''Super-radiant'' states in intermediate energy nuclear physics

International Nuclear Information System (INIS)

Auerbach, N.

1994-01-01

A ''super-radiant'' state emerges when, under certain conditions, one or a few ''internal'' states acquire a large collective decay width due to the coupling to one or a few ''external'' decay channels. The rest of the internal states are ''stripped'' of their decay width and become long lived quasistationary states. The essentials of such mechanism and its possible role in intermediate energy nuclear physics are discussed in this work

On intermediate structures in heavy ion reactions

International Nuclear Information System (INIS)

Rotter, I.

1977-01-01

The conceptions of the nuclear reaction theory are reinvestigated on the basis of the continuum shell model. The correlation of the resonance states via the continuum can lead to intermediate structures in the cross section. (Auth.)

Necessity of intermediate mass scales in grand unified theories with spontaneously broken CP invariance

International Nuclear Information System (INIS)

Senjanovic, G.

1982-07-01

It is demonstrated that the spontaneous breakdown of CP invariance in grand unified theories requires the presence of intermediate mass scales. The simplest realization is provided by weakly broken left-right symmetry in the context of SU(2)sub(L) x SU(2)sub(R) x U(1)sub(B-L) model embedded in grand unified theories. (author)

Boomerang RG flows in M-theory with intermediate scaling

Science.gov (United States)

Donos, Aristomenis; Gauntlett, Jerome P.; Rosen, Christopher; Sosa-Rodriguez, Omar

2017-07-01

We construct novel RG flows of D=11 supergravity that asymptotically approach AdS 4 × S 7 in the UV with deformations that break spatial translations in the dual field theory. In the IR the solutions return to exactly the same AdS 4 × S 7 vacuum, with a renormalisation of relative length scales, and hence we refer to the flows as `boomerang RG flows'. For sufficiently large deformations, on the way to the IR the solutions also approach two distinct intermediate scaling regimes, each with hyperscaling violation. The first regime is Lorentz invariant with dynamical exponent z = 1 while the second has z = 5/2. Neither ofthe two intermediatescaling regimesare associatedwith exact hyperscaling violation solutions of D = 11 supergravity. The RG flow solutions are constructed using the four dimensional N = 2 STU gauged supergravity theory with vanishing gauge fields, but non-vanishing scalar and pseudoscalar fields. In the ABJM dual field theory the flows are driven by spatially modulated deformation parameters for scalar and fermion bilinear operators.

Needs for experiment and theory in intermediate energy reactions

International Nuclear Information System (INIS)

Blann, M.

1991-01-01

We summarize several reasons intermediate energy data are needed in both basic and applied science. The status of the data base at energies up to 2 GeV is cursorily reviewed. Experimental excitation functions, single and double differential cross sections are compared with predictions of the nuclear model code ALICE. The strengths and weaknesses of the code to reproduce data are summarized. Opinions are given as to areas where data are too few or totally lacking, yet are needed for the verification of models and theories. (author). 25 refs, 22 figs

Ultrasonic attenuation in the superconducting and intermediate states of pure and doped type I superconductors

International Nuclear Information System (INIS)

Chaudhuri, K.D.; Singh, R.

1982-01-01

The attenuation of longitudinal ultrasonic waves has been measured in single crystals of indium (99.999%), indium doped with 0.003 at % of tin, and indium doped with 0.002 at % of bismuth in the intermediate and superconducting states over the frequency range 10--30 MHz. For the bismuth-doped indium specimen, measurements were taken for three different physical states, i.e., for three different dislocation densities, and for the indium and the tin-doped indium specimens, measurements were for one-physical state. For a particular measurement, the same physical state was maintained both in the intermediate and superconducting states. A temperature-dependent oscillatory behavior of the ultrasonic attenuation was observed in the intermediate state in all the three specimens, but in the superconducting state the oscillatory behavior was observed only in the bismuth-doped specimen. Two phases have been identified in the superconducting layers of the intermediate state and there is only one phase in the superconducting state of the bismuth-doped sample. The origin of the two phases in the intermediate state and that of the single phase in the superconducting state of the bismuth-doped sample are discussed. A qualitative explanation is presented for the occurrence of oscillatory attenuation in the intermediate state irrespective of the nature of the dopant and the selective occurrence of oscillatory attenuation in the superconducting state due to the nature of the dopant

q-Gamow states for intermediate energies

Energy Technology Data Exchange (ETDEWEB)

Plastino, A. [La Plata National University and Argentina' s National Research Council, (IFLP-CCT-CONICET)-C. C. 727, 1900 La Plata (Argentina); Rocca, M.C., E-mail: mariocarlosrocca@gmail.com [La Plata National University and Argentina' s National Research Council, (IFLP-CCT-CONICET)-C. C. 727, 1900 La Plata (Argentina); Ferri, G.L. [Fac. de C. Exactas, National University La Pampa, Peru y Uruguay, Santa Rosa, La Pampa (Argentina); Zamora, D.J. [La Plata National University and Argentina' s National Research Council, (IFLP-CCT-CONICET)-C. C. 727, 1900 La Plata (Argentina)

2016-11-15

In a recent paper Plastino and Rocca (2016) [18] we have demonstrated the possible existence of Tsallis' q-Gamow states. Now, accelerators' experimental evidence for Tsallis' distributions has been ascertained only at very high energies. Here, instead, we develop a different set of q-Gamow states for which the associated q-Breit–Wigner distribution could easily be found at intermediate energies, for which accelerators are available at many locations. In this context, it should be strongly emphasized Vignat and Plastino (2009) [2] that, empirically, one never exactly and unambiguously “detects” pure Gaussians, but rather q-Gaussians. A prediction is made via Eq. (3.4).

Variational transition-state theory

International Nuclear Information System (INIS)

Truhlar, D.G.; Garrett, B.C.

1980-01-01

A general introduction to and some results from studies of a procedure called variational transition-state theory are presented. A fundamental assumption of this theory is that the net rate of forward reaction at equilibrium equals the equilibrium flux in the product direction through the transition state where the transition state is a surface in phase space dividing reactants from products. Classical generalized-transition-state-theory calculations for nine collinear systems are compared to classical trajectory calculations. This new technique should provide useful insight into the successes and failures of the conventional theory and useful quantitative estimates of possible errors on the predictions of conventional transition-state theory. This should also contribute to a more accurate theory now available for the practical calculations of chemical reaction rates and thermochemical and structural interpretations of rate processes

Variational Transition State Theory

Energy Technology Data Exchange (ETDEWEB)

Truhlar, Donald G. [Univ. of Minnesota, Minneapolis, MN (United States)

2016-09-29

This is the final report on a project involving the development and applications of variational transition state theory. This project involved the development of variational transition state theory for gas-phase reactions, including optimized multidimensional tunneling contributions and the application of this theory to gas-phase reactions with a special emphasis on developing reaction rate theory in directions that are important for applications to combustion. The development of variational transition state theory with optimized multidimensional tunneling as a useful computational tool for combustion kinetics involved eight objectives.

The MHD intermediate shock interaction with an intermediate wave: Are intermediate shocks physical?

International Nuclear Information System (INIS)

Wu, C.C.

1988-01-01

Contrary to the usual belief that MHD intermediate shocks are extraneous, the authors have recently shown by numerical solutions of dissipative MHD equations that intermediate shocks are admissible and can be formed through nonlinear steepening from a continuous wave. In this paper, he clarifies the differences between the conventional view and the results by studying the interaction of an MHD intermediate shock with an intermediate wave. The study reaffirms his results. In addition, the study shows that there exists a larger class of shocklike solutions in the time-dependent dissiaptive MHD equations than are given by the MHD Rankine-Hugoniot relations. it also suggests a mechanism for forming rotational discontinuities through the interaction of an intermediate shock with an intermediate wave. The results are of importance not only to the MHD shock theory but also to studies such as magnetic field reconnection models

Self-consistent field theory for the interactions between keratin intermediate filaments

International Nuclear Information System (INIS)

Akinshina, Anna; Jambon-Puillet, Etienne; Warren, Patrick B; Noro, Massimo G

2013-01-01

Keratins are important structural proteins found in skin, hair and nails. Keratin Intermediate Filaments are major components of corneocytes, nonviable horny cells of the Stratum Corneum, the outermost layer of skin. It is considered that interactions between unstructured domains of Keratin Intermediate Filaments are the key factor in maintaining the elasticity of the skin. We have developed a model for the interactions between keratin intermediate filaments based on self-consistent field theory. The intermediate filaments are represented by charged surfaces, and the disordered terminal domains of the keratins are represented by charged heteropolymers grafted to these surfaces. We estimate the system is close to a charge compensation point where the heteropolymer grafting density is matched to the surface charge density. Using a protein model with amino acid resolution for the terminal domains, we find that the terminal chains can mediate a weak attraction between the keratin surfaces. The origin of the attraction is a combination of bridging and electrostatics. The attraction disappears when the system moves away from the charge compensation point, or when excess small ions and/or NMF-representing free amino acids are added. These results are in concordance with experimental observations, and support the idea that the interaction between keratin filaments, and ultimately in part the elastic properties of the keratin-containing tissue, is controlled by a combination of the physico-chemical properties of the disordered terminal domains and the composition of the medium in the inter-filament region

Correction: MAXI J1543-564 in hard intermediate state

Science.gov (United States)

Kennea, J. A.; Motta, S.; Curran, P.; Krimm, P. A. Evans. H. A.; Romano, P.; Mangano, V.; Yamaoka, K.; Negoro, H.

2011-09-01

A correction to Kennea et al. (ATEL #3662): With a measured photon index of ~2.7, the Swift/XRT spectrum of MAXI J1543-564 is currently consistent with the source being in the hard intermediate state, or under the Remillard and McClintock (2006) definition, the steep power-law state. We apologize for this error, and thank Tomaso Belloni for bringing it to our attention.

Retention of intermediate polarization states in ferroelectric materials enabling memories for multi-bit data storage

Energy Technology Data Exchange (ETDEWEB)

Zhao, Dong; Asadi, Kamal; Blom, Paul W. M.; Leeuw, Dago M. de, E-mail: deleeuw@mpip-mainz.mpg.de [Max-Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Katsouras, Ilias [Holst Centre, High Tech Campus 31, 5656AE Eindhoven (Netherlands); Groen, Wilhelm A. [Holst Centre, High Tech Campus 31, 5656AE Eindhoven (Netherlands); Faculty of Aerospace Engineering, Delft University of Technology, Kluyverweg 1 2629 HS, Delft (Netherlands)

2016-06-06

A homogeneous ferroelectric single crystal exhibits only two remanent polarization states that are stable over time, whereas intermediate, or unsaturated, polarization states are thermodynamically instable. Commonly used ferroelectric materials however, are inhomogeneous polycrystalline thin films or ceramics. To investigate the stability of intermediate polarization states, formed upon incomplete, or partial, switching, we have systematically studied their retention in capacitors comprising two classic ferroelectric materials, viz. random copolymer of vinylidene fluoride with trifluoroethylene, P(VDF-TrFE), and Pb(Zr,Ti)O{sub 3}. Each experiment started from a discharged and electrically depolarized ferroelectric capacitor. Voltage pulses were applied to set the given polarization states. The retention was measured as a function of time at various temperatures. The intermediate polarization states are stable over time, up to the Curie temperature. We argue that the remarkable stability originates from the coexistence of effectively independent domains, with different values of polarization and coercive field. A domain growth model is derived quantitatively describing deterministic switching between the intermediate polarization states. We show that by using well-defined voltage pulses, the polarization can be set to any arbitrary value, allowing arithmetic programming. The feasibility of arithmetic programming along with the inherent stability of intermediate polarization states makes ferroelectric materials ideal candidates for multibit data storage.

Retention of intermediate polarization states in ferroelectric materials enabling memories for multi-bit data storage

Science.gov (United States)

Zhao, Dong; Katsouras, Ilias; Asadi, Kamal; Groen, Wilhelm A.; Blom, Paul W. M.; de Leeuw, Dago M.

2016-06-01

A homogeneous ferroelectric single crystal exhibits only two remanent polarization states that are stable over time, whereas intermediate, or unsaturated, polarization states are thermodynamically instable. Commonly used ferroelectric materials however, are inhomogeneous polycrystalline thin films or ceramics. To investigate the stability of intermediate polarization states, formed upon incomplete, or partial, switching, we have systematically studied their retention in capacitors comprising two classic ferroelectric materials, viz. random copolymer of vinylidene fluoride with trifluoroethylene, P(VDF-TrFE), and Pb(Zr,Ti)O3. Each experiment started from a discharged and electrically depolarized ferroelectric capacitor. Voltage pulses were applied to set the given polarization states. The retention was measured as a function of time at various temperatures. The intermediate polarization states are stable over time, up to the Curie temperature. We argue that the remarkable stability originates from the coexistence of effectively independent domains, with different values of polarization and coercive field. A domain growth model is derived quantitatively describing deterministic switching between the intermediate polarization states. We show that by using well-defined voltage pulses, the polarization can be set to any arbitrary value, allowing arithmetic programming. The feasibility of arithmetic programming along with the inherent stability of intermediate polarization states makes ferroelectric materials ideal candidates for multibit data storage.

AC susceptibility of thin Pb films in intermediate and mixed state

Energy Technology Data Exchange (ETDEWEB)

Janu, Zdenek, E-mail: janu@fzu.cz [Institute of Physics of the AS CR, v.v.i., Na Slovance 2, CZ-182 21 Prague 8 (Czech Republic); Svindrych, Zdenek [Institute of Physics of the AS CR, v.v.i., Na Slovance 2, CZ-182 21 Prague 8 (Czech Republic); Trunecek, Otakar [Charles University in Prague, Faculty of Mathematics and Physics, Ke Karlovu 3, CZ-121 16 Prague 2 (Czech Republic); Kus, Peter; Plecenik, Andrej [Komenius University in Bratislava, Faculty of Mathematics, Physics, and Informatics, Mlynska dolina, 842 48 Bratislava 4 (Slovakia)

2011-12-15

Thickness dependent transition in AC susceptibility between intermediate and mixed state in type-I superconducting films. The temperature induced crossover between reversible and irreversible behavior was observed in the thicker film. The temperature dependence of the AC susceptibility in mixed state follows prediction of model based on Bean critical state. The temperature dependence of the harmonics of the complex AC susceptibility in the intermediate state is explained. Thin films of type I superconductors of a thickness comparable or less than a flux penetration length behave like type II superconductors in a mixed state. With decreasing film thickness normal domains carrying a magnetic flux get smaller with smaller number of flux quanta per domain and finally transform into single quantum flux lines, i.e. quantum vortices similar to those found in type II superconductors. We give an evidence of this behavior from the measurements of the nonlinear response of a total magnetic moment to an applied AC magnetic field, directly from the temperature dependence of an AC susceptibility.

Reassessment of fission fragment angular distributions from continuum states in the context of transition-state theory

International Nuclear Information System (INIS)

Vaz, L.C.; Alexander, J.M.

1983-01-01

Fission angular distributions have been studied for years and have been treated as classic examples of transition-state theory. Early work involving composite nuclei of relatively low excitation energy Esup(*) ( 2 0 (K 2 0 = Psub(eff)T/(h/2π) 2 ) are presented along with comparissons of Psub(eff) to moments of inertia for saddle-point nuclei from the rotating liquid drop model. This model gives an excellent guide for the intermediate spin zone (30 < or approx. I < or approx. 65), while strong shell and/or pairing effects are evident for excitations less than < or approx. 35 MeV. Observations of strong anisotropies for very high-spin systems signal the demise of certain approximations commonly made in the theory, and suggestions are made toward this end. (orig.)

Search for intermediate vector bosons

International Nuclear Information System (INIS)

Cline, D.B.; Rubbia, C.; van der Meer, S.

1982-01-01

Over the past 15 years a new class of unified theories has been developed to describe the forces acting between elementary particles. The most successful of the new theories establishes a link between electromagnetism and the weak force. A crucial prediction of this unified electroweak theory is the existence of three massive particles called intermediate vector bosons. If these intermediate vector bosons exist and if they have properties attributed to them by electroweak theory, they should soon be detected, as the world's first particle accelerator with enough energy to create such particles has recently been completed at the European Organization for Nuclear Research (CERN) in Geneva. The accelerator has been converted to a colliding beam machine in which protons and antiprotons collide head on. According to electroweak theory, intermediate vector bosons can be created in proton-antiproton collisions. (SC)

Observation of an intermediate state in psi (3684) radiative cascade decay

International Nuclear Information System (INIS)

Tanenbaum, W.; Whitaker, J.S.; Abrams, G.S.; Boyarski, A.M.; Breidenbach, M.; Bulos, F.; Chinowsky, W.; Feldman, G.J.; Friedberg, C.E.; Fryberger, D.; Goldhaber, G.; Hanson, G.; Hartill, D.L.; Jean-Marie, B.; Kadyk, J.A.; Larsen, R.R.; Litke, A.M.; Luke, D.; Lulu, B.A.; Luth, V.; Lynch, H.L.; Morehouse, C.C.; Paterson, J.M.; Perl, M.L.; Pierre, F.M.; Pun, T.P.; Rapidis, P.; Richter, B.; Sadoulet, B.; Schwitters, R.F.; Trilling, G.H.; Vannucci, F.; Winkelmann, F.C.; Wiss, J.E.

1975-01-01

We present evidence for the existence of an intermediate state observed in the decay sequence psi(3684) → psi(3095)γγ. The mass of the state is either 3500+-10 or 3270+-10 MeV. The branching fraction of the sequence is (3.6+-0.7)%

AC susceptibility of thin Pb films in intermediate and mixed state

Czech Academy of Sciences Publication Activity Database

Janů, Zdeněk; Švindrych, Zdeněk; Truněček, O.; Kúš, P.; Plecenik, A.

2011-01-01

Roč. 471, 23-24 (2011), s. 1647-1650 ISSN 0921-4534 R&D Projects: GA MŠk(CZ) ME10069 Institutional research plan: CEZ:AV0Z10100520 Keywords : intermediate state * mixed state * AC susceptibility Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.014, year: 2011

An intermediate state of T7 RNA polymerase provides another pathway of nucleotide selection

International Nuclear Information System (INIS)

Wang Zhan-Feng; Liu Yu-Ru; Wang Peng-Ye; Xie Ping

2017-01-01

Phage T7 RNA polymerase is a single-subunit transcription enzyme, transcribing template DNA to RNA. Nucleoside triphosphate (NTP) selection and translocation are two critical steps of the transcription elongation. Here, using all-atom molecular dynamics simulations, we found that between pre- and post-translocation states of T7 RNA polymerase an intermediate state exists, where the O helix C-terminal residue tyrosine 639, which plays important roles in translocation, locates between its pre- and post-translocation positions and the side chain of the next template DNA nucleotide has moved into the active site. NTP selection in this intermediate state was studied, revealing that the selection in the intermediate state can be achieved relying on the effect of Watson–Crick interaction between NTP and template DNA nucleotide, effect of stability of the components near the active site such as the nascent DNA–RNA hybrid and role of tyrosine 639. This indicates that another NTP-selection pathway can also exist besides the main pathway where NTP selection begins at the post-translocation state upon the entry of NTP. (paper)

Fluorescence lifetime components reveal kinetic intermediate states upon equilibrium denaturation of carbonic anhydrase II.

Science.gov (United States)

Nemtseva, Elena V; Lashchuk, Olesya O; Gerasimova, Marina A; Melnik, Tatiana N; Nagibina, Galina S; Melnik, Bogdan S

2017-12-21

In most cases, intermediate states of multistage folding proteins are not 'visible' under equilibrium conditions but are revealed in kinetic experiments. Time-resolved fluorescence spectroscopy was used in equilibrium denaturation studies. The technique allows for detecting changes in the conformation and environment of tryptophan residues in different structural elements of carbonic anhydrase II which in its turn has made it possible to study the intermediate states of carbonic anhydrase II under equilibrium conditions. The results of equilibrium and kinetic experiments using wild-type bovine carbonic anhydrase II and its mutant form with the substitution of leucine for alanine at position 139 (L139A) were compared. The obtained lifetime components of intrinsic tryptophan fluorescence allowed for revealing that, the same as in kinetic experiments, under equilibrium conditions the unfolding of carbonic anhydrase II ensues through formation of intermediate states.

Far from the intermediate nuclear field

International Nuclear Information System (INIS)

Dietrich, K.; Wagner, G.J.; Gregoire, C.; Campi, X.; Silvestre-Brac, B.; Platchkov, S.; Mayer, B.; Abgrall, Y.; Bohigas, O.; Grange, P.; Signarbieux, C.

