic, 29 Brest-Naval (France)); Hernandez, E.S. (Dept. de Fisica - Facultad de Ciencias Exactas y Naturales, Univ. de Buenos Aires (Argentina)); Idier, D. (Lab. de Physique Nucleaire/ CNRS et Univ. de Nantes, 44 Nantes (France)); Remaud, B. (Lab. de Physique Nucleaire/ CNRS et Univ. de Nantes, 44 Nantes (France)); Sebille, F. (Lab. de Physique Nucleaire/ CNRS et Univ. de Nantes, 44 Nantes (France))

1994-01-24

Within the framework of stochastic transport equations in phase space, we study the dynamics of fluctuations on collective variables in homogeneous fermion systems. The transport coefficients are formally deduced in the relaxation-time approximation and a general method to compute dynamically the dispersions of collective observables is proposed as a set of coupled equations: respectively, the BUU/Landau-Vlasov equation for the average phase-space trajectories and the equations for the averages and dispersions of the observables. Independently, we derive the general covariance matrix of phase-space fluctuations and then by projection, the dispersion on collective variables at equilibrium. Detailed numerical applications of the formalism are given; they show that the dynamics of fluctuations can be extracted from noisy numerical simulations and that the leading parameter for collective fluctuations is the excitation energy, whatever is its degree of thermalization. (orig.)

From stochastic phase-space evolution to brownian motion in collective space

International Nuclear Information System (INIS)

Benhassine, B.; Farine, M.; Hernandez, E.S.; Idier, D.; Remaud, B.; Sebille, F.

1994-01-01

Within the framework of stochastic transport equations in phase space, we study the dynamics of fluctuations on collective variables in homogeneous fermion systems. The transport coefficients are formally deduced in the relaxation-time approximation and a general method to compute dynamically the dispersions of collective observables is proposed as a set of coupled equations: respectively, the BUU/Landau-Vlasov equation for the average phase-space trajectories and the equations for the averages and dispersions of the observables. Independently, we derive the general covariance matrix of phase-space fluctuations and then by projection, the dispersion on collective variables at equilibrium. Detailed numerical applications of the formalism are given; they show that the dynamics of fluctuations can be extracted from noisy numerical simulations and that the leading parameter for collective fluctuations is the excitation energy, whatever is its degree of thermalization. (orig.)

From stochastic phase space evolution to Brownian motion in collective space

International Nuclear Information System (INIS)

Benhassine, B.; Farine, M.; Hernandez, E.S.; Idier, D.; Remaud, B.; Sebille, F.

1993-01-01

Within the framework of stochastic transport equations in phase space, the dynamics of fluctuations on collective variables in homogeneous fermion systems is studied. The transport coefficients are formally deduced in the relaxation time approximation and a general method to compute dynamically the dispersions of collective observables is proposed as a set of coupled equations. Independently, the general covariance matrix of phase space fluctuations and the dispersion on collective variables at equilibrium are derived. Detailed numerical applications show that dynamics of fluctuations can be extracted from noisy numerical simulations and that the leading parameter for collective fluctuations is the excitation energy whatever is its degree of thermalization. (authors). 16 refs., 12 figs

Planetary and Space Simulation Facilities (PSI) at DLR

Science.gov (United States)

Panitz, Corinna; Rabbow, E.; Rettberg, P.; Kloss, M.; Reitz, G.; Horneck, G.

2010-05-01

The Planetary and Space Simulation facilities at DLR offer the possibility to expose biological and physical samples individually or integrated into space hardware to defined and controlled space conditions like ultra high vacuum, low temperature and extraterrestrial UV radiation. An x-ray facility stands for the simulation of the ionizing component at the disposal. All of the simulation facilities are required for the preparation of space experiments: - for testing of the newly developed space hardware - for investigating the effect of different space parameters on biological systems as a preparation for the flight experiment - for performing the 'Experiment Verification Tests' (EVT) for the specification of the test parameters - and 'Experiment Sequence Tests' (EST) by simulating sample assemblies, exposure to selected space parameters, and sample disassembly. To test the compatibility of the different biological and chemical systems and their adaptation to the opportunities and constraints of space conditions a profound ground support program has been developed among many others for the ESA facilities of the ongoing missions EXPOSE-R and EXPOSE-E on board of the International Space Station ISS . Several experiment verification tests EVTs and an experiment sequence test EST have been conducted in the carefully equipped and monitored planetary and space simulation facilities PSI of the Institute of Aerospace Medicine at DLR in Cologne, Germany. These ground based pre-flight studies allowed the investigation of a much wider variety of samples and the selection of the most promising organisms for the flight experiment. EXPOSE-E had been attached to the outer balcony of the European Columbus module of the ISS in February 2008 and stayed for 1,5 years in space; EXPOSE-R has been attached to the Russian Svezda module of the ISS in spring 2009 and mission duration will be approx. 1,5 years. The missions will give new insights into the survivability of terrestrial

Elementary particles in curved spaces

International Nuclear Information System (INIS)

Lazanu, I.