1988-01-01

Pairing correlations in nuclear physics; the BCS state and quasi-particles; the layer model; collision effects on nuclear dynamics; the theory of cluster formation (application to nucleus fragmentation); short range correlations (few-particle systems); deuterium electron scattering; dibaryonic resonances; traditional and exotic hadron probes of nuclear structure; spectral fluctuations and chaotic motion; corrections to the intermediate nuclear field (nonrelativistic and other effects); and heavy nuclei splitting and nuclear superfluidity are introduced [fr

Solid state theory

CERN Document Server

Harrison, Walter A

2011-01-01

""A well-written text . . . should find a wide readership, especially among graduate students."" - Dr. J. I. Pankove, RCA.The field of solid state theory, including crystallography, semi-conductor physics, and various applications in chemistry and electrical engineering, is highly relevant to many areas of modern science and industry. Professor Harrison's well-known text offers an excellent one-year graduate course in this active and important area of research. While presenting a broad overview of the fundamental concepts and methods of solid state physics, including the basic quantum theory o

Transient intermediates are populated in the folding pathways of single-domain two-state folding protein L

Science.gov (United States)

Maity, Hiranmay; Reddy, Govardhan

2018-04-01

Small single-domain globular proteins, which are believed to be dominantly two-state folders, played an important role in elucidating various aspects of the protein folding mechanism. However, recent single molecule fluorescence resonance energy transfer experiments [H. Y. Aviram et al. J. Chem. Phys. 148, 123303 (2018)] on a single-domain two-state folding protein L showed evidence for the population of an intermediate state and it was suggested that in this state, a β-hairpin present near the C-terminal of the native protein state is unfolded. We performed molecular dynamics simulations using a coarse-grained self-organized-polymer model with side chains to study the folding pathways of protein L. In agreement with the experiments, an intermediate is populated in the simulation folding pathways where the C-terminal β-hairpin detaches from the rest of the protein structure. The lifetime of this intermediate structure increased with the decrease in temperature. In low temperature conditions, we also observed a second intermediate state, which is globular with a significant fraction of the native-like tertiary contacts satisfying the features of a dry molten globule.

Mode coupling theory analysis of electrolyte solutions: Time dependent diffusion, intermediate scattering function, and ion solvation dynamics.

Science.gov (United States)

Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman

2015-03-28

A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair correlation functions is developed to analyze electrolyte dynamics. We apply the theory to calculate concentration dependence of (i) time dependent ion diffusion, (ii) intermediate scattering function of the constituent ions, and (iii) ion solvation dynamics in electrolyte solution. Brownian dynamics with implicit water molecules and molecular dynamics method with explicit water are used to check the theoretical predictions. The time dependence of ionic self-diffusion coefficient and the corresponding intermediate scattering function evaluated from our MCT approach show quantitative agreement with early experimental and present Brownian dynamic simulation results. With increasing concentration, the dispersion of electrolyte friction is found to occur at increasingly higher frequency, due to the faster relaxation of the ion atmosphere. The wave number dependence of intermediate scattering function, F(k, t), exhibits markedly different relaxation dynamics at different length scales. At small wave numbers, we find the emergence of a step-like relaxation, indicating the presence of both fast and slow time scales in the system. Such behavior allows an intriguing analogy with temperature dependent relaxation dynamics of supercooled liquids. We find that solvation dynamics of a tagged ion exhibits a power law decay at long times-the decay can also be fitted to a stretched exponential form. The emergence of the power law in solvation dynamics has been tested by carrying out long Brownian dynamics simulations with varying ionic concentrations. The solvation time correlation and ion-ion intermediate scattering function indeed exhibit highly interesting, non-trivial dynamical behavior at intermediate to longer times that require further experimental and theoretical studies.

Variational transition state theory

International Nuclear Information System (INIS)

Truhlar, D.G.

1986-01-01

This project is concerned with the development and applications of generalized transition state theory and multidimensional tunneling approximations to chemical reaction rates. They have developed and implemented several practical versions of variational transition state theory (VTST), namely canonical variational theory (CVT), improved canonical variational theory (ICVT), and microcanonical variational theory (μVT). They have also developed and implemented several accurate multidimensional semiclassical tunneling approximations, the most accurate of which are the small-curvature semiclassical adiabatic (SCSA), large-curvature version-3 (LC3), and least-action (LA) approximations. They have applied the methods to thermal rate constants, using transmission coefficients based on ground-state tunneling, and they have also presented and applied adiabatic and diabatic extensions to calculated rate constants for vibrationally excited reactants. Their general goal is to develop accurate methods for calculating chemical reaction rate constants that remain practical even for reasonably complicated molecules. The approximations mentioned above yield rate constants for systems whose potential energy surface is known or assumed. Thus a second, equally important aspect of their work is the determination or modeling, semi-empirically and/or from electronic structure calculations, of potential energy surfaces

Exploring the chemical kinetics of partially oxidized intermediates by combining experiments, theory, and kinetic modeling.

Science.gov (United States)

Hoyermann, Karlheinz; Mauß, Fabian; Olzmann, Matthias; Welz, Oliver; Zeuch, Thomas

2017-07-19

Partially oxidized intermediates play a central role in combustion and atmospheric chemistry. In this perspective, we focus on the chemical kinetics of alkoxy radicals, peroxy radicals, and Criegee intermediates, which are key species in both combustion and atmospheric environments. These reactive intermediates feature a broad spectrum of chemical diversity. Their reactivity is central to our understanding of how volatile organic compounds are degraded in the atmosphere and converted into secondary organic aerosol. Moreover, they sensitively determine ignition timing in internal combustion engines. The intention of this perspective article is to provide the reader with information about the general mechanisms of reactions initiated by addition of atomic and molecular oxygen to alkyl radicals and ozone to alkenes. We will focus on critical branching points in the subsequent reaction mechanisms and discuss them from a consistent point of view. As a first example of our integrated approach, we will show how experiment, theory, and kinetic modeling have been successfully combined in the first infrared detection of Criegee intermediates during the gas phase ozonolysis. As a second example, we will examine the ignition timing of n-heptane/air mixtures at low and intermediate temperatures. Here, we present a reduced, fuel size independent kinetic model of the complex chemistry initiated by peroxy radicals that has been successfully applied to simulate standard n-heptane combustion experiments.

Isobaric intermediate states in proton-nucleus elastic scattering

International Nuclear Information System (INIS)

Auger, J.P.; Lazard, C.; Lombard, R.J.

1981-05-01

The effects of the propagation of isobaric nucleon states in the intermediate steps of the multiple scattering have been studied with application on the proton- 4 He elastic scattering at 1 GeV. The calculations are performed in the Glauber model and results are given for the differential cross section, the polarization and the spin rotation parameter. In our conclusions we stress the large cancellations observed between terms of various orders and the great sensitivity of the effects to the nucleon-nucleon amplitudes

Saudi Intermediate School EFL Teachers' Views in the Kingdom of Saudi Arabia of the Multiple Intelligences Theory as an Inclusive Pedagogy

Science.gov (United States)

Kentab, Mohammad Yousef

2016-01-01

In this study, the researcher attempted to shed light on Saudi intermediate school EFL teachers' views of the multiple intelligences theory as an inclusive pedagogy. The purpose of this study was to investigate the impact of multiple intelligences on Saudi intermediate students' learning of EFL. The study also tried to illustrate the main…

V-T theory for the self-intermediate scattering function in a monatomic liquid.

Science.gov (United States)

Wallace, Duane C; Chisolm, Eric D; De Lorenzi-Venneri, Giulia

2017-02-08

In V-T theory the atomic motion is harmonic vibrations in a liquid-specific potential energy valley, plus transits, which move the system rapidly among the multitude of such valleys. In its first application to the self intermediate scattering function (SISF), V-T theory produced an accurate account of molecular dynamics (MD) data at all wave numbers q and time t. Recently, analysis of the mean square displacement (MSD) resolved a crossover behavior that was not observed in the SISF study. Our purpose here is to apply the more accurate MSD calibration to the SISF, and assess the results. We derive and discuss the theoretical equations for vibrational and transit contributions to the SISF. The time evolution is divided into three successive intervals: the vibrational interval when the vibrational contribution alone accurately accounts for the MD data; the crossover when the vibrational contribution saturates and the transit contribution becomes resolved; and the diffusive interval when the transit contribution alone accurately accounts for the MD data. The resulting theoretical error is extremely small at all q and t. V-T theory is compared to mode-coupling theories for the MSD and SISF, and to recent developments in Brownian motion experiments and theory.

V-T theory for the self-intermediate scattering function in a monatomic liquid

International Nuclear Information System (INIS)

Wallace, Duane C; Chisolm, Eric D; De Lorenzi-Venneri, Giulia

2017-01-01

In V-T theory the atomic motion is harmonic vibrations in a liquid-specific potential energy valley, plus transits, which move the system rapidly among the multitude of such valleys. In its first application to the self intermediate scattering function (SISF), V-T theory produced an accurate account of molecular dynamics (MD) data at all wave numbers q and time t . Recently, analysis of the mean square displacement (MSD) resolved a crossover behavior that was not observed in the SISF study. Our purpose here is to apply the more accurate MSD calibration to the SISF, and assess the results. We derive and discuss the theoretical equations for vibrational and transit contributions to the SISF. The time evolution is divided into three successive intervals: the vibrational interval when the vibrational contribution alone accurately accounts for the MD data; the crossover when the vibrational contribution saturates and the transit contribution becomes resolved; and the diffusive interval when the transit contribution alone accurately accounts for the MD data. The resulting theoretical error is extremely small at all q and t . V-T theory is compared to mode-coupling theories for the MSD and SISF, and to recent developments in Brownian motion experiments and theory. (paper)

Intermediality: Bridge to Critical Media Literacy.

Science.gov (United States)

Pailliotet, Ann Watts; Semali, Ladislaus; Rodenberg, Rita K.; Giles, Jackie K.; Macaul, Sherry L.

2000-01-01

Defines "intermediality" as the ability to critically read and write with and across varied symbol systems. Relates it to critical media literacy. Offers rationales for teaching critical media literacy in general, and intermedial instruction in particular. Identifies seven guiding intermedial elements: theory, texts, processes, contexts,…

Intermediate Nucleation State of GaN Growth

Science.gov (United States)

Zheng, L. X.; Xie, M. H.; Tong, S. Y.

2001-03-01

Homoexpitaxial nucleation of GaN during molecular-beam epitaxy is followed by scanning tunneling microcopy (STM). We observe a metastable nucleation state, which manifests as “ghost” islands in STM images. These “ghost” islands can be irreversibly driven into normal islands by continuous STM imaging. It is further established that the “ghost” island formation is related to the presence of excess Ga atoms on the surface: Normal islands are only seen under the N-rich or stoichiometric flux condition, whereas “ghost” islands are observed under Ga-rich conditions. For intermediate excess-Ga coverages, both normal and “ghost” islands are present, however, they show distinctly different sizes, suggesting different nucleation states for the two. A growth model is proposed to account for the formation of metastable, “ghost” islands. Kinetic Monte Carlo simulation is carried out and main features of the surface are reproduced. We acknowledge financial support from HK RGC under grant Nos. 7396/00P, 7142/99P, and 7121/00P.

On the structure of intermediate state created by the direct current

International Nuclear Information System (INIS)

Kan, Ya.S.; Frolov, V.A.

1974-01-01

Observations were made of the structure of an intermediate state formed at the destruction of superconductivity of a cylindrical tin sample by an electric current through it. For this purpose, there was determined the nature of the dependence of the magnetic permeability averaged over a section normal with the sample axis on the position of this section relative to the axis. the quantity actually measured was the inductance of a short (0.5 mm) superconductive probe coil embracing the sample and moving along the axis of the latter. In order the inductance were representatative of the magnetic permeability in the depth of a thick (5 mm in diameter) sample, measurements were made with a direct current by means of the device specially designed for this purpose; the operating principle and method for checking of this device being briefly described in the paper. The curves of oscillations of the inductance of the probe with the latter being moved along the sample suggested a conclusion that the structure of the intermediate state had a periodic nature (of the London type) with a period of 1.3 mm. The reduction of the oscillation amplitude and the increase of their average level while an increase of the current passing through the sample above the critical value (at constant temperature) indicated the reduction of the diameter of the core, being in the intermediate state, and an increase of the thickness of a normal layer. Measurements were made at temperatures (13-17)x10 -3 deg K below Tsub(k) with a current of 2-3 A in the sample

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

Science.gov (United States)

Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

2015-08-11

The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

Regular perturbation theory for two-electron atoms

International Nuclear Information System (INIS)

Feranchuk, I.D.; Triguk, V.V.

2011-01-01

Regular perturbation theory (RPT) for the ground and excited states of two-electron atoms or ions is developed. It is shown for the first time that summation of the matrix elements from the electron-electron interaction operator over all intermediate states can be calculated in a closed form by means of the two-particle Coulomb Green's function constructed in the Letter. It is shown that the second order approximation of RPT includes the main part of the correlation energy both for the ground and excited states. This approach can be also useful for description of two-electron atoms in external fields. -- Highlights: → We develop regular perturbation theory for the two-electron atoms or ions. → We calculate the sum of the matrix elements over all intermediate states. → We construct the two-particle Coulomb Green's function.

1/4 BPS States and Non-Perturbative Couplings in N=4 String Theories

CERN Document Server

Lerche, W.

1999-01-01

We compute certain 2K+4-point one-loop couplings in the type IIA string compactified on K3 x T^2, which are related a topological index on this manifold. Their special feature is that they are sensitive to only short and intermediate BPS multiplets. The couplings derive from underlying prepotentials of the form G(T,U)=d^{2K}V ln[chi10(T,U,V)], where chi10(T,U,V) is the helicity partition function of 1/4 BPS states. In the dual heterotic string on T^6, the amplitudes describe non-perturbative gravitational corrections due to bound states of fivebrane instantons with heterotic world-sheet instantons. We argue, as a consequence, that our results give information about instanton configurations in six dimensional Sp(2k) gauge theories on T^6.

On the Generation of Intermediate Number Squeezed State of the Quantized Radiation Field

Science.gov (United States)

Baseia, B.; de Lima, A. F.; Bagnato, V. S.

Recently, a new state of the quantized radiation field — the intermediate number squeezed state (INSS) — has been introduced in the literature: it interpolates between the number state |n> and the squeezed state |z, α>=Ŝ(z)|α>, and exhibits interesting nonclassical properties as antibunching, sub-Poissonian statistics and squeezing. Here we introduce a slight modification in the previous definition allowing us a proposal to generate the INSS. Nonclassical properties using a new set of parameters are also studied.

Freeze-quench (57)Fe-Mössbauer spectroscopy: trapping reactive intermediates.

Science.gov (United States)

Krebs, Carsten; Bollinger, J Martin

2009-01-01

(57)Fe-Mössbauer spectroscopy is a method that probes transitions between the nuclear ground state (I=1/2) and the first nuclear excited state (I=3/2). This technique provides detailed information about the chemical environment and electronic structure of iron. Therefore, it has played an important role in studies of the numerous iron-containing proteins and enzymes. In conjunction with the freeze-quench method, (57)Fe-Mössbauer spectroscopy allows for monitoring changes of the iron site(s) during a biochemical reaction. This approach is particularly powerful for detection and characterization of reactive intermediates. Comparison of experimentally determined Mössbauer parameters to those predicted by density functional theory for hypothetical model structures can then provide detailed insight into the structures of reactive intermediates. We have recently used this methodology to study the reactions of various mononuclear non-heme-iron enzymes by trapping and characterizing several Fe(IV)-oxo reaction intermediates. In this article, we summarize these findings and demonstrate the potential of the method. © Springer Science+Business Media B.V. 2009

The structure of nuclear states at low, intermediate and high excitation energies

International Nuclear Information System (INIS)

Soloviev, V.G.

1976-01-01

It is shown that within the model based on the quasiparticle-phonon interaction one can obtain the description of few-quasiparticle components of nuclear states at low, intermediate and high excitation energies. For the low-lying states the energy of each level is calculated. The few-quasiparticle components at intermediate and high excitation energies are represented to be averaged in certain energy intervals and their characteri stics are given as the corresponding strength functions. The fragmentation of single-particle states in deformed nuclei is studied. It is shown that in the distribution of the single-particle strength alongside with a large maximum there appear local maxima and the distribution itself has a long tail. The dependence of neutron strength functions on the excitation energy is investigated for the transfer reaction of the type (d,p) and (d,t). The s,- p,- and d-wave neutron strength functions are calculated at the neutron binding energy Bn. A satisfactory agreement with experiment is obtained. The energies and Elambda-strength functions for giant multipole resonances in deformed nuclei are calculated. The energies of giant quadrupole and octupole resonances are calculated. Their widths and fine structure are being studied. It is stated that to study the structure of highly excited states it is necessary to find the values of many-quasiparticle components of the wave functions. The ways of experimental determination of these components based on the study of γ-transitions between highly excited states are discussed

Intermediate accelerated solutions as generic late-time attractors in a modified Jordan-Brans-Dicke theory

Energy Technology Data Exchange (ETDEWEB)

Cid, Antonella [Grupo de Cosmología y Gravitación GCG-UBB and Departamento de Física, Universidad del Bío-Bío, Casilla 5-C, Concepción (Chile); Leon, Genly [Instituto de Física, Pontificia Universidad Católica de Valparaíso, Casilla 4950, Valparaíso (Chile); Leyva, Yoelsy, E-mail: acidm@ubiobio.cl, E-mail: genly.leon@ucv.cl, E-mail: yoelsy.leyva@uta.cl [Departamento de Física, Facultad de Ciencias, Universidad de Tarapacá, Casilla 7-D, Arica (Chile)

2016-02-01

In this paper we investigate the evolution of a Jordan-Brans-Dicke scalar field, Φ, with a power-law potential in the presence of a second scalar field, φ, with an exponential potential, in both the Jordan and the Einstein frames. We present the relation of our model with the induced gravity model with power-law potential and the integrability of this kind of models is discussed when the quintessence field φ is massless, and has a small velocity. The fact that for some fine-tuned values of the parameters we may get some integrable cosmological models, makes our choice of potentials very interesting. We prove that in Jordan-Brans-Dicke theory, the de Sitter solution is not a natural attractor. Instead, we show that the attractor in the Jordan frame corresponds to an ''intermediate accelerated'' solution of the form a(t) ≅ e{sup α{sub 1} t{sup p{sup {sub 1}}}}, as t → ∞ where α{sub 1} > 0 and 0 < p{sub 1} < 1, for a wide range of parameters. Furthermore, when we work in the Einstein frame we get that the attractor is also an ''intermediate accelerated'' solution of the form a(t) ≅ e{sup α{sub 2} tp{sub 2}} as t → ∞ where α{sub 2} > 0 and 0intermediate solutions are of saddle type. These results were proved using the center manifold theorem, which is not based on linear approximation. Finally, we present a specific elaboration of our extension of the induced gravity model in the Jordan frame, which corresponds to a particular choice of a linear potential of Φ. The dynamical system is then reduced to a two dimensional one, and the late-time attractor is linked with the exact solution found for the induced gravity model. In this example the ''intermediate accelerated

Intermediate accelerated solutions as generic late-time attractors in a modified Jordan-Brans-Dicke theory

International Nuclear Information System (INIS)

Cid, Antonella; Leon, Genly; Leyva, Yoelsy

2016-01-01

In this paper we investigate the evolution of a Jordan-Brans-Dicke scalar field, Φ, with a power-law potential in the presence of a second scalar field, φ, with an exponential potential, in both the Jordan and the Einstein frames. We present the relation of our model with the induced gravity model with power-law potential and the integrability of this kind of models is discussed when the quintessence field φ is massless, and has a small velocity. The fact that for some fine-tuned values of the parameters we may get some integrable cosmological models, makes our choice of potentials very interesting. We prove that in Jordan-Brans-Dicke theory, the de Sitter solution is not a natural attractor. Instead, we show that the attractor in the Jordan frame corresponds to an ''intermediate accelerated'' solution of the form a(t) ≅ e α 1  t p 1 , as t → ∞ where α 1  > 0 and 0 < p 1  < 1, for a wide range of parameters. Furthermore, when we work in the Einstein frame we get that the attractor is also an ''intermediate accelerated'' solution of the form a(t) ≅ e α 2  tp 2 as t → ∞ where α 2  > 0 and 0

intermediate solutions are of saddle type. These results were proved using the center manifold theorem, which is not based on linear approximation. Finally, we present a specific elaboration of our extension of the induced gravity model in the Jordan frame, which corresponds to a particular choice of a linear potential of Φ. The dynamical system is then reduced to a two dimensional one, and the late-time attractor is linked with the exact solution found for the induced gravity model. In this example the ''intermediate accelerated'' solution does not exist, and the attractor

Intermediate spectral theory and quantum dynamics

CERN Document Server

de Oliveira, Cesar R

2008-01-01

The spectral theory of linear operators plays a key role in the mathematical formulation of quantum theory. Furthermore, such a rigorous mathematical foundation leads to a more profound insight into the nature of quantum mechanics. This textbook provides a concise and comprehensible introduction to the spectral theory of (unbounded) self-adjoint operators and its application in quantum dynamics. The book places emphasis on the symbiotic relationship of these two domains by (1) presenting the basic mathematics of nonrelativistic quantum mechanics of one particle, i.e., developing the spectral theory of self-adjoint operators in infinite-dimensional Hilbert spaces from the beginning, and (2) giving an overview of many of the basic functional aspects of quantum theory, from its physical principles to the mathematical models. The book is intended for graduate (or advanced undergraduate) students and researchers interested in mathematical physics. It starts with linear operator theory, spectral questions and self-...

Formation, structure, and stability of MHD intermediate shocks

International Nuclear Information System (INIS)

Wu, C.C.

1990-01-01

Contrary to the usual belief that MHD intermediate shocks are extraneous, the author has recently shown by numerical solutions of dissipative MHD equations that intermediate shocks are admissible and can be formed through nonlinear wave steepening from continuous waves. In this paper, the formation, structure and stability of intermediate shocks in dissipative MHD are considered in detail. The differences between the conventional theory and his are pointed out and clarified. He shows that all four types of intermediate shocks can be formed from smooth waves. He also shows that there are free parameters in the structure of the intermediate shocks, and that these parameters are related to the shock stability. In addition, he shows that a rotational discontinuity can not exist with finite width, indicate how this is related to the existence of time-dependent intermediate shocks, and show why the conventional theory is not a good approximation to dissipative MHD solutions whenever there is rotation in magnetic field

Intermediate state trapping of a voltage sensor

DEFF Research Database (Denmark)

Lacroix, Jérôme J; Pless, Stephan Alexander; Maragliano, Luca

2012-01-01

Voltage sensor domains (VSDs) regulate ion channels and enzymes by undergoing conformational changes depending on membrane electrical signals. The molecular mechanisms underlying the VSD transitions are not fully understood. Here, we show that some mutations of I241 in the S1 segment of the Shaker...... Kv channel positively shift the voltage dependence of the VSD movement and alter the functional coupling between VSD and pore domains. Among the I241 mutants, I241W immobilized the VSD movement during activation and deactivation, approximately halfway between the resting and active states......, and drastically shifted the voltage activation of the ionic conductance. This phenotype, which is consistent with a stabilization of an intermediate VSD conformation by the I241W mutation, was diminished by the charge-conserving R2K mutation but not by the charge-neutralizing R2Q mutation. Interestingly, most...

Hydrogen-bonded intermediates and transition states during spontaneous and acid-catalyzed hydrolysis of the carcinogen (+)-anti-BPDE.

Science.gov (United States)

Palenik, Mark C; Rodriguez, Jorge H

2014-07-07

Understanding mechanisms of (+)-anti-BPDE detoxification is crucial for combating its mutagenic and potent carcinogenic action. However, energetic-structural correlations of reaction intermediates and transition states during detoxification via hydrolysis are poorly understood. To gain mechanistic insight we have computationally characterized intermediate and transition species associated with spontaneous and general-acid catalyzed hydrolysis of (+)-anti-BPDE. We studied the role of cacodylic acid as a proton donor in the rate limiting step. The computed activation energy (ΔG‡) is in agreement with the experimental value for hydrolysis in a sodium cacodylate buffer. Both types of, spontaneous and acid catalyzed, BPDE hydrolysis can proceed through low-entropy hydrogen bonded intermediates prior to formation of transition states whose energies determine reaction activation barriers and rates.

Series expansions of the density of states in SU(2) lattice gauge theory

International Nuclear Information System (INIS)

Denbleyker, A.; Du, Daping; Liu, Yuzhi; Meurice, Y.; Velytsky, A.

2008-01-01

We calculate numerically the density of states n(S) for SU(2) lattice gauge theory on L 4 lattices [S is the Wilson's action and n(S) measures the relative number of ways S can be obtained]. Small volume dependences are resolved for small values of S. We compare ln(n(S)) with weak and strong coupling expansions. Intermediate order expansions show a good overlap for values of S corresponding to the crossover. We relate the convergence of these expansions to those of the average plaquette. We show that, when known logarithmic singularities are subtracted from ln(n(S)), expansions in Legendre polynomials appear to converge and could be suitable to determine the Fisher's zeros of the partition function.

Cyclic Markov chains with an application to an intermediate ENSO model

Directory of Open Access Journals (Sweden)

R. A. Pasmanter

2003-01-01

Full Text Available We develop the theory of cyclic Markov chains and apply it to the El Niño-Southern Oscillation (ENSO predictability problem. At the core of Markov chain modelling is a partition of the state space such that the transition rates between different state space cells can be computed and used most efficiently. We apply a partition technique, which divides the state space into multidimensional cells containing an equal number of data points. This partition leads to mathematical properties of the transition matrices which can be exploited further such as to establish connections with the dynamical theory of unstable periodic orbits. We introduce the concept of most and least predictable states. The data basis of our analysis consists of a multicentury-long data set obtained from an intermediate coupled atmosphere-ocean model of the tropical Pacific. This cyclostationary Markov chain approach captures the spring barrier in ENSO predictability and gives insight also into the dependence of ENSO predictability on the climatic state.

Theory of two-step two-proton decays of nuclei

International Nuclear Information System (INIS)

Kadmensky, S. G.; Ivankov, Yu. V.

2014-01-01

A general theory of many-body diagonal and nondiagonal one-proton decays of spherical and deformed nuclei is developed on the basis of an approach not employing R-matrix theory in describing deep-subbarrier alpha and one-proton decays of nuclei but relying on integral formulas for the widths with respect to these decays. With the aid of this theory and by means of a diagram technique, a formalism is developed for describing two-step two-proton decays of a (Z, A) parent nucleus, which proceed as two successive time-separated one-proton decays of the parent and intermediate [(Z − 1, A − 1)] nuclei, these decays being related by the Green’s function for the intermediate nucleus, G(Z − 1, A − 1). It is shown that, upon taking into account, in this Green’s function, intermediate-nucleus states that are on- and off-shell states for the decaying system, there arise, respectively, sequential and virtual two-proton decays of parent nuclei. Expressions for the widths with respect to sequential and virtual two-proton decays from the ground and excited states of spherical and deformed nuclei and for the angular and energy distributions of emitted protons are obtained

Information Theoretic Characterization of Physical Theories with Projective State Space

Science.gov (United States)

Zaopo, Marco

2015-08-01

Probabilistic theories are a natural framework to investigate the foundations of quantum theory and possible alternative or deeper theories. In a generic probabilistic theory, states of a physical system are represented as vectors of outcomes probabilities and state spaces are convex cones. In this picture the physics of a given theory is related to the geometric shape of the cone of states. In quantum theory, for instance, the shape of the cone of states corresponds to a projective space over complex numbers. In this paper we investigate geometric constraints on the state space of a generic theory imposed by the following information theoretic requirements: every non completely mixed state of a system is perfectly distinguishable from some other state in a single shot measurement; information capacity of physical systems is conserved under making mixtures of states. These assumptions guarantee that a generic physical system satisfies a natural principle asserting that the more a state of the system is mixed the less information can be stored in the system using that state as logical value. We show that all theories satisfying the above assumptions are such that the shape of their cones of states is that of a projective space over a generic field of numbers. Remarkably, these theories constitute generalizations of quantum theory where superposition principle holds with coefficients pertaining to a generic field of numbers in place of complex numbers. If the field of numbers is trivial and contains only one element we obtain classical theory. This result tells that superposition principle is quite common among probabilistic theories while its absence gives evidence of either classical theory or an implausible theory.

Intermediate structure and threshold phenomena

International Nuclear Information System (INIS)

Hategan, Cornel

2004-01-01

The Intermediate Structure, evidenced through microstructures of the neutron strength function, is reflected in open reaction channels as fluctuations in excitation function of nuclear threshold effects. The intermediate state supporting both neutron strength function and nuclear threshold effect is a micro-giant neutron threshold state. (author)

Photofragment imaging study of the CH2CCH2OH radical intermediate of the OH+allene reaction

International Nuclear Information System (INIS)

Raman, Arjun S.; Justine Bell, M.; Lau, K.-C.; Butler, Laurie J.

2007-01-01

These velocity map imaging experiments characterize the photolytic generation of one of the two radical intermediates formed when OH reacts via an addition mechanism with allene. The CH 2 CCH 2 OH radical intermediate is generated photolytically from the photodissociation of 2-chloro-2-propen-1-ol at 193 nm. Detecting the Cl atoms using [2+1] resonance-enhanced multiphoton ionization evidences an isotropic angular distribution for the Cl+CH 2 CCH 2 OH photofragments, a spin-orbit branching ratio for Cl( 2 P 1/2 ):Cl( 2 P 3/2 ) of 0.28, and a bimodal recoil kinetic energy distribution. Conservation of momentum and energy allows us to determine from this data the internal energy distribution of the nascent CH 2 CCH 2 OH radical cofragment. To assess the possible subsequent decomposition pathways of this highly vibrationally excited radical intermediate, we include electronic structure calculations at the G3//B3LYP level of theory. They predict the isomerization and dissociation transition states en route from the initial CH 2 CCH 2 OH radical intermediate to the three most important product channels for the OH+allene reaction expected from this radical intermediate: formaldehyde+C 2 H 3 , H+acrolein, and ethene+CHO. We also calculate the intermediates and transition states en route from the other radical adduct, formed by addition of the OH to the center carbon of allene, to the ketene+CH 3 product channel. We compare our results to a previous theoretical study of the O+allyl reaction conducted at the CBS-QB3 level of theory, as the two reactions include several common intermediates

Photofragment imaging study of the CH2CCH2OH radical intermediate of the OH +allene reaction

Science.gov (United States)

Raman, Arjun S.; Justine Bell, M.; Lau, Kai-Chung; Butler, Laurie J.

2007-10-01

These velocity map imaging experiments characterize the photolytic generation of one of the two radical intermediates formed when OH reacts via an addition mechanism with allene. The CH2CCH2OH radical intermediate is generated photolytically from the photodissociation of 2-chloro-2-propen-1-ol at 193nm. Detecting the Cl atoms using [2+1] resonance-enhanced multiphoton ionization evidences an isotropic angular distribution for the Cl +CH2CCH2OH photofragments, a spin-orbit branching ratio for Cl(P1/22):Cl(P3/22) of 0.28, and a bimodal recoil kinetic energy distribution. Conservation of momentum and energy allows us to determine from this data the internal energy distribution of the nascent CH2CCH2OH radical cofragment. To assess the possible subsequent decomposition pathways of this highly vibrationally excited radical intermediate, we include electronic structure calculations at the G3//B3LYP level of theory. They predict the isomerization and dissociation transition states en route from the initial CH2CCH2OH radical intermediate to the three most important product channels for the OH +allene reaction expected from this radical intermediate: formaldehyde+C2H3, H +acrolein, and ethene+CHO. We also calculate the intermediates and transition states en route from the other radical adduct, formed by addition of the OH to the center carbon of allene, to the ketene+CH3 product channel. We compare our results to a previous theoretical study of the O +allyl reaction conducted at the CBS-QB3 level of theory, as the two reactions include several common intermediates.

State-selective charge transfer and excitation in ion-ion interactions at intermediate and high energies

International Nuclear Information System (INIS)

Samanta, R; Purkait, M

2012-01-01

Boundary Corrected Continuum Intermediate State (BCCIS) approximation and Classical Trajectory Monte Carlo (CTMC) methods are applied to calculate the charge transfer and excitation cross sections for ion-ion collisions.

On negative norm states in supersymmetric theories

International Nuclear Information System (INIS)

Ellwanger, U.

1983-01-01

We study the effective kinetic energy of scalar fields for two classes of supersymmetric theories. In theories with very large VEVs of scalar fields, as proposed by Witten, the use of the renormalization group improved effective action prevents the appearance of negative norm states. For simpler theories a general criterium for the absence of negative norm states is given, which is violated in a model with O(N)-symmetry proposed recently. (orig.)

The impact of intermediate wet states on two-phase flow in porous media, studied by network modelling

Energy Technology Data Exchange (ETDEWEB)

Hoeiland, Linda Kaada

2006-04-15

Reservoir wettability is a measure of a rocks preference for the oil and/or the brine phase. Wettability has a dominant impact on fluid movements in porous media, hence oil displacement in reservoir rocks. Understanding the local wettability and the effect of wettability on the fluid movements are therefore of interest in relation to oil recovery processes. Contrary to the earlier believed homogenous wetted cases where the porous media was strongly oil-wet for carbonate reservoirs or strongly water-wet for clastic reservoirs, it is now believed that most reservoir rocks experience some kind of intermediate wet state. Since wettability affects oil recovery, different classes of intermediate wettability are expected to have different impacts on the fluid flow processes. The major subject treated in this thesis is how different intermediate wet states affect fluid flow parameters which are important for the oil recovery. This is done by use of a capillary dominated network model of two-phase flow, where the network is based on a model of reconstructed sandstone. The existence of different intermediate wet classes is argued in Paper I, while Paper II, III and IV analyse the effect different intermediate wet classes have on wettability indices, residual oil saturation, capillary pressure and relative permeability (author)

Dual process theory and intermediate effect: are faculty and residents' performance on multiple-choice, licensing exam questions different?

Science.gov (United States)

Dong, Ting; Durning, Steven J; Artino, Anthony R; van der Vleuten, Cees; Holmboe, Eric; Lipner, Rebecca; Schuwirth, Lambert

2015-04-01

Clinical reasoning is essential for the practice of medicine. Dual process theory conceptualizes reasoning as falling into two general categories: nonanalytic reasoning (pattern recognition) and analytic reasoning (active comparing and contrasting of alternatives). The debate continues regarding how expert performance develops and how individuals make the best use of analytic and nonanalytic processes. Several investigators have identified the unexpected finding that intermediates tend to perform better on licensing examination items than experts, which has been termed the "intermediate effect." We explored differences between faculty and residents on multiple-choice questions (MCQs) using dual process measures (both reading and answering times) to inform this ongoing debate. Faculty (board-certified internists; experts) and residents (internal medicine interns; intermediates) answered live licensing examination MCQs (U.S. Medical Licensing Examination Step 2 Clinical Knowledge and American Board of Internal Medicine Certifying Examination) while being timed. We conducted repeated analysis of variance to compare the 2 groups on average reading time, answering time, and accuracy on various types of items. Faculty and residents did not differ significantly in reading time [F (1,35) = 0.01, p = 0.93], answering time [F (1,35) = 0.60, p = 0.44], or accuracy [F (1,35) = 0.24, p = 0.63] regardless of easy or hard items. Dual process theory was not evidenced in this study. However, this lack of difference between faculty and residents may have been affected by the small sample size of participants and MCQs may not reflect how physicians made decisions in actual practice setting. Reprint & Copyright © 2015 Association of Military Surgeons of the U.S.

The Intermediate Neutrino Program

CERN Document Server

Adams, C.; Ankowski, A.M.; Asaadi, J.A.; Ashenfelter, J.; Axani, S.N.; Babu, K.; Backhouse, C.; Band, H.R.; Barbeau, P.S.; Barros, N.; Bernstein, A.; Betancourt, M.; Bishai, M.; Blucher, E.; Bouffard, J.; Bowden, N.; Brice, S.; Bryan, C.; Camilleri, L.; Cao, J.; Carlson, J.; Carr, R.E.; Chatterjee, A.; Chen, M.; Chen, S.; Chiu, M.; Church, E.D.; Collar, J.I.; Collin, G.; Conrad, J.M.; Convery, M.R.; Cooper, R.L.; Cowen, D.; Davoudiasl, H.; de Gouvea, A.; Dean, D.J.; Deichert, G.; Descamps, F.; DeYoung, T.; Diwan, M.V.; Djurcic, Z.; Dolinski, M.J.; Dolph, J.; Donnelly, B.; Dwyer, D.A.; Dytman, S.; Efremenko, Y.; Everett, L.L.; Fava, A.; Figueroa-Feliciano, E.; Fleming, B.; Friedland, A.; Fujikawa, B.K.; Gaisser, T.K.; Galeazzi, M.; Galehouse, D.C.; Galindo-Uribarri, A.; Garvey, G.T.; Gautam, S.; Gilje, K.E.; Gonzalez-Garcia, M.; Goodman, M.C.; Gordon, H.; Gramellini, E.; Green, M.P.; Guglielmi, A.; Hackenburg, R.W.; Hackenburg, A.; Halzen, F.; Han, K.; Hans, S.; Harris, D.; Heeger, K.M.; Herman, M.; Hill, R.; Holin, A.; Huber, P.; Jaffe, D.E.; Johnson, R.A.; Joshi, J.; Karagiorgi, G.; Kaufman, L.J.; Kayser, B.; Kettell, S.H.; Kirby, B.J.; Klein, J.R.; Kolomensky, Yu. G.; Kriske, R.M.; Lane, C.E.; Langford, T.J.; Lankford, A.; Lau, K.; Learned, J.G.; Ling, J.; Link, J.M.; Lissauer, D.; Littenberg, L.; Littlejohn, B.R.; Lockwitz, S.; Lokajicek, M.; Louis, W.C.; Luk, K.; Lykken, J.; Marciano, W.J.; Maricic, J.; Markoff, D.M.; Martinez Caicedo, D.A.; Mauger, C.; Mavrokoridis, K.; McCluskey, E.; McKeen, D.; McKeown, R.; Mills, G.; Mocioiu, I.; Monreal, B.; Mooney, M.R.; Morfin, J.G.; Mumm, P.; Napolitano, J.; Neilson, R.; Nelson, J.K.; Nessi, M.; Norcini, D.; Nova, F.; Nygren, D.R.; Orebi Gann, G.D.; Palamara, O.; Parsa, Z.; Patterson, R.; Paul, P.; Pocar, A.; Qian, X.; Raaf, J.L.; Rameika, R.; Ranucci, G.; Ray, H.; Reyna, D.; Rich, G.C.; Rodrigues, P.; Romero, E.Romero; Rosero, R.; Rountree, S.D.; Rybolt, B.; Sanchez, M.C.; Santucci, G.; Schmitz, D.; Scholberg, K.; Seckel, D.; Shaevitz, M.; Shrock, R.; Smy, M.B.; Soderberg, M.; Sonzogni, A.; Sousa, A.B.; Spitz, J.; St. John, J.M.; Stewart, J.; Strait, J.B.; Sullivan, G.; Svoboda, R.; Szelc, A.M.; Tayloe, R.; Thomson, M.A.; Toups, M.; Vacheret, A.; Vagins, M.; Van de Water, R.G.; Vogelaar, R.B.; Weber, M.; Weng, W.; Wetstein, M.; White, C.; White, B.R.; Whitehead, L.; Whittington, D.W.; Wilking, M.J.; Wilson, R.J.; Wilson, P.; Winklehner, D.; Winn, D.R.; Worcester, E.; Yang, L.; Yeh, M.; Yokley, Z.W.; Yoo, J.; Yu, B.; Yu, J.; Zhang, C.

2015-01-01

The US neutrino community gathered at the Workshop on the Intermediate Neutrino Program (WINP) at Brookhaven National Laboratory February 4-6, 2015 to explore opportunities in neutrino physics over the next five to ten years. Scientists from particle, astroparticle and nuclear physics participated in the workshop. The workshop examined promising opportunities for neutrino physics in the intermediate term, including possible new small to mid-scale experiments, US contributions to large experiments, upgrades to existing experiments, R&D plans and theory. The workshop was organized into two sets of parallel working group sessions, divided by physics topics and technology. Physics working groups covered topics on Sterile Neutrinos, Neutrino Mixing, Neutrino Interactions, Neutrino Properties and Astrophysical Neutrinos. Technology sessions were organized into Theory, Short-Baseline Accelerator Neutrinos, Reactor Neutrinos, Detector R&D and Source, Cyclotron and Meson Decay at Rest sessions.This report summ...

Measuring the Impact of Financial Intermediation: Linking Contract Theory to Econometric Policy Evaluation.

Science.gov (United States)

Townsend, Robert M; Urzua, Sergio S

2009-09-01

We study the impact that financial intermediation can have on productivity through the alleviation of credit constraints in occupation choice and/or an improved allocation of risk, using both static and dynamic structural models as well as reduced form OLS and IV regressions. Our goal in this paper is to bring these two strands of the literature together. Even though, under certain assumptions, IV regressions can recover accurately the true model-generated local average treatment effect, these are quantitatively different, in order of magnitude and even sign, from other policy impact parameters (e.g., ATE and TT). We also show that laying out clearly alternative models can guide the search for instruments. On the other hand adding more margins of decision, i.e., occupation choice and intermediation jointly, or adding more periods with promised utilities as key state variables, as in optimal multi-period contracts, can cause the misinterpretation of IV as the causal effect of interest.

Optical model theory of elastic electron- and positron-atom scattering at intermediate energies

International Nuclear Information System (INIS)

Joachain, C.J.

1977-01-01

It is stated that the basic idea of the optical model theory is to enable analysis of the elastic scattering of a particle from a complex target by replacing the complicated interactions between the beam and the target by an optical potential, or pseudopotential, in which the incident particle moves. Once the optical potential is determined the original many-body elastic scattering problem reduces to a one-body situation. The resulting optical potential is, however, a very complicated operator, and the formal expressions obtained from first principles for the optical potential can only be evaluated approximately in a few simple cases, such as high energy elastic hadron-nucleus scattering, for the the optical potential can be expressed in terms of two-body hadron-nucleon amplitudes, and the non-relativistic elastic scattering of fast charged particles by atoms. The elastic scattering of an electron or positron by a neutral atom at intermediate energies is here considered. Exchange effects between the projectile and the atomic electrons are considered; also absorption and polarisation effects. Applications of the full-wave optical model have so far only been made to the elastic scattering of fast electrons and positrons by atomic H, He, Ne, and Ar. Agreements of the optical model results with absolute measurements of differential cross sections for electron scattering are very good, an agreement that improves as the energy increases, but deteriorates quickly as the incident energy becomes lower than 50 eV for atomic H or 100 eV for He. For more complex atoms the optical model calculations also appear very encouraging. With regard to positron-atom elastic scattering the optical model results for positron-He scattering differ markedly at small angles from the corresponding electron-He values. It would be interesting to have experimental angular distributions of positron-atom elastic scattering in order to check predictions of the optical model theory. (U.K.)

The influence of the anisotropic stress state on the intermediate strain properties of granular material

KAUST Repository

Goudarzy, M.; Kö nig, D.; Santamarina, Carlos; Schanz, T.

2017-01-01

This paper shows the effect of anisotropic stress state on intermediate strain properties of cylindrical samples containing spherical glass particles. Tests were carried out with the modified resonant column device available at Ruhr

The Intermediate Neutrino Program

Energy Technology Data Exchange (ETDEWEB)

Adams, C.; et al.