2004-01-01

The theories in particle physics are developed currently, in Minkowski space-time starting from the Poincare group. A physical theory in flat space can be seen as the limit of a more general physical theory in a curved space. At the present time, a theory of particles in curved space does not exist, and thus the only possibility is to extend the existent theories in these spaces. A formidable obstacle to the extension of physical models is the absence of groups of motion in more general Riemann spaces. A space of constant curvature has a group of motion that, although differs from that of a flat space, has the same number of parameters and could permit some generalisations. In this contribution we try to investigate some physical implications of the presumable existence of elementary particles in curved space. In de Sitter space (dS) the invariant rest mass is a combination of the Poincare rest mass and the generalised angular momentum of a particle and it permits to establish a correlation with the vacuum energy and with the cosmological constant. The consequences are significant because in an experiment the local structure of space-time departs from the Minkowski space and becomes a dS or AdS space-time. Discrete symmetry characteristics of the dS/AdS group suggest some arguments for the possible existence of the 'mirror matter'. (author)

Bose polaron as an instance of quantum Brownian motion

Directory of Open Access Journals (Sweden)

Aniello Lampo

2017-09-01

Full Text Available We study the dynamics of a quantum impurity immersed in a Bose-Einstein condensate as an open quantum system in the framework of the quantum Brownian motion model. We derive a generalized Langevin equation for the position of the impurity. The Langevin equation is an integrodifferential equation that contains a memory kernel and is driven by a colored noise. These result from considering the environment as given by the degrees of freedom of the quantum gas, and thus depend on its parameters, e.g. interaction strength between the bosons, temperature, etc. We study the role of the memory on the dynamics of the impurity. When the impurity is untrapped, we find that it exhibits a super-diffusive behavior at long times. We find that back-flow in energy between the environment and the impurity occurs during evolution. When the particle is trapped, we calculate the variance of the position and momentum to determine how they compare with the Heisenberg limit. One important result of this paper is that we find position squeezing for the trapped impurity at long times. We determine the regime of validity of our model and the parameters in which these effects can be observed in realistic experiments.

Parameter estimation in stochastic rainfall-runoff models

DEFF Research Database (Denmark)

Jonsdottir, Harpa; Madsen, Henrik; Palsson, Olafur Petur

2006-01-01

A parameter estimation method for stochastic rainfall-runoff models is presented. The model considered in the paper is a conceptual stochastic model, formulated in continuous-discrete state space form. The model is small and a fully automatic optimization is, therefore, possible for estimating all...... the parameter values are optimal for simulation or prediction. The data originates from Iceland and the model is designed for Icelandic conditions, including a snow routine for mountainous areas. The model demands only two input data series, precipitation and temperature and one output data series...

Man in space - A time for perspective. [crew performance on Space Shuttle-Spacelab program

Science.gov (United States)

Winter, D. L.

1975-01-01

Factors affecting crew performances in long-term space flights are examined with emphasis on the Space Shuttle-Spacelab program. Biomedical investigations carried out during four Skylab missions indicate that initially rapid changes in certain physiological parameters, notably in cardiovascular response and red-blood-cell levels, lead to an adapted condition. Calcium loss remains a potential problem. Space Shuttle environmental control and life-support systems are described together with technology facilitating performance of mission objectives in a weightless environment. It is concluded that crew requirements are within the physical and psychological capability of astronauts, but the extent to which nonastronaut personnel will be able to participate without extensive training and pre-conditioning remains to be determined.

Continuous imaging space in three-dimensional integral imaging

International Nuclear Information System (INIS)

Zhang Lei; Yang Yong; Wang Jin-Gang; Zhao Xing; Fang Zhi-Liang; Yuan Xiao-Cong

2013-01-01

We report an integral imaging method with continuous imaging space. This method simultaneously reconstructs real and virtual images in the virtual mode, with a minimum gap that separates the entire imaging space into real and virtual space. Experimental results show that the gap is reduced to 45% of that in a conventional integral imaging system with the same parameters. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Optical investigations of La0.7Ca0.3-xKxMnO3 (x = 0.00, 0.05 and 0.10 probed by spectroscopic ellipsometry

Directory of Open Access Journals (Sweden)

N. Sdiri

2012-07-01

Full Text Available Using spectroscopic ellipsometry, we have studied the optical properties of doped manganites at the paramagnetic state in polycrystalline La0.7Ca0.3-xKxMnO3 samples for (x = 0.00, 0.05 and 0.10 in the energy range of 3.2-5.5 eV at room temperature. The surface morphology of the samples was obtained by using atomic force microscopy (AFM. Refractive indices, extinction coefficients, the transmission ellipsometric parameters Ψ and Δ are investigated at different wavelengths. The study of the optical conductivity σ reveals that optical behaviour and the activated transport in the paramagnetic state of these materials are consistent with Jahn-Teller small polaron. In addition, the spectrum of the complex dielectric constant ε reveals peaks for all samples, the results may be explained by the presence of space charges from the strongly dipole-allowed O(2p−Mn(3d transition.

Multi-Parameter Measurement in Unseeded Flows using Femtosecond Lasers

Data.gov (United States)

National Aeronautics and Space Administration — Our approach is to use new turn-key femtosecond laser technology along with new high-speed CMOS camera technology to build a multi-parameter measurement system based...