2015-03-23

The US neutrino community gathered at the Workshop on the Intermediate Neutrino Program (WINP) at Brookhaven National Laboratory February 4-6, 2015 to explore opportunities in neutrino physics over the next five to ten years. Scientists from particle, astroparticle and nuclear physics participated in the workshop. The workshop examined promising opportunities for neutrino physics in the intermediate term, including possible new small to mid-scale experiments, US contributions to large experiments, upgrades to existing experiments, R&D plans and theory. The workshop was organized into two sets of parallel working group sessions, divided by physics topics and technology. Physics working groups covered topics on Sterile Neutrinos, Neutrino Mixing, Neutrino Interactions, Neutrino Properties and Astrophysical Neutrinos. Technology sessions were organized into Theory, Short-Baseline Accelerator Neutrinos, Reactor Neutrinos, Detector R&D and Source, Cyclotron and Meson Decay at Rest sessions.This report summarizes discussion and conclusions from the workshop.

The Intermediate Neutrino Program

Energy Technology Data Exchange (ETDEWEB)

Adams, C. [Yale Univ., New Haven, CT (United States); Alonso, J. R. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Ankowski, A. M. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Asaadi, J. A. [Syracuse Univ., NY (United States); Ashenfelter, J. [Yale Univ., New Haven, CT (United States); Axani, S. N. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Babu, K [Oklahoma State Univ., Stillwater, OK (United States); Backhouse, C. [California Inst. of Technology (CalTech), Pasadena, CA (United States); Band, H. R. [Yale Univ., New Haven, CT (United States); Barbeau, P. S. [Duke Univ., Durham, NC (United States); Barros, N. [Univ. of Pennsylvania, Philadelphia, PA (United States); Bernstein, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Betancourt, M. [Illinois Inst. of Technology, Chicago, IL (United States); Bishai, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Blucher, E. [Univ. of Chicago, IL (United States); Bouffard, J. [State Univ. of New York (SUNY), Albany, NY (United States); Bowden, N. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brice, S. [Illinois Inst. of Technology, Chicago, IL (United States); Bryan, C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Camilleri, L. [Columbia Univ., New York, NY (United States); Cao, J. [Inst. of High Energy Physics, Beijing (China); Carlson, J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Carr, R. E. [Columbia Univ., New York, NY (United States); Chatterjee, A. [Univ. of Texas, Arlington, TX (United States); Chen, M. [Univ. of California, Irvine, CA (United States); Chen, S. [Tsinghua Univ., Beijing (China); Chiu, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Church, E. D. [Illinois Inst. of Technology, Chicago, IL (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Collar, J. I. [Univ. of Chicago, IL (United States); Collin, G. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Conrad, J. M. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Convery, M. R. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Cooper, R. L. [Indiana Univ., Bloomington, IN (United States); Cowen, D. [Pennsylvania State Univ., University Park, PA (United States); Davoudiasl, H. [Brookhaven National Lab. (BNL), Upton, NY (United States); Gouvea, A. D. [Northwestern Univ., Evanston, IL (United States); Dean, D. J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Deichert, G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Descamps, F. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); DeYoung, T. [Michigan State Univ., East Lansing, MI (United States); Diwan, M. V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Djurcic, Z. [Argonne National Lab. (ANL), Argonne, IL (United States); Dolinski, M. J. [Drexel Univ., Philadelphia, PA (United States); Dolph, J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Donnelly, B. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Dwyer, D. A. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Dytman, S. [Univ. of Pittsburgh, PA (United States); Efremenko, Y. [Univ. of Tennessee, Knoxville, TN (United States); Everett, L. L. [Univ. of Wisconsin, Madison, WI (United States); Fava, A. [University of Padua, Padova (Italy); Figueroa-Feliciano, E. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Fleming, B. [Yale Univ., New Haven, CT (United States); Friedland, A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Fujikawa, B. K. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Gaisser, T. K. [Univ. of Delaware, Newark, DE (United States); Galeazzi, M. [Univ. of Miami, FL (United States); Galehouse, DC [Univ. of Akron, OH (United States); Galindo-Uribarri, A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Garvey, G. T. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Gautam, S. [Tribhuvan Univ., Kirtipur (Nepal); Gilje, K. E. [Illinois Inst. of Technology, Chicago, IL (United States); Gonzalez-Garcia, M. [Stony Brook Univ., NY (United States); Goodman, M. C. [Argonne National Lab. (ANL), Argonne, IL (United States); Gordon, H. [Brookhaven National Lab. (BNL), Upton, NY (United States); Gramellini, E. [Yale Univ., New Haven, CT (United States); Green, M. P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Guglielmi, A. [University of Padua, Padova (Italy); Hackenburg, R. W. [Brookhaven National Lab. (BNL), Upton, NY (United States); Hackenburg, A. [Yale Univ., New Haven, CT (United States); Halzen, F. [Univ. of Wisconsin, Madison, WI (United States); Han, K. [Yale Univ., New Haven, CT (United States); Hans, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Harris, D. [Illinois Inst. of Technology, Chicago, IL (United States); Heeger, K. M. [Yale Univ., New Haven, CT (United States); Herman, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Hill, R. [Univ. of Chicago, IL (United States); Holin, A. [Univ. College London, Bloomsbury (United Kingdom); Huber, P. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Jaffe, D. E. [Brookhaven National Lab. (BNL), Upton, NY (United States); Johnson, R. A. [Univ. of Cincinnati, OH (United States); Joshi, J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Karagiorgi, G. [Univ. of Manchester (United Kingdom); Kaufman, L. J. [Indiana Univ., Bloomington, IN (United States); Kayser, B. [Illinois Inst. of Technology, Chicago, IL (United States); Kettell, S. H. [Brookhaven National Lab. (BNL), Upton, NY (United States); Kirby, B. J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Klein, J. R. [Univ. of Texas, Arlington, TX (United States); Kolomensky, Y. G. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); Kriske, R. M. [Univ. of Minnesota, Minneapolis, MN (United States); Lane, C. E. [Drexel Univ., Philadelphia, PA (United States); Langford, T. J. [Yale Univ., New Haven, CT (United States); Lankford, A. [Univ. of California, Irvine, CA (United States); Lau, K. [Univ. of Houston, TX (United States); Learned, J. G. [Univ. of Hawaii, Honolulu, HI (United States); Ling, J. [Univ. of Illinois, Urbana-Champaign, IL (United States); Link, J. M. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Lissauer, D. [Brookhaven National Lab. (BNL), Upton, NY (United States); Littenberg, L. [Brookhaven National Lab. (BNL), Upton, NY (United States); Littlejohn, B. R. [Illinois Inst. of Technology, Chicago, IL (United States); Lockwitz, S. [Illinois Inst. of Technology, Chicago, IL (United States); Lokajicek, M. [Inst. of Physics of the Academy of Sciences of Czech Republic, Prague (Czech Republic); Louis, W. C. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Luk, K. [Univ. of California, Berkeley, CA (United States); Lykken, J. [Illinois Inst. of Technology, Chicago, IL (United States); Marciano, W. J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Maricic, J. [Univ. of Hawaii, Honolulu, HI (United States); Markoff, D. M. [North Carolina Central Univ., Durham, NC (United States); Caicedo, D. A. M. [Illinois Inst. of Technology, Chicago, IL (United States); Mauger, C. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mavrokoridis, K. [Univ. of Liverpool (United Kingdom); McCluskey, E. [Illinois Inst. of Technology, Chicago, IL (United States); McKeen, D. [Univ. of Washington, Seattle, WA (United States); McKeown, R. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Mills, G. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mocioiu, I. [Pennsylvania State Univ., University Park, PA (United States); Monreal, B. [Univ. of California, Santa Barbara, CA (United States); Mooney, M. R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Morfin, J. G. [Illinois Inst. of Technology, Chicago, IL (United States); Mumm, P. [National Inst. of Standards and Technology (NIST), Boulder, CO (United States); Napolitano, J. [Temple Univ., Philadelphia, PA (United States); Neilson, R. [Drexel Univ., Philadelphia, PA (United States); Nelson, J. K. [College of William and Mary, Williamsburg, VA (United States); Nessi, M. [European Organization for Nuclear Research (CERN), Geneva (Switzerland); Norcini, D. [Yale Univ., New Haven, CT (United States); Nova, F. [Univ. of Texas, Austin, TX (United States); Nygren, D. R. [Univ. of Texas, Arlington, TX (United States); Gann, GDO [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); Palamara, O. [Illinois Inst. of Technology, Chicago, IL (United States); Parsa, Z. [Brookhaven National Lab. (BNL), Upton, NY (United States); Patterson, R. [California Inst. of Technology (CalTech), Pasadena, CA (United States); Paul, P. [Stony Brook Univ., NY (United States); Pocar, A. [Univ. of Massachusetts, Amherst, MA (United States); Qian, X. [Brookhaven National Lab. (BNL), Upton, NY (United States); Raaf, J. L. [Illinois Inst. of Technology, Chicago, IL (United States); Rameika, R. [Illinois Inst. of Technology, Chicago, IL (United States); Ranucci, G. [National Inst. of Nuclear Physics, Milano (Italy); Ray, H. [Univ. of Florida, Gainesville, FL (United States); Reyna, D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rich, G. C. [Triangle Universities Nuclear Lab., Durham, NC (United States); Rodrigues, P. [Univ. of Rochester, NY (United States); Romero, E. R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States); Rosero, R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Rountree, S. D. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Rybolt, B. [Univ. of Tennessee, Knoxville, TN (United States); Sanchez, M. C. [Iowa State Univ., Ames, IA (United States); Santucci, G. [Stony Brook Univ., NY (United States); Schmitz, D. [Univ. of Chicago, IL (United States); Scholberg, K. [Duke Univ., Durham, NC (United States); Seckel, D. [Univ. of Delaware, Newark, DE (United States); Shaevitz, M. [Columbia Univ., New York, NY (United States); Shrock, R. [Stony Brook Univ., NY (United States); Smy, M. B. [Univ. of California, Irvine, CA (United States); Soderberg, M. [Syracuse Univ., NY (United States); Sonzogni, A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Sousa, A. B. [Univ. of Cincinnati, OH (United States); Spitz, J. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); John, J. M. S. [Univ. of Cincinnati, OH (United States); Stewart, J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Strait, J. B. [Illinois Inst. of Technology, Chicago, IL (United States); Sullivan, G. [Univ. of Maryland, College Park, MD (United States); Svoboda, R. [Univ. of California, Davis, CA (United States); Szelc, A. M. [Yale Univ., New Haven, CT (United States); Tayloe, R. [Indiana Univ., Bloomington, IN (United States); Thomson, M. A. [Univ. of Cambridge (United Kingdom); Toups, M. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Vacheret, A. [Univ. of Oxford (United Kingdom); Vagins, M. [Univ. of California, Irvine, CA (United States); Water, R. G. V. D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Vogelaar, R. B. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Weber, M. [Bern (Switzerland); Weng, W. [Brookhaven National Lab. (BNL), Upton, NY (United States); Wetstein, M. [Univ. of Chicago, IL (United States); White, C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); White, B. R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Whitehead, L. [Univ. of Houston, TX (United States); Whittington, D. W. [Indiana Univ., Bloomington, IN (United States); Wilking, M. J. [Stony Brook Univ., NY (United States); Wilson, R. J. [Colorado State Univ., Fort Collins, CO (United States); Wilson, P. [Illinois Inst. of Technology, Chicago, IL (United States); Winklehner, D. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Winn, D. R. [Fairfield Univ., CT (United States); Worcester, E. [Brookhaven National Lab. (BNL), Upton, NY (United States); Yang, L. [Univ. of Illinois, Urbana-Champaign, IL (United States); Yeh, M [Brookhaven National Lab. (BNL), Upton, NY (United States); Yokley, Z. W. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Yoo, J. [Illinois Inst. of Technology, Chicago, IL (United States); Yu, B. [Brookhaven National Lab. (BNL), Upton, NY (United States); Yu, J. [Univ. of Texas, Arlington, TX (United States); Zhang, C. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2017-04-03

The US neutrino community gathered at the Workshop on the Intermediate Neutrino Program (WINP) at Brookhaven National Laboratory February 4-6, 2015 to explore opportunities in neutrino physics over the next five to ten years. Scientists from particle, astroparticle and nuclear physics participated in the workshop. The workshop examined promising opportunities for neutrino physics in the intermediate term, including possible new small to mid-scale experiments, US contributions to large experiments, upgrades to existing experiments, R&D plans and theory. The workshop was organized into two sets of parallel working group sessions, divided by physics topics and technology. Physics working groups covered topics on Sterile Neutrinos, Neutrino Mixing, Neutrino Interactions, Neutrino Properties and Astrophysical Neutrinos. Technology sessions were organized into Theory, Short-Baseline Accelerator Neutrinos, Reactor Neutrinos, Detector R&D and Source, Cyclotron and Meson Decay at Rest sessions.This report summarizes discussion and conclusions from the workshop.

Regularities of intermediate adsorption complex relaxation

International Nuclear Information System (INIS)

Manukova, L.A.

1982-01-01

The experimental data, characterizing the regularities of intermediate adsorption complex relaxation in the polycrystalline Mo-N 2 system at 77 K are given. The method of molecular beam has been used in the investigation. The analytical expressions of change regularity in the relaxation process of full and specific rates - of transition from intermediate state into ''non-reversible'', of desorption into the gas phase and accumUlation of the particles in the intermediate state are obtained

Uses of solid state analogies in elementary particle theory

International Nuclear Information System (INIS)

Anderson, P.W.

1976-01-01

The solid state background of some of the modern ideas of field theory is reviewed, and additional examples of model situations in solid state or many-body theory which may have relevance to fundamental theories of elementary particles are adduced

Quasi-degenerate perturbation theory using matrix product states

International Nuclear Information System (INIS)

Sharma, Sandeep; Jeanmairet, Guillaume; Alavi, Ali

2016-01-01

In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner’s 2n + 1 rule. Further, our formulation satisfies Granovsky’s requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost

Quasi-degenerate perturbation theory using matrix product states

Energy Technology Data Exchange (ETDEWEB)

Sharma, Sandeep, E-mail: sanshar@gmail.com; Jeanmairet, Guillaume [Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart (Germany); Alavi, Ali, E-mail: a.alavi@fkf.mpg.de [Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart (Germany); Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

2016-01-21

In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner’s 2n + 1 rule. Further, our formulation satisfies Granovsky’s requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost.

Quasi-degenerate perturbation theory using matrix product states

Science.gov (United States)

Sharma, Sandeep; Jeanmairet, Guillaume; Alavi, Ali

2016-01-01

In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner's 2n + 1 rule. Further, our formulation satisfies Granovsky's requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost.

Excited-state density functional theory

International Nuclear Information System (INIS)

Harbola, Manoj K; Hemanadhan, M; Shamim, Md; Samal, P

2012-01-01

Starting with a brief introduction to excited-state density functional theory, we present our method of constructing modified local density approximated (MLDA) energy functionals for the excited states. We show that these functionals give accurate results for kinetic energy and exchange energy compared to the ground state LDA functionals. Further, with the inclusion of GGA correction, highly accurate total energies for excited states are obtained. We conclude with a brief discussion on the further direction of research that include the construction of correlation energy functional and exchange potential for excited states.

Bimetric Theory of Fractional Quantum Hall States

Science.gov (United States)

Gromov, Andrey; Son, Dam Thanh

2017-10-01

We present a bimetric low-energy effective theory of fractional quantum Hall (FQH) states that describes the topological properties and a gapped collective excitation, known as the Girvin-Macdonald-Platzman (GMP) mode. The theory consists of a topological Chern-Simons action, coupled to a symmetric rank-2 tensor, and an action à la bimetric gravity, describing the gapped dynamics of a spin-2 mode. The theory is formulated in curved ambient space and is spatially covariant, which allows us to restrict the form of the effective action and the values of phenomenological coefficients. Using bimetric theory, we calculate the projected static structure factor up to the k6 order in the momentum expansion. To provide further support for the theory, we derive the long-wave limit of the GMP algebra, the dispersion relation of the GMP mode, and the Hall viscosity of FQH states. The particle-hole (PH) transformation of the theory takes a very simple form, making the duality between FQH states and their PH conjugates manifest. We also comment on the possible applications to fractional Chern insulators, where closely related structures arise. It is shown that the familiar FQH observables acquire a curious geometric interpretation within the bimetric formalism.

Bimetric Theory of Fractional Quantum Hall States

Directory of Open Access Journals (Sweden)

Andrey Gromov

2017-11-01

Full Text Available We present a bimetric low-energy effective theory of fractional quantum Hall (FQH states that describes the topological properties and a gapped collective excitation, known as the Girvin-Macdonald-Platzman (GMP mode. The theory consists of a topological Chern-Simons action, coupled to a symmetric rank-2 tensor, and an action à la bimetric gravity, describing the gapped dynamics of a spin-2 mode. The theory is formulated in curved ambient space and is spatially covariant, which allows us to restrict the form of the effective action and the values of phenomenological coefficients. Using bimetric theory, we calculate the projected static structure factor up to the k^{6} order in the momentum expansion. To provide further support for the theory, we derive the long-wave limit of the GMP algebra, the dispersion relation of the GMP mode, and the Hall viscosity of FQH states. The particle-hole (PH transformation of the theory takes a very simple form, making the duality between FQH states and their PH conjugates manifest. We also comment on the possible applications to fractional Chern insulators, where closely related structures arise. It is shown that the familiar FQH observables acquire a curious geometric interpretation within the bimetric formalism.

On selection rules and inelastic electron scattering at intermediate energies

International Nuclear Information System (INIS)

Nuroh, K.

1986-12-01

Correlation effects are included in the Bethe-Born theory for the generalized oscillator strength of inelastic scattering of electrons on atoms. The formulation is such as to allow for the calculation of relative line strengths of multiplets. It is used to analyze line strengths of the 4d → 4f transition in La 3+ and Ce 4+ within LS-coupling. The analysis indicates that only singlet states of the intermediate 4d 9 4f configuration are allowed. Calculated line strengths are compared with a recent core electron energy loss spectra of metallic La and tetravalent CeO 2 and there is an overall qualitative agreement between theory and experiment. (author). 11 refs, 4 figs, 2 tabs

Multiplet effects in the electronic structure of intermediate-valence compounds

DEFF Research Database (Denmark)

Thunström, P.; Di Marco, I.; Grechnev, A.

2009-01-01

We present an implementation of the Hubbard-I approximation based on the exact solution of the atomic many-body problem incorporated in a full-potential linear muffin-tin orbital method of density-functional theory. Comparison between calculated and measured x-ray photoemission spectra reveal a g...... a good agreement for intermediate valence systems in open crystal structures such as YbInCu4, SmB6, and YbB12. Spectral features of the unoccupied states of SmB6 are predicted....

Search for intermediate vector bosons

International Nuclear Information System (INIS)

Klajn, D.B.; Rubbia, K.; Meer, S.

1983-01-01

Problem of registration and search for intermediate vector bosons is discussed. According to weak-current theory there are three intermediate vector bosons with +1(W + )-1(W - ) and zero (Z 0 ) electric charges. It was suggested to conduct the investigation into particles in 1976 by cline, Rubbia and Makintair using proton-antiproton beams. Major difficulties of the experiment are related to the necessity of formation of sufficient amount of antiparticles and the method of antiproton beam ''cooling'' for the purpose of reduction of its random movements. The stochastic method was suggested by van der Meer in 1968 as one of possible cooling methods. Several large detectors were designed for searching intermediate vector bosons

A unified theory of quasibound states

Directory of Open Access Journals (Sweden)

Curt A. Moyer

2014-02-01

Full Text Available We report a formalism for the study of quasibound states, defined here broadly as those states having a connectedness to true bound states through the variation of some physical parameter. The theory admits quasibound states with real energies (stationary quasibound states and quantum resonances within the same framework, and makes a clean distinction between these states and those of the associated continuum. The approach taken here builds on our earlier work by clarifying several crucial points and extending the formalism to encompass a variety of continuous spectra, including those with degeneracies. The theory is illustrated by examining several cases pertinent to applications widely discussed in the literature. The related issue of observing stationary quasibound states also is addressed. We argue that the Adiabatic Theorem of quantum mechanics not only establishes the criteria necessary for their detection, but also engenders a method for assigning to them a level width that is sufficiently distinct from that of quantum resonances so as to allow the two to be differentiated experimentally.

The spectra of supersymmetric states in string theory

NARCIS (Netherlands)

Cheng, M.C.N.

2008-01-01

In this thesis we study the spectra of supersymmetric states in string theory compactifications with eight and sixteen supercharges, with special focus placed on the quantum states of black holes and the phenomenon of wall-crossing in these theories. A self-contained introduction to the relevant

The spectral distribution of intermediate L-K molecular-orbital radiation in symmetric heavy-ion collisions

International Nuclear Information System (INIS)

Heinig, K.-H.; Jager, H.-U.; Richter, H.; Woittennek, H.; Frank, W.; Gippener, P.; Kaun, K.-H.; Manfrass, P.

1977-01-01

Two distinct x-ray continua C1 and C2 above the characteristic lines are observed in high-energy collisions between atoms with atomic numbers of 28 to 57. This structure is explained by a superposition of K molecular-orbital (KMO) radiation and of an intermediate L-K molecular-orbital (ILKMO) radiation of high intensity which is due to 2psigma vacancies. In the framework of the dynamical theory of intermediate molecular phenomena and using a scaling of the H 2 + correlation diagram with screened state-dependent charges good agreement between the shapes of the measured and calculated spectra is obtained. (author)

Pyrolysis of 3-carene: Experiment, Theory and Modeling

Indian Academy of Sciences (India)

which is used as a rocket fuel has been well studied.2–5. 3-carene, a .... lated using frequencies obtained at MP2/6-31G* level ..... Figure 5. Transition state structures for intermediate reaction steps originating from 3-carene optimized at G3 level of theory (except for TS1, optimized at B3LYP/6-311+G(d,p) level of theory.

Electron scattering from sodium at intermediate energies

International Nuclear Information System (INIS)

Mitroy, J.; McCarthy, I.E.

1986-10-01

A comprehensive comparison is made between theoretical calculations and experimental data for intermediate energy (≥ 10 eV) electron scattering from sodium vapour. The theoretical predictions of coupled-channels calculations (including one, two or four channels) do not agree with experimental values of the differential cross sections for elastic scattering or the resonant 3s to 3p excitation. Increasingly-more-sophisticated calculations, incorporating electron correlations in the target states, and also including core-excited states in the close-coupling expansion, are done at a few selected energies in an attempt to isolate the cause of the discrepancies between theory and experiment. It is found that these more-sophisticated calculations give essentially the same results as the two- and four-channel calculations using Hartree-Fock wavefunctions. Comparison of the sodium high-energy elastic differential cross sections with those of neon suggests that the sodium differential cross section experiments may suffer from systematic errors. There is also disagreement, at the higher energies, between theoretical values for the scattering parameters and those that are derived from laser-excited superelastic scattering and electron photon coincidence experiments. When allowance is made for the finite acceptance angle of the electron spectrometers used in the experiments by convoluting the theory with a function representing the distribution of electrons entering the electron spectrometer it is found that the magnitudes of the differences between theory and experiment are reduced

Progress in applyiong the FKK multistep reaction theory to intermediate-energy data evaluation

International Nuclear Information System (INIS)

Chadwick, M.B.; Young, P.G.

1994-01-01

Recent developments to the physics modeling in the FKK-GNASH code system are reviewed. We describe modifications to include a linking of multistep direct and multistep compound processes, which are important when the incident energy is less than about 30 MeV. A model for multiple preequilibrium emission is given, and compared with experimental measurements of proton reactions on 90 Zr at 160 MeV. We also give some preliminary observations concerning FKK calculations which use both normal and non-normal DWBA matrix elements. We describe the application of the FKK-GNASH code to a range of nuclear data applications, including intermediate energy reactions of importance in the accelerator transmutation of waste, and fast neutron and proton cancer radiation treatment. We outline areas where further work is needed for the accurate modeling of nuclear reactions using the FKK theory

A Quantum Version of Wigner's Transition State Theory

NARCIS (Netherlands)

Schubert, R.; Waalkens, H.; Wiggins, S.

A quantum version of a recent realization of Wigner's transition state theory in phase space is presented. The theory developed builds on a quantum normal form which locally decouples the quantum dynamics near the transition state to any desired order in (h) over bar. This leads to an explicit

Boundary states in c=-2 logarithmic conformal field theory

International Nuclear Information System (INIS)

Bredthauer, Andreas; Flohr, Michael

2002-01-01

Starting from first principles, a constructive method is presented to obtain boundary states in conformal field theory. It is demonstrated that this method is well suited to compute the boundary states of logarithmic conformal field theories. By studying the logarithmic conformal field theory with central charge c=-2 in detail, we show that our method leads to consistent results. In particular, it allows to define boundary states corresponding to both, indecomposable representations as well as their irreducible subrepresentations

The Theory of Effectiveness of the State: Institutional Aspect

Directory of Open Access Journals (Sweden)

Kolesnichenko Irina M.

2016-02-01

Full Text Available The article is devoted to one of the most urgent problems of modern economic theory and practice — effectiveness of the state. The aim of the paper is a comprehensive analysis of institutional aspects of the formation of a new economic theory of effectiveness of the state. To achieve this aim, the author first summarizes the evolution and theoretical and methodological characteristics of the economic theories of the state paying a special attention to the essence of the concept of “state” and focusing on “effectiveness of the state” as a major category of the new economic theory. Then he proceeds to institutional aspects of effectiveness of the state considering it as a specific organization and system of institutions of power and control; defines components of effectiveness of the state generalizing the existing methodological approaches and most importantly — the modern criteria for assessing the effectiveness of the state.

Excited state conformational dynamics in carotenoids: dark intermediates and excitation energy transfer.

Science.gov (United States)

Beck, Warren F; Bishop, Michael M; Roscioli, Jerome D; Ghosh, Soumen; Frank, Harry A

2015-04-15

A consideration of the excited state potential energy surfaces of carotenoids develops a new hypothesis for the nature of the conformational motions that follow optical preparation of the S2 (1(1)Bu(+)) state. After an initial displacement from the Franck-Condon geometry along bond length alternation coordinates, it is suggested that carotenoids pass over a transition-state barrier leading to twisted conformations. This hypothesis leads to assignments for several dark intermediate states encountered in femtosecond spectroscopic studies. The Sx state is assigned to the structure reached upon the onset of torsional motions near the transition state barrier that divides planar and twisted structures on the S2 state potential energy surface. The X state, detected recently in two-dimensional electronic spectra, corresponds to a twisted structure well past the barrier and approaching the S2 state torsional minimum. Lastly, the S(∗) state is assigned to a low lying S1 state structure with intramolecular charge transfer character (ICT) and a pyramidal conformation. It follows that the bent and twisted structures of carotenoids that are found in photosynthetic light-harvesting proteins yield excited-state structures that favor the development of an ICT character and optimized energy transfer yields to (bacterio)chlorophyll acceptors. Copyright © 2015 Elsevier Inc. All rights reserved.

Financial Intermediation and the Nigerian Economy: A Time Series ...

African Journals Online (AJOL)

... and cointegration analysis based on Engle Granger cointegration theory and error correction methodology, we tested both short and long run relationships between financial intermediation and economic growth in Nigeria. The result revealed that a long–run relationship exists between financial intermediation and growth ...

Steady states in conformal theories

CERN Multimedia

CERN. Geneva

2015-01-01

A novel conjecture regarding the steady state behavior of conformal field theories placed between two heat baths will be presented. Some verification of the conjecture will be provided in the context of fluid dynamics and holography.

The structure of states and maps in quantum theory

Indian Academy of Sciences (India)

Home; Journals; Pramana – Journal of Physics; Volume 73; Issue 3. The structure of states and maps in quantum theory. Sudhavathani Simon S P ... The structure of statistical state spaces in the classical and quantum theories are compared in an interesting and novel manner. Quantum state spaces and maps on them ...

Three-body forces in nuclear matter from intermediate Δ-states in three-nucleon clusters

International Nuclear Information System (INIS)

Kouki, T.; Smulter, L.E.W.; Green, A.M.

1976-10-01

The three-body force contribution in nuclear matter is treated as a three-nucleon cluster, in which one of the nucleons becomes, in an intermediate state, a Δ(1236). All exchange diagrams are calculated and found to significantly reduce the energy per particle from the direct graph. This is contrary to earlier estimates of the exchanges, using more approximate approaches. The resulting attractive contribution is rather small, -1.1 MeV at ksub(F)=1.4 fm -1 , but the roughly linear density dependence has a crucial effect on the saturation properties. The sensitivity of the results to the correlations used, and to the two-body force spin structure, is displayed. The energy per particle from clusters with three intermediate Δ's is also estimated. (author)

State vector reduction - 1: Dynamical reduction theories; changing quantum theory so the statevector represents reality

International Nuclear Information System (INIS)

Ghirardi, G.C.; Pearle, P.

1991-02-01

The propositions, that what we see around us is real and that reality should be represented by the statevector, conflict with quantum theory. In quantum theory, the statevector can readily become a sum of states of comparable norm, each state representing a different reality. In this paper we present the Continuous Spontaneous Localization (CSL) theory, in which a modified Schroedinger equation, while scarcely affecting the dynamics of a microscopic system, rapidly ''reduces'' the statevector of a macroscopic system to a state appropriate for representing individual reality. (author). Refs

Discrete state perturbation theory via Green's functions

International Nuclear Information System (INIS)

Rubinson, W.

1975-01-01

The exposition of stationary-state perturbation theory via the Green's function method in Goldberger and Watson's Collision Theory is reworked in a way that makes explicit its mathematical basis. It is stressed that the theory consists of the construction of, and manipulations on, a mathematical identity. The perturbation series fall out of the identity almost immediately. The logical status of the method is commented on

Anatomy of zero-norm states in string theory

International Nuclear Information System (INIS)

Chan, C.-T.; Lee, J.-C.; Yi Yang

2005-01-01

We calculate and identify the counterparts of zero-norm states in the old covariant first quantized (OCFQ) spectrum of open bosonic string in two other quantization schemes of string theory, namely, the light-cone Del Giudice-Di Vecchia-Fubine zero-norm states and the off-shell Becchi-Rouet-Stora-Tyutin (BRST) zero-norm states (with ghost) in the Witten string field theory (WSFT). In particular, special attention is paid to the interparticle zero-norm states in all quantization schemes. For the case of the off-shell BRST zero-norm states, we impose the no-ghost conditions and recover exactly two types of on-shell zero-norm states in the OCFQ string spectrum for the first few low-lying mass levels. We then show that off-shell gauge transformations of WSFT are identical to the on-shell stringy gauge symmetries generated by two types of zero-norm states in the generalized massive σ-model approach of string theory. The high-energy limit of these stringy gauge symmetries was recently used to calculate the proportionality constants, conjectured by Gross, among high-energy scattering amplitudes of different string states. Based on these zero-norm state calculations, we have thus related gauge symmetry of WSFT to the high-energy stringy symmetry of Gross

The Theory of the Legal State

Directory of Open Access Journals (Sweden)

L. J. Du Plessis

1981-03-01

Full Text Available In this article, which has not been published before, the late Prof. du Plessis lays bare the philosophical roots of the liberal-democratic state, or the legal state, as he preferred to call it. After a recapitulative version of the theory of the legal state, het indicates the origin of this form in Greek philosophy and in Medieval thought. The stress, however, is on the Modem Era, in which he distinuishes two main periods in the development of the theory of the legal state:the jusnaturalistic period and thepositivistic or formal period.He argues that positivism has destroyed the original ideal o f individual freedom in facts by regarding justice as a purely formal matter susceptible to any content. All guarantees for individual freedom which rested on a universal normative system fe ll away. The state defines its own competence and limits itself to legal forms in all its activities. The legal state thus merely becomes the state, any state as determined by fixed rules o f its own making to which it binds itselfin all its functioning. Law sinks to a mere form in which the juristic personality of the state manifests its supremacy, and from this there is only one step to the concept that the state is identical with law, so that any state necessarily is a legal state, and any state action which is formally correct, is legal. The article concludes with a brief representation o f the author’s own political and legal vision.

State-Dependence of the Climate Sensitivity in Earth System Models of Intermediate Complexity

Science.gov (United States)

Pfister, Patrik L.; Stocker, Thomas F.

2017-10-01

Growing evidence from general circulation models (GCMs) indicates that the equilibrium climate sensitivity (ECS) depends on the magnitude of forcing, which is commonly referred to as state-dependence. We present a comprehensive assessment of ECS state-dependence in Earth system models of intermediate complexity (EMICs) by analyzing millennial simulations with sustained 2×CO2 and 4×CO2 forcings. We compare different extrapolation methods and show that ECS is smaller in the higher-forcing scenario in 12 out of 15 EMICs, in contrast to the opposite behavior reported from GCMs. In one such EMIC, the Bern3D-LPX model, this state-dependence is mainly due to the weakening sea ice-albedo feedback in the Southern Ocean, which depends on model configuration. Due to ocean-mixing adjustments, state-dependence is only detected hundreds of years after the abrupt forcing, highlighting the need for long model integrations. Adjustments to feedback parametrizations of EMICs may be necessary if GCM intercomparisons confirm an opposite state-dependence.

ANTI-CORRELATED SOFT LAGS IN THE INTERMEDIATE STATE OF BLACK HOLE SOURCE GX 339-4

International Nuclear Information System (INIS)

Sriram, K.; Choi, C. S.; Rao, A. R.

2010-01-01

We report the few hundred second anti-correlated soft lags between soft and hard energy bands in the source GX 339-4 using RXTE observations. In one observation, anti-correlated soft lags were observed using the ISGRI/INTEGRAL hard energy band and the PCA/RXTE soft energy band light curves. The lags were observed when the source was in hard and soft intermediate states, i.e., in a steep power-law state. We found that the temporal and spectral properties were changed during the lag timescale. The anti-correlated soft lags are associated with spectral variability during which the geometry of the accretion disk is changed. The observed temporal and spectral variations are explained using the framework of truncated disk geometry. We found that during the lag timescale, the centroid frequency of quasi-periodic oscillation is decreased, the soft flux is decreased along with an increase in the hard flux, and the power-law index steepens together with a decrease in the disk normalization parameter. We argue that these changes could be explained if we assume that the hot corona condenses and forms a disk in the inner region of the accretion disk. The overall spectral and temporal changes support the truncated geometry of the accretion disk in the steep power-law state or in the intermediate state.

Vibrational nonadiabaticity and tunneling effects in transition state theory

International Nuclear Information System (INIS)

Marcus, R.A.

1979-01-01

The usual quantum mechanical derivation of transition state theory is a statistical one (a quasi-equilibrium is assumed) or dynamical. The typical dynamical one defines a set of internal states and assumes vibrational adiabaticity. Effects of nonadiabaticity before and after the transition state are included in the present derivation, assuming a classical treatment of the reaction coordinate. The relation to a dynamical derivation of classical mechanical transition state theory is described, and tunneling effects are considered

Intermediates, Catalysts, Persistence, and Boundary Steady States

DEFF Research Database (Denmark)

Marcondes de Freitas, Michael; Feliu, Elisenda; Wiuf, Carsten

2017-01-01

networks without breaking known necessary or sufficient conditions for persistence, by iteratively removing socalled intermediates and catalysts from the network. The procedures are easy to apply and, in many cases, lead to highly simplified network structures, such as monomolecular networks. For specific...

Intermediate Radical Termination Theory in Elucidation of RAFT Kinetics and Comparison to Experimental Data

Directory of Open Access Journals (Sweden)

M. Baqeri-Jagharq

2008-12-01

Full Text Available In current work a comprehensive mechanism based on intermediate radical termination theory is assumed for RAFT polymerization of styrene over cumyl dithiobenzoate as RAFT agent. Rate constants for addition (ka and fragmentation reactions (kf are set to 6×106 and 5×104 respectively, which lead to an equilibrium constant value of K = ka/kf = 1.2 x 102. Moment equations method was used to model this mechanism and the results were compared to experimental data to verify modeling. The effects of changing RAFT agent concentration on conversion, molecular weight and polydispersity index of the final product were investigated through the modeling. According to the results, the likelihood of living polymerization increases with raising RAFT agent concentration which leads to linearity of conversion and molecular weight curves and therefore lowering the polydispersity index and narrowing the molecular weight distribution.

A plane-wave final-state theory of ATI

International Nuclear Information System (INIS)

Parker, J.S.; Clark, C.W.

1993-01-01

A Fermi Golden Rule calculation of ionization cross-sections provides us with the simplest example of a plane-wave final-state theory. In this method the final (unbound) state is modeled as a plane wave, an approximation that generally gives best results in the high energy limit in which the affect of the atomic potential on the final state can be neglected. A cross-section is then calculated from the matrix element connecting the bound initial state with the final state. The idea of generalizing this method to model transitions among unbound states is credited to L.V. Keldysh, and a number of related formalisms have been proposed that are consistent with the general features of experimental data. Here we describe a plane-wave final-state model of ATI that is in the spirit of these theories, but differs significantly in its implementation and predictions. We will present a comparison of the predictions of the plane-wave model with those of a full numerical integration of the time-dependent Schrodinger equation for atomic hydrogen in a radiation field. The theory and the numerical integration give good qualitative agreement in their predictions of photoelectron spectra over about 14 orders of magnitude

Spin tests for intermediate states in radiative psi'(3684) decay chains

International Nuclear Information System (INIS)

Kabir, P.K.; Hey, A.J.G.

1976-01-01

Analysis of the multiple angular-correlation functions for the sequential decays psi'(1 - ) → γ + chi, chi → M anti M, where M is a spinless meson, and psi'(1 - ) → γ 1 + chi, chi → γ 2 + psi, psi (1 - ) → l anti l, when the psi' is formed in e + e - collisions, shows that these can unambiguously distinguish between the spin assignments s/sub chi/ = 0, 1 or 2 for the intermediate states occurring in these decays, as well as determine the multipole amplitudes contributing to the radiative transitions. No dynamical assumptions are made beyond the conservation of angular momentum and parity; recoils are fully taken into account

Theory of even-parity states and two-photon spectra of conjugated polymers

Science.gov (United States)

McWilliams, P. C. M.; Hayden, G. W.; Soos, Z. G.

1991-04-01

The two-photon absorption (TPA) spectrum of interacting π electrons in conjugated polymers is shown to be qualitatively different from any single-particle description, including the Hartree-Fock limit. Alternating transfer integrals t(1+/-δ) along the backbone lead to a weak TPA below the one-photon gap Eg for arbitrarily weak correlations at δ=0, for intermediate correlations at δ=0.07 in polyenes, and for strong correlations at any δtheory to Eg in the limit of strong correlations in Hubbard models and is around 1.5Eg for Pariser-Parr-Pople (PPP) parameters. The PPP model, which accounts for one- and two-photon excitations of finite polyenes, is extended to even-parity states in polydiacetylenes (PDA's), polyacetylene (PA), and polysilanes (PS's). Previous experimental data for PDA and PS support both the strong TPA above Eg and weak TPA slightly below Eg for δ=0.15 in PDA and above Eg for δ~0.3 in PS. The strong TPA expected around 1.5Eg in isolated PA strands shifts to ~Eg due to interchain π-electron dispersion forces. TPA intensities in correlated states are shown to reflect both ionicity and mean-square charge separation. The even-parity states of conjugated polymers, like those of polyenes, show qualitatively different features associated with electron-electron correlations.

Analysis of the Intermediate-State Contributions to Neutrinoless Double β− Decays

Directory of Open Access Journals (Sweden)

Juhani Hyvärinen

2016-01-01

Full Text Available A comprehensive analysis of the structure of the nuclear matrix elements (NMEs of neutrinoless double beta-minus (0νβ-β- decays to the 0+ ground and first excited states is performed in terms of the contributing multipole states in the intermediate nuclei of 0νβ-β- transitions. We concentrate on the transitions mediated by the light (l-NMEs Majorana neutrinos. As nuclear model we use the proton-neutron quasiparticle random-phase approximation (pnQRPA with a realistic two-nucleon interaction based on the Bonn one-boson-exchange G matrix. In the computations we include the appropriate short-range correlations, nucleon form factors, and higher-order nucleonic weak currents and restore the isospin symmetry by the isoscalar-isovector decomposition of the particle-particle proton-neutron interaction parameter gpp.

A Quantum Version of Wigner’s Transition State Theory

NARCIS (Netherlands)

Schubert, R.; Waalkens, H.; Wiggins, S.

2009-01-01

A quantum version of a recent realization of Wigner’s transition state theory in phase space is presented. The theory developed builds on a quantum normal form which locally decouples the quantum dynamics near the transition state to any desired order in ħ. This leads to an explicit algorithm to

Non-existence of natural states for Abelian Chern-Simons theory

Science.gov (United States)

Dappiaggi, Claudio; Murro, Simone; Schenkel, Alexander

2017-06-01

We give an elementary proof that Abelian Chern-Simons theory, described as a functor from oriented surfaces to C∗-algebras, does not admit a natural state. Non-existence of natural states is thus not only a phenomenon of quantum field theories on Lorentzian manifolds, but also of topological quantum field theories formulated in the algebraic approach.

Theory of Primary Photoexcitations in Donor-Acceptor Copolymers

OpenAIRE

Aryanpour, Karan; Dutta, Tirthankar; Huynh, Uyen N. V.; Vardeny, Zeev Valy; Mazumdar, Sumit

2015-01-01

We present a generic theory of primary photoexcitations in low band gap donor-acceptor conjugated copolymers. Because of the combined effects of strong electron correlations and broken symmetry, there is considerable mixing between a charge-transfer exciton and an energetically proximate triplet-triplet state with an overall spin singlet. The triplet-triplet state, optically forbidden in homopolymers, is allowed in donor-acceptor copolymers. For an intermediate difference in electron affiniti...

Possible States Theory and the Occurrence of Change

International Nuclear Information System (INIS)

Thomson, S.

2010-01-01

Possible states theory is an original alternative to the major schools of thought, relativity and quantum mechanics. It begins with the observation that for every object there exists a collection of past, future and possible interactions with other objects. The members of the collection are called the possible states. space-time is excluded as an ordering principle. Cosmologically, the theory suggests that we live in a permanent now, a complex present where everything that can happen, does and it all happens at once. It envisions a sea of interactions, in constant motion, where the arrow of change can point in any direction. The formalism is finite and discrete. The dimensionality of an interaction is a variable and must be a positive integer. A vector space can be defined. Statistics analogous to mass and energy can be developed. The theory produces experimentally verifiable predictions. It is broadly consistent with quantum theory. The phenomena of classical physics can be accounted for as a special case of the propagation of change in low coherence states. The theory offers a basis for technological development. The advantage is the ability to cause change which is nonlocal and unconstrained by conservation laws. Moreover, it allows the creation of technology that has some of the properties we associate with sentience.

Quantifying the limits of transition state theory in enzymatic catalysis.

Science.gov (United States)

Zinovjev, Kirill; Tuñón, Iñaki

2017-11-21

While being one of the most popular reaction rate theories, the applicability of transition state theory to the study of enzymatic reactions has been often challenged. The complex dynamic nature of the protein environment raised the question about the validity of the nonrecrossing hypothesis, a cornerstone in this theory. We present a computational strategy to quantify the error associated to transition state theory from the number of recrossings observed at the equicommittor, which is the best possible dividing surface. Application of a direct multidimensional transition state optimization to the hydride transfer step in human dihydrofolate reductase shows that both the participation of the protein degrees of freedom in the reaction coordinate and the error associated to the nonrecrossing hypothesis are small. Thus, the use of transition state theory, even with simplified reaction coordinates, provides a good theoretical framework for the study of enzymatic catalysis. Copyright © 2017 the Author(s). Published by PNAS.

Anti-correlated Soft Lags in the Intermediate State of Black Hole Source GX 339-4

OpenAIRE

Sriram, K.; Rao, A. R.; Choi, C. S.

2010-01-01

We report the few hundred second anti-correlated soft lags between soft and hard energy bands in the source GX 339-4 using RXTE observations. In one observation, anti-correlated soft lags were observed using the ISGRI/INTEGRAL hard energy band and the PCA/RXTE soft energy band light curves. The lags were observed when the source was in hard and soft intermediate states, i.e., in a steep power-law state.We found that the temporal and spectral properties were changed during the lag timescale. T...

Classical model of intermediate statistics

International Nuclear Information System (INIS)

Kaniadakis, G.

1994-01-01

In this work we present a classical kinetic model of intermediate statistics. In the case of Brownian particles we show that the Fermi-Dirac (FD) and Bose-Einstein (BE) distributions can be obtained, just as the Maxwell-Boltzmann (MD) distribution, as steady states of a classical kinetic equation that intrinsically takes into account an exclusion-inclusion principle. In our model the intermediate statistics are obtained as steady states of a system of coupled nonlinear kinetic equations, where the coupling constants are the transmutational potentials η κκ' . We show that, besides the FD-BE intermediate statistics extensively studied from the quantum point of view, we can also study the MB-FD and MB-BE ones. Moreover, our model allows us to treat the three-state mixing FD-MB-BE intermediate statistics. For boson and fermion mixing in a D-dimensional space, we obtain a family of FD-BE intermediate statistics by varying the transmutational potential η BF . This family contains, as a particular case when η BF =0, the quantum statistics recently proposed by L. Wu, Z. Wu, and J. Sun [Phys. Lett. A 170, 280 (1992)]. When we consider the two-dimensional FD-BE statistics, we derive an analytic expression of the fraction of fermions. When the temperature T→∞, the system is composed by an equal number of bosons and fermions, regardless of the value of η BF . On the contrary, when T=0, η BF becomes important and, according to its value, the system can be completely bosonic or fermionic, or composed both by bosons and fermions

Quantum theory of the solid state part B

CERN Document Server

Callaway, Joseph

1974-01-01

Quantum Theory of the Solid State, Part B describes the concepts and methods of the central problems of the quantum theory of solids. This book discusses the developed machinery applied to impurities, disordered systems, effects of external fields, transport phenomena, and superconductivity. The representation theory, low field diamagnetic susceptibility, electron-phonon interaction, and Landau theory of fermi liquids are also deliberated. This text concludes with an introduction to many-body theory and some applications. This publication is a suitable textbook for students who have completed

The Problem State : A Cognitive Bottleneck in Multitasking

NARCIS (Netherlands)

Borst, Jelmer P.; Taatgen, Niels A.; van Rijn, Hedderik

The main challenge for theories of multitasking is to predict when and how tasks interfere. He re, we focus on interference related to the problem state. a directly accessible intermediate representation of the current state of a task. On the basis of Salvucci and Taatgen's (2008) threaded cognition

Indirect contributions to electron-impact ionization of Li+ (1 s 2 s S31 ) ions: Role of intermediate double-K -vacancy states

Science.gov (United States)

Müller, A.; Borovik, A.; Huber, K.; Schippers, S.; Fursa, D. V.; Bray, I.

2018-02-01

Fine details of the cross section for electron-impact ionization of metastable two-electron Li+(1 s 2 s S31) ions are scrutinized by both experiment and theory. Beyond direct knockoff ionization, indirect ionization mechanisms proceeding via formation of intermediate double-K-vacancy (hollow) states either in a Li+ ion or in a neutral lithium atom and subsequent emission of one or two electrons, respectively, can contribute to the net production of Li2 + ions. The partial cross sections for such contributions are less than 4% of the total single-ionization cross section. The characteristic steps, resonances, and interference phenomena in the indirect ionization contribution are measured with an experimental energy spread of less than 0.9 eV and with a statistical relative uncertainty of the order of 1.7%, requiring a level of statistical uncertainty in the total single-ionization cross section of better than 0.05%. The measurements are accompanied by convergent-close-coupling calculations performed on a fine energy grid. Theory and experiment are in remarkable agreement concerning the fine details of the ionization cross section. Comparison with previous R-matrix results is less favorable.

[Artificial Cysteine Bridges on the Surface of Green Fluorescent Protein Affect Hydration of Its Transition and Intermediate States].

Science.gov (United States)

Melnik, T N; Nagibina, G S; Surin, A K; Glukhova, K A; Melnik, B S

2018-01-01

Studying the effect of cysteine bridges on different energy levels of multistage folding proteins will enable a better understanding of the process of folding and functioning of globular proteins. In particular, it will create prospects for directed change in the stability and rate of protein folding. In this work, using the method of differential scanning microcalorimetry, we have studied the effect of three cysteine bridges introduced in different structural elements of the green fluorescent protein on the denaturation enthalpies, activation energies, and heat-capacity increments when this protein passes from native to intermediate and transition states. The studies have allowed us to confirm that, with this protein denaturation, the process hardly damages the structure initially, but then changes occur in the protein structure in the region of 4-6 beta sheets. The cysteine bridge introduced in this region decreases the hydration of the second transition state and increases the hydration of the second intermediate state during the thermal denaturation of the green fluorescent protein.

Kinetics of disorder-to-fcc phase transition via an intermediate bcc state

International Nuclear Information System (INIS)

Liu Yongsheng; Nie Huifen; Bansil, Rama; Steinhart, Milos; Bang, Joona; Lodge, Timothy P.

2006-01-01

Time-resolved small-angle x-ray scattering measurements reveal that a long-lived intermediate bcc state forms when a poly(styrene-b-isoprene) diblock copolymer solution in an isoprene selective solvent is rapidly cooled from the disordered micellar fluid at high temperature to an equilibrium fcc state. The kinetics of the epitaxial growth of the [111] fcc peak from the [110] bcc peak was obtained by fitting the scattering data to a simple model of the transformation. The growth of the [111] fcc peak agrees with the Avrami model of nucleation and growth kinetics with an exponent n=1.4, as does the initial decay of the [110] bcc peak, with an exponent n=1.3. The data were also found to be in good agreement with the Cahn model of grain boundary nucleation and growth

42 CFR 54.12 - Treatment of intermediate organizations.

Science.gov (United States)

2010-10-01

... 42 Public Health 1 2010-10-01 2010-10-01 false Treatment of intermediate organizations. 54.12... intermediate organizations. If a nongovernmental organization (referred to here as an “intermediate organization”), acting under a contract or other agreement with the Federal Government or a State or local...

Curriculum Theory and the Welfare State

Directory of Open Access Journals (Sweden)

Benjamin Justice

2017-07-01

Full Text Available How do states make citizens? The question is as old as states themselves. Surprisingly, however, the approaches to answering it have emerged as a form of parallel play, uncoordinated (and poorly understood across fields. This essay attempts to reconcile disparate realms of social research that address the question. The first, curriculum theory, grows out of educational research that for a century has focused almost exclusively on schools, schooling, and intentional settings for academic knowledge transmission. The second realm draws primarily on research from psychology, sociology, and political science to look empirically for effects of exposure to particular kinds of social phenomena. These include, but are not exclusive to, public institutions and policies. This essay begins by developing a mainstream conception of curriculum theory. It then compares and contrasts social science traditions that engage questions related to the state’s role in civic identity formation. Finally, it offers a case study on New York City’s controversial policing strategy known as Stop, Question, and Frisk, exploring how curriculum theory (developed in the context of mass schooling can be a useful framework for understanding the educational features of a distinct social policy.

Comments on intermediate-scale models

International Nuclear Information System (INIS)

Ellis, J.; Enqvist, K.; Nanopoulos, D.V.; Olive, K.

1987-01-01

Some superstring-inspired models employ intermediate scales m I of gauge symmetry breaking. Such scales should exceed 10 16 GeV in order to avoid prima facie problems with baryon decay through heavy particles and non-perturbative behaviour of the gauge couplings above m I . However, the intermediate-scale phase transition does not occur until the temperature of the Universe falls below O(m W ), after which an enormous excess of entropy is generated. Moreover, gauge symmetry breaking by renormalization group-improved radiative corrections is inapplicable because the symmetry-breaking field has not renormalizable interactions at scales below m I . We also comment on the danger of baryon and lepton number violation in the effective low-energy theory. (orig.)

A Relation Between Topological Quantum Field Theory and the Kodama State

OpenAIRE

Oda, Ichiro

2003-01-01

We study a relation between topological quantum field theory and the Kodama (Chern-Simons) state. It is shown that the Kodama (Chern-Simons) state describes a topological state with unbroken diffeomorphism invariance in Yang-Mills theory and Einstein's general relativity in four dimensions. We give a clear explanation of "why" such a topological state exists.

Meteorological perspective on intermediate range atmospheric dispersion

International Nuclear Information System (INIS)

Van der Hoven, I.

1981-01-01

The intermediate range of atmospheric transport and diffusion is defined as those dispersion processes which take place at downwind distances of 10 to 100 kilometers from pollutant sources. Meteorologists often define this range as the mesoscale. It is the range of distances where certain environmental assessments are of concern such as the determination of significant deterioration of visibility, the effect of effluent releases from tall stacks, and the effect of pollutant sources in rural settings upon the more distant urban centers. Atmospheric diffusion theory is based on steady state conditions and spatial homogeniety. Techniques must be developed to measure the inhomogenieties, models must be devised to account for the complexities, and a data base consisting of appropriate measured meteorological parameters concurrent with tracer gas concentrations should be collected

Variational Approach in the Theory of Liquid-Crystal State

Science.gov (United States)

Gevorkyan, E. V.

2018-03-01

The variational calculus by Leonhard Euler is the basis for modern mathematics and theoretical physics. The efficiency of variational approach in statistical theory of liquid-crystal state and in general case in condensed state theory is shown. The developed approach in particular allows us to introduce correctly effective pair interactions and optimize the simple models of liquid crystals with help of realistic intermolecular potentials.

Bound states in quantum field theory and coherent states: A fresh look

International Nuclear Information System (INIS)

Misra, S.P.

1986-09-01

We consider here bound state equations in quantum field theory where the state explicitly includes radiation quanta as constituents with the number of such quanta not fixed. The fully interacting system is dealt with through equal time commutators/anticommutators of field operators. The multiparticle channel for the radiation field is approximated through coherent state representations. (author)

State variable theories based on Hart's formulation

Energy Technology Data Exchange (ETDEWEB)

Korhonen, M.A.; Hannula, S.P.; Li, C.Y.

1985-01-01

In this paper a review of the development of a state variable theory for nonelastic deformation is given. The physical and phenomenological basis of the theory and the constitutive equations describing macroplastic, microplastic, anelastic and grain boundary sliding enhanced deformation are presented. The experimental and analytical evaluation of different parameters in the constitutive equations are described in detail followed by a review of the extensive experimental work on different materials. The technological aspects of the state variable approach are highlighted by examples of the simulative and predictive capabilities of the theory. Finally, a discussion of general capabilities, limitations and future developments of the theory and particularly the possible extensions to cover an even wider range of deformation or deformation-related phenomena is presented.

A Theory of the Origin of the State

Science.gov (United States)

Carneiro, Robert L.

1970-01-01

Suggests that states evolve in response to ecological or social circumscription, or resource concentration. When dense populations develop, fighting over land forces loser into political subordination or incorporation. This modification of coercive theories explain lack of state in Amazon basin and origin of Inca, Maya, Hwang Valley states.…

Quantization of Space-like States in Lorentz-Violating Theories

Science.gov (United States)

Colladay, Don

2018-01-01

Lorentz violation frequently induces modified dispersion relations that can yield space-like states that impede the standard quantization procedures. In certain cases, an extended Hamiltonian formalism can be used to define observer-covariant normalization factors for field expansions and phase space integrals. These factors extend the theory to include non-concordant frames in which there are negative-energy states. This formalism provides a rigorous way to quantize certain theories containing space-like states and allows for the consistent computation of Cherenkov radiation rates in arbitrary frames and avoids singular expressions.

Conformal blocks related to the R-R states in the c^=1 superconformal field theories

Science.gov (United States)

Hadasz, Leszek; Jaskólski, Zbigniew; Suchanek, Paulina

2008-01-01

We derive an explicit form of the family of four-point Neveu-Schwarz blocks with c^=1, external weights Δi=(1)/(8) and arbitrary intermediate weight Δ. The derivation is based on analytic properties of correlation functions of Ramond fields in the free superscalar theory.

Spectro-Timing Study of GX 339-4 in a Hard Intermediate State

DEFF Research Database (Denmark)

Fürst, F.; Grinberg, V.; Tomsick, J. A.

2016-01-01

We present an analysis of Nuclear Spectroscopic Telescope Array observations of a hard intermediate state of the transient black hole GX 339-4 taken in 2015 January. With the source softening significantly over the course of the 1.3 day long observation we split the data into 21 sub-sets and find...... that the spectrum of all of them can be well described by a power-law continuum with an additional relativistically blurred reflection component. The photon index increases from ∼1.69 to ∼1.77 over the course of the observation. The accretion disk is truncated at around nine gravitational radii in all spectra. We...

Twisted boundary states in c=1 coset conformal field theories

International Nuclear Information System (INIS)

Ishikawa, Hiroshi; Yamaguchi, Atsushi

2003-01-01

We study the mutual consistency of twisted boundary conditions in the coset conformal field theory G/H. We calculate the overlap of the twisted boundary states of G/H with the untwisted ones, and show that the twisted boundary states are consistently defined in the charge-conjugation modular invariant. The overlap of the twisted boundary states is expressed by the branching functions of a twisted affine Lie algebra. As a check of our argument, we study the diagonal coset theory so(2n) 1 +so(2n) 1 /so(2n) 2 , which is equivalent to the orbifold S 1 /Z 2 at a particular radius. We construct the boundary states twisted by the automorphisms of the unextended Dynkin diagram of so(2n), and show their mutual consistency by identifying their counterpart in the orbifold. For the triality of so(8), the twisted states of the coset theory correspond to neither the Neumann nor the Dirichlet boundary states of the orbifold and yield conformal boundary states that preserve only the Virasoro algebra. (author)

Comments on intermediate-scale models

Energy Technology Data Exchange (ETDEWEB)

Ellis, J.; Enqvist, K.; Nanopoulos, D.V.; Olive, K.

1987-04-23

Some superstring-inspired models employ intermediate scales m/sub I/ of gauge symmetry breaking. Such scales should exceed 10/sup 16/ GeV in order to avoid prima facie problems with baryon decay through heavy particles and non-perturbative behaviour of the gauge couplings above m/sub I/. However, the intermediate-scale phase transition does not occur until the temperature of the Universe falls below O(m/sub W/), after which an enormous excess of entropy is generated. Moreover, gauge symmetry breaking by renormalization group-improved radiative corrections is inapplicable because the symmetry-breaking field has not renormalizable interactions at scales below m/sub I/. We also comment on the danger of baryon and lepton number violation in the effective low-energy theory.

A Theory of Liquidity and Regulation of Financial Intermediation

OpenAIRE

Emmanuel Farhi; Mikhail Golosov; Aleh Tsyvinski

2009-01-01

This paper studies a mechanism design model of financial intermediation. There are two informational frictions: agents receive unobservable shocks and can participate in markets by engaging in trades unobservable to intermediaries. Without regulations, intermediaries provide no risk sharing because of an externality arising from arbitrage opportunities. We identify a simple regulation -- a liquidity requirement -- that corrects such an externality by affecting the interest rate on the markets...

Multipulse spectroscopy on the wild-type and YM210W Bacterial Reaction Centre uncovers a new intermediate state in the special pair excited state

Science.gov (United States)

Cohen Stuart, T. A.; van Grondelle, R.

2009-06-01

The Bacterial Reaction Centre (BRC) has a complex electronic excited state, P ∗, that evolves into subsequent charge separated product states P +H - and P +B -. Pump-dump-probe spectroscopy on the wild-type BRC and on YM210W, a mutant with a stabilized, long-lived P ∗ excited state, has uncovered a new charge-separated state in both BRC's. When P ∗ is dumped, a fraction of its population is transferred to this state that has a strong Stark shift in the accessory bacteriochlorophyll (B M) region which serves as a signature for P + and a lifetime highly comparable to the slow phase of P ∗ decay. This lead us propose this intermediate to be P +/P -.

Black holes evaporation and big mass particle (maximon, intermediate boson) creation in nonstationary universe

International Nuclear Information System (INIS)

Man'ko, V.I.; Markov, M.A.

1984-01-01

This chapter considers the process of creation of particles with maximally big masses (maximons, intermediate bosons) in the nonstationary Universe within the framework of neutral and charged scalar field theory. The conclusions of the matter creation model for real particles (resonances) and hypothetical particles (maximons, friedmons, intermediate bosons) are analyzed. It is determined that if the mechanism of maximon's creation exists, then these particles must be stable. The maximons could be the final states of decaying black holes. A possible mechanism of cosmic ray creation as a result of ''vacuum'' generation of known unstable particles is discussed. The limits upon the mass and the life time of intermediate bosons are calculated. It is demonstrated that the creation of masses greater than 10 GeV, and with life times less than 10- 24 sec and quantity of elementary particles greater than 100 are in contradiction with the particle creation mechanism and the experimental mass density in the Universe. The formalism of the examined method and its vacuum properties are discussed in an appendix

Matrix product states for lattice field theories

Energy Technology Data Exchange (ETDEWEB)

Banuls, M.C.; Cirac, J.I. [Max-Planck-Institut fuer Quantenoptik (MPQ), Garching (Germany); Cichy, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Poznan Univ. (Poland). Faculty of Physics; Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Saito, H. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Tsukuba Univ., Ibaraki (Japan). Graduate School of Pure and Applied Sciences

2013-10-15

The term Tensor Network States (TNS) refers to a number of families of states that represent different ansaetze for the efficient description of the state of a quantum many-body system. Matrix Product States (MPS) are one particular case of TNS, and have become the most precise tool for the numerical study of one dimensional quantum many-body systems, as the basis of the Density Matrix Renormalization Group method. Lattice Gauge Theories (LGT), in their Hamiltonian version, offer a challenging scenario for these techniques. While the dimensions and sizes of the systems amenable to TNS studies are still far from those achievable by 4-dimensional LGT tools, Tensor Networks can be readily used for problems which more standard techniques, such as Markov chain Monte Carlo simulations, cannot easily tackle. Examples of such problems are the presence of a chemical potential or out-of-equilibrium dynamics. We have explored the performance of Matrix Product States in the case of the Schwinger model, as a widely used testbench for lattice techniques. Using finite-size, open boundary MPS, we are able to determine the low energy states of the model in a fully non-perturbativemanner. The precision achieved by the method allows for accurate finite size and continuum limit extrapolations of the ground state energy, but also of the chiral condensate and the mass gaps, thus showing the feasibility of these techniques for gauge theory problems.

The structure of states and maps in quantum theory

Indian Academy of Sciences (India)

In classical theory, the statistical state space of a two-state system is a closed line segment ... state space of of a d-level quantum system has such a simple geometry as that of a sphere. ..... positive map cannot represent any physical process.

Transport on intermediate time scales in flows with cat's eye patterns

Science.gov (United States)

Pöschke, Patrick; Sokolov, Igor M.; Zaks, Michael A.; Nepomnyashchy, Alexander A.

2017-12-01

We consider the advection-diffusion transport of tracers in a one-parameter family of plane periodic flows where the patterns of streamlines feature regions of confined circulation in the shape of "cat's eyes," separated by meandering jets with ballistic motion inside them. By varying the parameter, we proceed from the regular two-dimensional lattice of eddies without jets to the sinusoidally modulated shear flow without eddies. When a weak thermal noise is added, i.e., at large Péclet numbers, several intermediate time scales arise, with qualitatively and quantitatively different transport properties: depending on the parameter of the flow, the initial position of a tracer, and the aging time, motion of the tracers ranges from subdiffusive to superballistic. We report on results of extensive numerical simulations of the mean-squared displacement for different initial conditions in ordinary and aged situations. These results are compared with a theory based on a Lévy walk that describes the intermediate-time ballistic regime and gives a reasonable description of the behavior for a certain class of initial conditions. The interplay of the walk process with internal circulation dynamics in the trapped state results at intermediate time scales in nonmonotonic characteristics of aging not captured by the Lévy walk model.

Transition state theory for enzyme kinetics

Science.gov (United States)

Truhlar, Donald G.

2015-01-01

This article is an essay that discusses the concepts underlying the application of modern transition state theory to reactions in enzymes. Issues covered include the potential of mean force, the quantization of vibrations, the free energy of activation, and transmission coefficients to account for nonequilibrium effect, recrossing, and tunneling. PMID:26008760

Theoretical optoelectronic analysis of intermediate-band photovoltaic material based on ZnY1−xOx (Y = S, Se, Te) semiconductors by first-principles calculations

International Nuclear Information System (INIS)

Wu Kong-Ping; Zhou Meng-Ran; Huang You-Rui; Gu Shu-Lin; Ye Jian-Dong; Zhu Shun-Ming; Zhang Rong; Zheng You-Dou; Tang Kun

2013-01-01

The structural, energetic, and electronic properties of lattice highly mismatched ZnY 1−x O x (Y = S, Se, Te) ternary alloys with dilute O concentrations are calculated from first principles within the density functional theory. We demonstrate the formation of an isolated intermediate electronic band structure through diluted O-substitute in zinc-blende ZnY (Y = S, Se, Te) at octahedral sites in a semiconductor by the calculations of density of states (DOS), leading to a significant absorption below the band gap of the parent semiconductor and an enhancement of the optical absorption in the whole energy range of the solar spectrum. It is found that the intermediate band states should be described as a result of the coupling between impurity O 2p states with the conduction band states. Moreover, the intermediate bands (IBs) in ZnTeO show high stabilization with the change of O concentration resulting from the largest electronegativity difference between O and Te compared with in the other ZnSO and ZnSeO. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Conformal blocks related to the R-R states in the c-circumflex=1 superconformal field theories

International Nuclear Information System (INIS)

Hadasz, Leszek; Suchanek, Paulina; Jaskolski, Zbigniew

2008-01-01

We derive an explicit form of the family of four-point Neveu-Schwarz blocks with c-circumflex=1, external weights Δ i =(1/8) and arbitrary intermediate weight Δ. The derivation is based on analytic properties of correlation functions of Ramond fields in the free superscalar theory

Numerical model of operation of the Langmuir probe under intermediate pressure

International Nuclear Information System (INIS)

Dudin, S.V.

1996-01-01

The technique of a Langmuir probe is known reasonably well. However, despite plenty of work devoted to calculation of currents on the probe inserted into plasma, a theory does not at present exist which would allow calculation of plasma parameters at any size of the probe and pressure of the working gas. While the theory of a probe in absence of collisions is developed rather in detail by Bernstain and Rabinovich, Laframboise, Allen, and others, there is no rigorous theory which describes a probe under high pressure of a gas. As for intermediate pressure, the theories are absent. Solution of the problem is in this case considerably complicated because of non-local dependence of density of charged particles on potential or electric field strength that means unusability of hydrodynamic approach and necessity of application of the kinetic theory. To fill in this gap the author has developed a numerical model of ion kinetics in a near-boundary layer of a Langmuir probe, inserted into a weakly-ionized gas-discharge plasma, in a range of intermediate pressure of a neutral gas as well as at any ratio between thickness of the layer of space charge and radius of the probe. On the base of results of modeling, practical technique of processing of pore characteristics at intermediate pressure is developed: (i) a technique of calculation of density of ions; (2) a technique of division of a probe current on electron and ion part

Rydberg energies using excited state density functional theory

International Nuclear Information System (INIS)

Cheng, C.-L.; Wu Qin; Van Voorhis, Troy

2008-01-01

We utilize excited state density functional theory (eDFT) to study Rydberg states in atoms. We show both analytically and numerically that semilocal functionals can give quite reasonable Rydberg energies from eDFT, even in cases where time dependent density functional theory (TDDFT) fails catastrophically. We trace these findings to the fact that in eDFT the Kohn-Sham potential for each state is computed using the appropriate excited state density. Unlike the ground state potential, which typically falls off exponentially, the sequence of excited state potentials has a component that falls off polynomially with distance, leading to a Rydberg-type series. We also address the rigorous basis of eDFT for these systems. Perdew and Levy have shown using the constrained search formalism that every stationary density corresponds, in principle, to an exact stationary state of the full many-body Hamiltonian. In the present context, this means that the excited state DFT solutions are rigorous as long as they deliver the minimum noninteracting kinetic energy for the given density. We use optimized effective potential techniques to show that, in some cases, the eDFT Rydberg solutions appear to deliver the minimum kinetic energy because the associated density is not pure state v-representable. We thus find that eDFT plays a complementary role to constrained DFT: The former works only if the excited state density is not the ground state of some potential while the latter applies only when the density is a ground state density.

Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theory.

Science.gov (United States)

Granovsky, Alexander A

2011-06-07

The distinctive desirable features, both mathematically and physically meaningful, for all partially contracted multi-state multi-reference perturbation theories (MS-MR-PT) are explicitly formulated. The original approach to MS-MR-PT theory, called extended multi-configuration quasi-degenerate perturbation theory (XMCQDPT), having most, if not all, of the desirable properties is introduced. The new method is applied at the second order of perturbation theory (XMCQDPT2) to the 1(1)A(')-2(1)A(') conical intersection in allene molecule, the avoided crossing in LiF molecule, and the 1(1)A(1) to 2(1)A(1) electronic transition in cis-1,3-butadiene. The new theory has several advantages compared to those of well-established approaches, such as second order multi-configuration quasi-degenerate perturbation theory and multi-state-second order complete active space perturbation theory. The analysis of the prevalent approaches to the MS-MR-PT theory performed within the framework of the XMCQDPT theory unveils the origin of their common inherent problems. We describe the efficient implementation strategy that makes XMCQDPT2 an especially useful general-purpose tool in the high-level modeling of small to large molecular systems. © 2011 American Institute of Physics

Isomerization Intermediates In Solution Phase Photochemistry Of Stilbenes

Science.gov (United States)

Doany, F. E.; Hochstrasser, R. M.; Greene, B. I.

1985-04-01

Picosecond and subpicosecond spectroscopic studies have revealed evidence for an isomerization intermediate between cis and trans in the photoinduced isomerism of both stilbene and biindanyledene ("stiff" stilbene). In stiff stilbene, a transient absorption at 351 nm displays time evolution and viscosity dependence consistent with absorption by a twisted intermediate ("phantom" state) with a lOps lifetime. An analagous bottleneck state with a life-time of 4ps is also consistent with the ground state recovery dynamics of t-stilbene following excitation of c-stilbene when monitored with 0.1ps resolution.

Correlated Default and Financial Intermediation

OpenAIRE

Gregory Phelan

2015-01-01

Financial intermediation naturally arises when knowledge about the aggregate state is valuable for managing investments and lenders cannot easily observe the aggregate state. I show this using a costly enforcement model in which lenders need ex-post incentives to enforce payments from defaulted loans and borrowers' payoffs are correlated. When projects have correlated outcomes, learning the state of one project (via enforcement) provides information about the states of other projects. A large...

Instanton bound states in ABJM theory

Energy Technology Data Exchange (ETDEWEB)

Hatsuda, Yasuyuki [DESY Hamburg (Germany). Theory Group; Tokyo Institute of Technology (Japan). Dept. of Physics; Moriyama, Sanefumi [Nagoya Univ. (Japan). Kobayashi Maskawa Inst. and Graduate School of Mathematics; Okuyama, Kazumi [Shinshu Univ., Matsumoto, Nagano (Japan). Dept. of Physics

2013-06-15

The partition function of the ABJM theory receives non-perturbative corrections due to instanton effects. We study these non-perturbative corrections, including bound states of worldsheet instantons and membrane instantons, in the Fermi-gas approach. We require that the total non-perturbative correction should be always finite for arbitrary Chern-Simons level. This finiteness is realized quite non-trivially because each bound state contribution naively diverges at some levels. The poles of each contribution should be canceled out in total. We use this pole cancellation mechanism to find unknown bound state corrections from known ones. We conjecture a general expression of the bound state contribution. Summing up all the bound state contributions, we find that the effect of bound states is simply incorporated into the worldsheet instanton correction by a redefinition of the chemical potential in the Fermi-gas system. Analytic expressions of the 3- and 4-membrane instanton corrections are also proposed.

Evidence for the epistemic view of quantum states: A toy theory

International Nuclear Information System (INIS)

Spekkens, Robert W.

2007-01-01

We present a toy theory that is based on a simple principle: the number of questions about the physical state of a system that are answered must always be equal to the number that are unanswered in a state of maximal knowledge. Many quantum phenomena are found to have analogues within this toy theory. These include the noncommutativity of measurements, interference, the multiplicity of convex decompositions of a mixed state, the impossibility of discriminating nonorthogonal states, the impossibility of a universal state inverter, the distinction between bipartite and tripartite entanglement, the monogamy of pure entanglement, no cloning, no broadcasting, remote steering, teleportation, entanglement swapping, dense coding, mutually unbiased bases, and many others. The diversity and quality of these analogies is taken as evidence for the view that quantum states are states of incomplete knowledge rather than states of reality. A consideration of the phenomena that the toy theory fails to reproduce, notably, violations of Bell inequalities and the existence of a Kochen-Specker theorem, provides clues for how to proceed with this research program

The structure of double scattering in old-fashioned perturbation theory

International Nuclear Information System (INIS)

Caneschi, L.; Halliday, I.G.; Schwimmer, A.

1978-01-01

The authors study in old-fashioned perturbation theory the time orderings that are relevant for the exchange of two Regge poles (ladders). They determine how the phase of double scattering is established in the Mandelstam diagram. The analysis clarifies the intermediate state structure of the multiple-scattering expansion and the role of the unitarity constraints. (Auth.)

High resolution NMR theory and chemical applications

CERN Document Server

Becker, Edwin D

2012-01-01

High Resolution NMR: Theory and Chemical Applications discusses the principles and theory of nuclear magnetic resonance and how this concept is used in the chemical sciences. This book is written at an intermediate level, with mathematics used to augment verbal descriptions of the phenomena. This text pays attention to developing and interrelating four approaches - the steady state energy levels, the rotating vector picture, the density matrix, and the product operator formalism. The style of this book is based on the assumption that the reader has an acquaintance with the general principles of quantum mechanics, but no extensive background in quantum theory or proficiency in mathematics is required. This book begins with a description of the basic physics, together with a brief account of the historical development of the field. It looks at the study of NMR in liquids, including high resolution NMR in the solid state and the principles of NMR imaging and localized spectroscopy. This book is intended to assis...

Singlet channel coupling in deuteron elastic scattering at intermediate energies

International Nuclear Information System (INIS)

Al-Khalili, J.S.; Tostevin, J.A.; Johnson, R.C.

1990-01-01

Intermediate energy deuteron elastic scattering is investigated in a three-body model incorporating relativistic kinematics. The effects of deuteron breakup to singlet spin intermediate states, on the elastic scattering observables for the 58 Ni(d vector, d) 58 Ni reaction at 400 and 700 MeV, are studied quantitatively. The singlet-breakup contributions to the elastic amplitude are estimated within an approximate two-step calculation. The calculation makes an adiabatic approximation in the intermediate states propagator which allows the use of closure over the np intermediate states continuum. The singlet channel coupling is found to produce large effects on the calculated reaction tensor analysing power A yy , characteristic of a dynamically induced second-rank tensor interaction. By inspection of the calculated breakup amplitudes we show this induced interaction to be of the T L tensor type. (orig.)

Simplifying biochemical models with intermediate species

DEFF Research Database (Denmark)

Feliu, Elisenda; Wiuf, Carsten

2013-01-01

techniques, we study systematically the effects of intermediate, or transient, species in biochemical systems and provide a simple, yet rigorous mathematical classification of all models obtained from a core model by including intermediates. Main examples include enzymatic and post-translational modification...... systems, where intermediates often are considered insignificant and neglected in a model, or they are not included because we are unaware of their existence. All possible models obtained from the core model are classified into a finite number of classes. Each class is defined by a mathematically simple...... canonical model that characterizes crucial dynamical properties, such as mono- and multistationarity and stability of steady states, of all models in the class. We show that if the core model does not have conservation laws, then the introduction of intermediates does not change the steady...

Formation and decay of the intermediate quasistationary ion N-2 during charge exchange between fast H- ions and nitrogen molecules

International Nuclear Information System (INIS)

Kazanskii, A.K.

1984-01-01

The detachment of the electron from the H - ion during a collision with the nitrogen molecule at 1--6 keV occurs as a result of charge transfer to an unstable intermediate state of the molecular ion N - 2 and the subsequent decay of the ion. The formation process is described in the impulse approximation, and the motion of nuclei in the ion is treated quasiclassically. Expressions are obtained for the spectrum of emitted electrons and for the energy-loss spectrum of heavy particles. These expressions relate the spectra to the cross sections for the vibrational excitation of N 2 by electron impact. A convenient expression for the amplitude for the formation of the intermediate state is obtained in the ''boomerang'' model, and it is shown that one of the parameters, considered to be adjustable in traditional theory, can be calculated

Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines

Energy Technology Data Exchange (ETDEWEB)

Booth, Corwin H.; Kazhdan, Daniel; Werkema, Evan L.; Walter, Marc D.; Lukens, Wayne W.; Bauer, Eric D.; Hu, Yung-Jin; Maron, Laurent; Eisenstein, Odile; Head-Gordon, Martin; Andersen, Richard A.

2011-01-25

Multiconfigurational, intermediate valent ground states are established in several methyl-substituted bipyridine complexes of bispentamethylcyclopentadienylytterbium, Cp*{sub 2} Yb(Me{sub x}-bipy). In contrast to Cp*{sub 2} Yb(bipy) and other substituted-bipy complexes, the nature of both the ground state and the first excited state are altered by changing the position of the methyl or dimethyl substitutions on the bipyridine rings. In particular, certain substitutions result in multiconfigurational, intermediate valent open-shell singlet states in both the ground state and the first excited state. These conclusions are reached after consideration of single-crystal x-ray diffraction (XRD), the temperature dependence of x-ray absorption near-edge structure (XANES), extended x-ray absorption fine-structure (EXAFS), and magnetic susceptibility data, and are supported by CASSCF-MP2 calculations. These results place the various Cp*{sub 2}Yb(bipy) complexes in a new tautomeric class, that is, intermediate-valence tautomers.

Diatomic interaction potential theory applications

CERN Document Server

Goodisman, Jerry

2013-01-01

Diatomic Interaction Potential Theory, Volume 2: Applications discusses the variety of applicable theoretical material and approaches in the calculations for diatomic systems in their ground states. The volume covers the descriptions and illustrations of modern calculations. Chapter I discusses the calculation of the interaction potential for large and small values of the internuclear distance R (separated and united atom limits). Chapter II covers the methods used for intermediate values of R, which in principle means any values of R. The Hartree-Fock and configuration interaction schemes des

On the theory of direct reactions with many particle final states

International Nuclear Information System (INIS)

Trautmann, D.; Baur, G.

1977-01-01

We study the theory of direct reactions with many particle final states. First, we concentrate on the DWBA formulation of the break-up of deuterons on heavy nuclei below the Coulomb barrier. Because there are no free parameters, this permits a clean test of the theory by comparing it to the experimental data. The agreement is very good. The theory is applied to the break-up of antideuteronic atoms. Then the effect of virtual deuteron break-up on Rutherford scattering is studied. It is small, but it seems to be measurable. Also the deuteron break-up above the Coulomb barrier can be well explained theoretically. In this context, small effects are studied briefly. A semiclassical theory of the break-up process is given, which results in an intuitive picture and a fast computational method. Our theory lends itself in a natural way to the study of stripping reactions to unbound states. The relation of stripping into the continuum to elastic scattering of the transferred particle on the same target nucleus is explained. Then the connection of stripping to bound and unbound states is established. Finally various examples of stripping of uncharged and charged particles into the continuum are given to illustrate the theory. Resonance wave functions describing the transferred particle are discussed. In a conclusion an outlook for possible future developments of experiment and theory is given. (author)

Is the ground state of Yang-Mills theory Coulombic?

OpenAIRE

Heinzl, Thomas; Ilderton, Anton; Langfeld, Kurt; Lavelle, Martin; Lutz, Wolfgang; McMullan, David

2008-01-01

We study trial states modelling the heavy quark-antiquark ground state in SU(2) Yang-Mills theory. A state describing the flux tube between quarks as a thin string of glue is found to be a poor description of the continuum ground state; the infinitesimal thickness of the string leads to UV artifacts which suppress the overlap with the ground state. Contrastingly, a state which surrounds the quarks with non-abelian Coulomb fields is found to have a good overlap with the ground state for all ch...

Positron scattering by atomic hydrogen at intermediate energies

International Nuclear Information System (INIS)

Higgins, K.; Burke, P.G.; Walters, H.R.J.

1990-01-01

Results of an accurate calculation based upon the intermediate energy R-matrix theory are reported for elastic scattering of positrons by atomic hydrogen. T-matrix elements for both low and intermediate energy scattering are evaluated for the S e , P o , D e and F o partial wave symmetries. The low-energy elastic phaseshifts are found to be in good agreement with previous accurate variational calculations. Using an optical potential approach to include the effect of the higher partial waves, elastic and total cross sections are presented for energies ranging from near threshold to 3.7 Rydbergs. (author)

Switching between dynamic states in intermediate-length Josephson junctions

DEFF Research Database (Denmark)

Pagano, S.; Sørensen, Mads Peter; Parmentier, R. D.

1986-01-01

The appearance of zero-field steps (ZFS’s) in the current-voltage characteristics of intermediate-length overlap-geometry Josephson tunnel junctions described by a perturbed sine-Gordon equation (PSGE) is associated with the growth of parametrically excited instabilities of the McCumber backgroun...

Toward a Definition of Complexity for Quantum Field Theory States.

Science.gov (United States)

Chapman, Shira; Heller, Michal P; Marrochio, Hugo; Pastawski, Fernando

2018-03-23

We investigate notions of complexity of states in continuous many-body quantum systems. We focus on Gaussian states which include ground states of free quantum field theories and their approximations encountered in the context of the continuous version of the multiscale entanglement renormalization ansatz. Our proposal for quantifying state complexity is based on the Fubini-Study metric. It leads to counting the number of applications of each gate (infinitesimal generator) in the transformation, subject to a state-dependent metric. We minimize the defined complexity with respect to momentum-preserving quadratic generators which form su(1,1) algebras. On the manifold of Gaussian states generated by these operations, the Fubini-Study metric factorizes into hyperbolic planes with minimal complexity circuits reducing to known geodesics. Despite working with quantum field theories far outside the regime where Einstein gravity duals exist, we find striking similarities between our results and those of holographic complexity proposals.

Churnalism, Cultural (Inter)mediation and Sourcing in Cultural Journalism

DEFF Research Database (Denmark)

Kristensen, Nete Nørgaard

2017-01-01

Taking a point of departure in theories about cultural (inter)mediation, this article provides a theoretical framework for explaining the pervasion of churnalism within the specialised beat of cultural journalism. Compared to other types of journalists, cultural journalists are “journalists...

Bulk Renormalization Group Flows and Boundary States in Conformal Field Theories

Directory of Open Access Journals (Sweden)

John Cardy

2017-08-01

Full Text Available We propose using smeared boundary states $e^{-\\tau H}|\\cal B\\rangle$ as variational approximations to the ground state of a conformal field theory deformed by relevant bulk operators. This is motivated by recent studies of quantum quenches in CFTs and of the entanglement spectrum in massive theories. It gives a simple criterion for choosing which boundary state should correspond to which combination of bulk operators, and leads to a rudimentary phase diagram of the theory in the vicinity of the RG fixed point corresponding to the CFT, as well as rigorous upper bounds on the universal amplitude of the free energy. In the case of the 2d minimal models explicit formulae are available. As a side result we show that the matrix elements of bulk operators between smeared Ishibashi states are simply given by the fusion rules of the CFT.

Quantum scattering theory of a single-photon Fock state in three-dimensional spaces.

Science.gov (United States)

Liu, Jingfeng; Zhou, Ming; Yu, Zongfu

2016-09-15

A quantum scattering theory is developed for Fock states scattered by two-level systems in three-dimensional free space. It is built upon the one-dimensional scattering theory developed in waveguide quantum electrodynamics. The theory fully quantizes the incident light as Fock states and uses a non-perturbative method to calculate the scattering matrix.

Hepatitis A vaccination coverage among adults 18–49 years traveling to a country of high or intermediate endemicity, United States

Science.gov (United States)

Lu, Peng-jun; Byrd, Kathy K.; Murphy, Trudy V.

2018-01-01

Background Since 1996, hepatitis A vaccine (HepA) has been recommended for adults at increased risk for infection including travelers to high or intermediate hepatitis A endemic countries. In 2009, travel outside the United States and Canada was the most common exposure nationally reported for persons with hepatitis A virus (HAV) infection. Objective To assess HepA vaccination coverage among adults 18–49 years traveling to a country of high or intermediate endemicity in the United States. Methods We analyzed data from the 2010 National Health Interview Survey (NHIS), to determine self-reported HepA vaccination coverage (≥1 dose) and series completion (≥2 dose) among persons 18–49 years who traveled, since 1995, to a country of high or intermediate HAV endemicity. Multivariable logistic regression and predictive marginal analyses were conducted to identify factors independently associated with HepA vaccine receipt. Results In 2010, approximately 36.6% of adults 18–49 years reported traveling to high or intermediate hepatitis A endemic countries; among this group unadjusted HepA vaccination coverage was 26.6% compared to 12.7% among non-travelers (P-values hepatitis A endemicity was associated with higher likelihood of HepA vaccination in 2010 among adults 18–49 years, self-reported HepA vaccination coverage was low among adult travelers to these areas. Healthcare providers should ask their patients’ upcoming travel plans and recommend and offer travel related vaccinations to their patients. PMID:23523408

Semiclassical theory of resonance inelastic electron-molecule collisions

International Nuclear Information System (INIS)

Kazanskij, A.K.

1986-01-01

Semiclassical approach to the theory of resonance electron-molecule collisions, unlocal with respect to interatomic distance was developed. Two problems were considered: modified adiabatic approach for sigle-pole approximation of R-matrix and Fano-Feshbach-Bardsley theory. It is shown that these problems are similar in semiclassical approximation. A simple equation system with coefficients expressed in quadratures was obtained. It enables to determine amplitudes of all processes (including dissociation adhesion, association ejection, free-free and free-bound transitions) in energetic representation with respect to nucleus vibrations in molecule with allowance for both descrete and continuous spectra of nucleus motion in molecule. Quantitative investigation of the system results to the notion of dynamic energy curve of intermediate state, generalizing the motion of such curve in boomerang theory

Theory of Primary Photoexcitations in Donor-Acceptor Copolymers.

Science.gov (United States)

Aryanpour, Karan; Dutta, Tirthankar; Huynh, Uyen N V; Vardeny, Zeev Valy; Mazumdar, Sumit

2015-12-31

We present a generic theory of primary photoexcitations in low band gap donor-acceptor conjugated copolymers. Because of the combined effects of strong electron correlations and broken symmetry, there is considerable mixing between a charge-transfer exciton and an energetically proximate triplet-triplet state with an overall spin singlet. The triplet-triplet state, optically forbidden in homopolymers, is allowed in donor-acceptor copolymers. For an intermediate difference in electron affinities of the donor and the acceptor, the triplet-triplet state can have a stronger oscillator strength than the charge-transfer exciton. We discuss the possibility of intramolecular singlet fission from the triplet-triplet state, and how such fission can be detected experimentally.

Lifetime enhancement for multiphoton absorption in intermediate band solar cells

International Nuclear Information System (INIS)

Bezerra, Anibal T; Studart, Nelson

2017-01-01

A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p – i–n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell. (paper)

Lifetime enhancement for multiphoton absorption in intermediate band solar cells

Science.gov (United States)

Bezerra, Anibal T.; Studart, Nelson

2017-08-01

A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p-i-n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell.

A phenomenological theory of the pseudogap state

International Nuclear Information System (INIS)

Rice, T.M.; Yang Kaiyu; Zhang Fuchun

2007-01-01

An ansatz is proposed for the coherent part of the single particle Green's function in a doped resonant valence bond (RVB) state by analogy with the form derived by Konik and coworkers for an array of 2-leg Hubbard ladders near half-filling. The parameters of the RVB state are taken from the renormalized mean field theory of Zhang and coworkers for underdoped cuprates. The ansatz shows good agreement with recent angle resolved photoemission on underdoped cuprates and resolves an apparent disagreement with the Luttinger sum rule

Toward a Definition of Complexity for Quantum Field Theory States

Science.gov (United States)

Chapman, Shira; Heller, Michal P.; Marrochio, Hugo; Pastawski, Fernando

2018-03-01

We investigate notions of complexity of states in continuous many-body quantum systems. We focus on Gaussian states which include ground states of free quantum field theories and their approximations encountered in the context of the continuous version of the multiscale entanglement renormalization ansatz. Our proposal for quantifying state complexity is based on the Fubini-Study metric. It leads to counting the number of applications of each gate (infinitesimal generator) in the transformation, subject to a state-dependent metric. We minimize the defined complexity with respect to momentum-preserving quadratic generators which form s u (1 ,1 ) algebras. On the manifold of Gaussian states generated by these operations, the Fubini-Study metric factorizes into hyperbolic planes with minimal complexity circuits reducing to known geodesics. Despite working with quantum field theories far outside the regime where Einstein gravity duals exist, we find striking similarities between our results and those of holographic complexity proposals.

Inequivalent coherent state representations in group field theory

Science.gov (United States)

Kegeles, Alexander; Oriti, Daniele; Tomlin, Casey

2018-06-01

In this paper we propose an algebraic formulation of group field theory and consider non-Fock representations based on coherent states. We show that we can construct representations with an infinite number of degrees of freedom on compact manifolds. We also show that these representations break translation symmetry. Since such representations can be regarded as quantum gravitational systems with an infinite number of fundamental pre-geometric building blocks, they may be more suitable for the description of effective geometrical phases of the theory.

Closed form bound-state perturbation theory

Directory of Open Access Journals (Sweden)

Ollie J. Rose

1980-01-01

Full Text Available The perturbed Schrödinger eigenvalue problem for bound states is cast into integral form using Green's Functions. A systematic algorithm is developed and applied to the resulting equation giving rise to approximate solutions expressed as functions of the given perturbation parameter. As a by-product, convergence radii for the traditional Rayleigh-Schrödinger and Brillouin-Wigner perturbation theories emerge in a natural way.

Inhomogeneous ordered states and translational nature of the gauge group in the Landau continuum theory: II. Applications of the general theory

International Nuclear Information System (INIS)

Braginsky, A. Ya.

2007-01-01

A group theory approach to description of phase transitions to an inhomogeneous ordered state, proposed in the preceding paper, is applied to two problems. First, a theory of the state of a liquid-crystalline smectic type-A phase under the action of uniaxial pressure is developed. Second, a model of strengthening in quasicrystals is constructed. According to the proposed approach, the so-called elastic dislocations always appear during the phase transitions in an inhomogeneous deformed state in addition to static dislocations, which are caused by peculiarities of the crystal growth or by other features in the prehistory of a sample. The density of static dislocations weakly depends on the external factors, whereas the density of elastic dislocations depends on the state. An analogy between the proposed theory of the inhomogeneous ordered state and the quantum-field theory of interaction between material fields is considered. On this basis, the phenomenological Ginzburg-Landau equation for the superconducting state is derived using the principle of locality of the transformation properties of the superconducting order parameter with respect to temporal translations

42 CFR 54a.12 - Treatment of intermediate organizations.

Science.gov (United States)

2010-10-01

... 42 Public Health 1 2010-10-01 2010-10-01 false Treatment of intermediate organizations. 54a.12... CHARITABLE CHOICE REGULATIONS APPLICABLE TO STATES, LOCAL GOVERNMENTS AND RELIGIOUS ORGANIZATIONS RECEIVING... ABUSE PREVENTION AND TREATMENT SERVICES § 54a.12 Treatment of intermediate organizations. If a...

Adaptive Disturbance Tracking Theory with State Estimation and State Feedback for Region II Control of Large Wind Turbines

Science.gov (United States)

Balas, Mark J.; Thapa Magar, Kaman S.; Frost, Susan A.

2013-01-01

A theory called Adaptive Disturbance Tracking Control (ADTC) is introduced and used to track the Tip Speed Ratio (TSR) of 5 MW Horizontal Axis Wind Turbine (HAWT). Since ADTC theory requires wind speed information, a wind disturbance generator model is combined with lower order plant model to estimate the wind speed as well as partial states of the wind turbine. In this paper, we present a proof of stability and convergence of ADTC theory with lower order estimator and show that the state feedback can be adaptive.

Multi-state model for studying an intermediate event using time-dependent covariates: application to breast cancer.

Science.gov (United States)

Meier-Hirmer, Carolina; Schumacher, Martin

2013-06-20

The aim of this article is to propose several methods that allow to investigate how and whether the shape of the hazard ratio after an intermediate event depends on the waiting time to occurrence of this event and/or the sojourn time in this state. A simple multi-state model, the illness-death model, is used as a framework to investigate the occurrence of this intermediate event. Several approaches are shown and their advantages and disadvantages are discussed. All these approaches are based on Cox regression. As different time-scales are used, these models go beyond Markov models. Different estimation methods for the transition hazards are presented. Additionally, time-varying covariates are included into the model using an approach based on fractional polynomials. The different methods of this article are then applied to a dataset consisting of four studies conducted by the German Breast Cancer Study Group (GBSG). The occurrence of the first isolated locoregional recurrence (ILRR) is studied. The results contribute to the debate on the role of the ILRR with respect to the course of the breast cancer disease and the resulting prognosis. We have investigated different modelling strategies for the transition hazard after ILRR or in general after an intermediate event. Including time-dependent structures altered the resulting hazard functions considerably and it was shown that this time-dependent structure has to be taken into account in the case of our breast cancer dataset. The results indicate that an early recurrence increases the risk of death. A late ILRR increases the hazard function much less and after the successful removal of the second tumour the risk of death is almost the same as before the recurrence. With respect to distant disease, the appearance of the ILRR only slightly increases the risk of death if the recurrence was treated successfully. It is important to realize that there are several modelling strategies for the intermediate event and that

1992 Progress report by the Bergen-Oslo Nuclear Theory Team (BONTT)

International Nuclear Information System (INIS)

Csernai, L.P.

1993-06-01

The research reported aims at the theoretical investigation of exotic nuclear phenomena: Exotic scenarios of high energy heavy ion reactions in a wide energy range, primarily above the energies of classical nuclear physics, as well as exotic states of nuclei far off the stability line explored as radioactive beams of low and intermediate energy. The report includes the US NSF - NAVF collaboration agreement in nuclear theory (funding stopped for 1993), the Hung. Acad. of Sci. - NAVF collaboration agreement in nuclear theory, as well as the theoretical studies related to the CERN heavy ion programme

Hepatitis A vaccination coverage among adults 18-49 years traveling to a country of high or intermediate endemicity, United States.

Science.gov (United States)

Lu, Peng-Jun; Byrd, Kathy K; Murphy, Trudy V

2013-05-01

Since 1996, hepatitis A vaccine (HepA) has been recommended for adults at increased risk for infection including travelers to high or intermediate hepatitis A endemic countries. In 2009, travel outside the United States and Canada was the most common exposure nationally reported for persons with hepatitis A virus (HAV) infection. To assess HepA vaccination coverage among adults 18-49 years traveling to a country of high or intermediate endemicity in the United States. We analyzed data from the 2010 National Health Interview Survey (NHIS), to determine self-reported HepA vaccination coverage (≥1 dose) and series completion (≥2 dose) among persons 18-49 years who traveled, since 1995, to a country of high or intermediate HAV endemicity. Multivariable logistic regression and predictive marginal analyses were conducted to identify factors independently associated with HepA vaccine receipt. In 2010, approximately 36.6% of adults 18-49 years reported traveling to high or intermediate hepatitis A endemic countries; among this group unadjusted HepA vaccination coverage was 26.6% compared to 12.7% among non-travelers (P-valuestravel status was an independent predictor of HepA coverage and series completion (both P-valuestravelers, HepA coverage and series completion (≥2 doses) were higher for travelers 18-25 years (prevalence ratios 2.3, 2.8, respectively, P-valuestravelers 26-39 years (prevalence ratios 1.5, 1.5, respectively, P-valuetravelers 40-49 years. Other characteristics independently associated with a higher likelihood of HepA receipt among travelers included Asian race/ethnicity, male sex, never having been married, having a high school or higher education, living in the western United States, having greater number of physician contacts or receipt of influenza vaccination in the previous year. HepB vaccination was excluded from the model because of the significant correlation between receipt of HepA vaccination and HepB vaccination could distort the model

Intermediate mass distribution of the dual resonance pomeron

International Nuclear Information System (INIS)

Chiu, C.B.; Matsuda, S.

1978-01-01

The intermediate mass distribution of the dual resonance pomeron is determined at the one-loop level and it is shown that the mass distribution obtained is remarkably similar to a suitably defined mass distribution in the dual multiperipheral model. Thus it is suggestive to identify the intermediate states of the dual resonance pomeron with multiperipheral processes. (Auth.)

Characterization of particle states in relativistic classical quantum theory

International Nuclear Information System (INIS)

Horwitz, L.P.; Rabin, Y.

1977-02-01

Classical and quantum relativistic mechanics are studied. The notion of a ''particle'' is defined in the classical case and the interpretation of mechanics in space-time is clarified. These notions are carried over to the quantum theory, as much as possible. The relation between the results of Feyman's path integral approach and the theory of Horwitz and Piron is discussed. The ''particle'' interpretation is shown to imply an asymptotic condition for scattering. A general method of constructing the dynamical mass spectrum of composite ''particle'' states is discussed. An interference experiment is proposed to affirm the interpretation and applicability of Stueckelberg type wave functions for actual physical phenomena. Some discussion of the relation of this relativistic quantum theory to Feynman's approach to quantum field theory is also given

Is the ground state of Yang-Mills theory Coulombic?

Science.gov (United States)

Heinzl, T.; Ilderton, A.; Langfeld, K.; Lavelle, M.; Lutz, W.; McMullan, D.

2008-08-01

We study trial states modelling the heavy quark-antiquark ground state in SU(2) Yang-Mills theory. A state describing the flux tube between quarks as a thin string of glue is found to be a poor description of the continuum ground state; the infinitesimal thickness of the string leads to UV artifacts which suppress the overlap with the ground state. Contrastingly, a state which surrounds the quarks with non-Abelian Coulomb fields is found to have a good overlap with the ground state for all charge separations. In fact, the overlap increases as the lattice regulator is removed. This opens up the possibility that the Coulomb state is the true ground state in the continuum limit.

Structural Insights of the Cysteine Protease Heynein from Induction and Characterization of Non-native Intermediate States

Directory of Open Access Journals (Sweden)

Basant K. Patel

2010-12-01

Full Text Available Cysteine proteases are vital to cell physiology and many plants secrete these proteases for defense purposes. Many recent studies have reported unusually high stabilities for several plant cysteine proteases which possibly enable these proteases to function under adverse environmental conditions. Here, we have examined the conformational features of a new plant cysteine protease heynein using spectroscopic tools to understand the basis for its robust functional stability. The studies revealed structural integrity over a wide range of pH (2.5-12.0, temperature (65 oC and urea (8M. However, at pH 2.0, the protein gets acid-unfolded (UA -state with exposed hydrophobic patches, which upon addition of more protons (pH 0.5 or anions (0.5 M KCl and 0.2 M Na2 SO4 yields conformationally distinct refolded intermediates respectively termed: A-, I 1 - and I 2 -states. Strikingly, a high methanol level drives the UA -state into a predominantly -sheet rich conformation (O-state. We observed three-state unfolding kinetics of the I 2 -state by urea, possibly suggesting presence of two domains in the heynein molecule.

Mid-infrared picosecond pump-dump-probe and pump-repump-probe experiments to resolve a ground-state intermediate in cyanobacterial phytochrome Cph1.

Science.gov (United States)

van Wilderen, Luuk J G W; Clark, Ian P; Towrie, Michael; van Thor, Jasper J

2009-12-24

Multipulse picosecond mid-infrared spectroscopy has been used to study photochemical reactions of the cyanobacterial phytochrome photoreceptor Cph1. Different photophysical schemes have been discussed in the literature to describe the pathways after photoexcitation, particularly, to identify reaction phases that are linked to photoisomerisation and electronic decay in the 1566-1772 cm(-1) region that probes C=C and C=O stretching modes of the tetrapyrrole chromophore. Here, multipulse spectroscopy is employed, where, compared to conventional visible pump-mid-infrared probe spectroscopy, an additional visible pulse is incorporated that interacts with populations that are evolving on the excited- and ground-state potential energy surfaces. The time delays between the pump and the dump pulse are chosen such that the dump pulse interacts with different phases in the reaction process. The pump and dump pulses are at the same wavelength, 640 nm, and are resonant with the Pr ground state as well as with the excited state and intermediates. Because the dump pulse additionally pumps the remaining, partially recovered, and partially oriented ground-state population, theory is developed for estimating the fraction of excited-state molecules. The calculations take into account the model-dependent ground-state recovery fraction, the angular dependence of the population transfer resulting from the finite bleach that occurs with linearly polarized intense femtosecond optical excitation, and the partially oriented population for the dump field. Distinct differences between the results from the experiments that use a 1 or a 14 ps dump time favor a branching evolution from S1 to an excited state or reconfigured chromophore and to a newly identified ground-state intermediate (GSI). Optical dumping at 1 ps shows the instantaneous induced absorption of a delocalized C=C stretching mode at 1608 cm(-1), where the increased cross section is associated with the electronic ground-state

Theory of two-photon absorption by exciton states in cubic semiconductors with degenerate valence bands

International Nuclear Information System (INIS)

Nguyen Ai Viet; Nguyen Toan Thang.

1987-06-01

The coefficient of the absorption of two polarized photons is calculated for direct band gap semiconductors with degenerate valence bands. Wannier-Mott exciton states are included in both the intermediate and final states. Numerical calculations are performed for ZnSe and are compared with Sondergeld's experimental and theoretical results. (author). 11 refs, 2 tabs

State-Space Geometry, Statistical Fluctuations, and Black Holes in String Theory

Directory of Open Access Journals (Sweden)

Stefano Bellucci

2014-01-01

Full Text Available We study the state-space geometry of various extremal and nonextremal black holes in string theory. From the notion of the intrinsic geometry, we offer a state-space perspective to the black hole vacuum fluctuations. For a given black hole entropy, we explicate the intrinsic geometric meaning of the statistical fluctuations, local and global stability conditions, and long range statistical correlations. We provide a set of physical motivations pertaining to the extremal and nonextremal black holes, namely, the meaning of the chemical geometry and physics of correlation. We illustrate the state-space configurations for general charge extremal black holes. In sequel, we extend our analysis for various possible charge and anticharge nonextremal black holes. From the perspective of statistical fluctuation theory, we offer general remarks, future directions, and open issues towards the intrinsic geometric understanding of the vacuum fluctuations and black holes in string theory.

Relativistic theory of electron-impact ionization

International Nuclear Information System (INIS)

Rosenberg, Leonard

2010-01-01

A relativistic version of an earlier, non-relativistic, formulation of the theory of ionization of an atomic system by electron impact is presented. With a time-independent resolvent operator taken as the basis for the dynamics, a wave equation is derived for a system with open channels consisting of two positive-energy electrons in an external field generated by the residual ion. Virtual intermediate states can be accounted for by the effective Hamiltonian that appears in the wave equation and which in principle may be constructed perturbatively. The asymptotic form of the wavefunction, modified by the effects of the long-range Coulomb interactions of the two electrons in the external field, is derived. These electrons are constrained, by projection operators which appear naturally in the theory, to propagate in positive-energy states only. The long-range Coulomb effects take the form of phase factors similar to those that are found in the non-relativistic version of the theory. With the boundary conditions established, an integral identity for the ionization amplitude is derived, and used to set up a distorted-wave Born expansion for the transition amplitude involving Coulomb-modified propagating waves.

Self-knowledge and attribution of mental states in Theory of Mind

Directory of Open Access Journals (Sweden)

Skidelsky, Liza

2011-05-01

Full Text Available Many philosophers consider that self-knowledge reflects the particularity that we can know what we think, believe, desire, in a different way in which we know the mental states of other people. This is the claim of an asymmetry between first and third person. Several approaches han been offered in the epistemological literature in order to account for this asymmetry. Nonetheless, unlike the expected compatibility between adjacent fields, the literature related to the attribution and self-attribution of mental states or, in general, what is called Theory of Mind, does not seem either to preserve this asymmetry or the attempt to preserve it undermines the fundamental role of the different Theory of Mind proposals. This paper will show this in two parts. Firstly, it addresses how the asymmetry thesis han been defended in the epistemological literature. The aim of this section is to offer a geography of the different approaches. Secondly, two proposals in Theory of Mind, the theory theory and simulation theory, will be evaluated in order to show why they do not account for the asymmetry thesis, and some of the consequences that would be gather from the attempt to conciliate these Theory of Mind proposals with the epistemological approaches that defend the asymmetry thesis will be analized.

Knot theory and a physical state of quantum gravity

International Nuclear Information System (INIS)

Liko, Tomas; Kauffman, Louis H

2006-01-01

We discuss the theory of knots, and describe how knot invariants arise naturally in gravitational physics. The focus of this review is to delineate the relationship between knot theory and the loop representation of non-perturbative canonical quantum general relativity (loop quantum gravity). This leads naturally to a discussion of the Kodama wavefunction, a state which is conjectured to be the ground state of the gravitational field with positive cosmological constant. This review can serve as a self-contained introduction to loop quantum gravity and related areas. Our intent is to make the paper accessible to a wider audience that may include topologists, knot theorists, and other persons innocent of the physical background to this approach to quantum gravity. (topical review)

Construction of spaces of kinematic quantum states for field theories via projective techniques

International Nuclear Information System (INIS)

Okołów, Andrzej

2013-01-01

We present a method of constructing a space of quantum states for a field theory: given phase space of a theory, we define a family of physical systems each possessing a finite number of degrees of freedom, next we define a space of quantum states for each finite system, finally using projective techniques we organize all these spaces into a space of quantum states which corresponds to the original phase space. This construction is kinematic in this sense that it bases merely on the structure of the phase space of a theory and does not take into account possible constraints on the space. The construction is a generalization of a construction by Kijowski—the latter one is limited to theories of linear phase spaces, while the former one is free of this limitation. The method presented in this paper enables to construct a space of quantum states for the teleparallel equivalent of general relativity. (paper)

The influence of the anisotropic stress state on the intermediate strain properties of granular material

KAUST Repository

Goudarzy, M.

2017-07-20

This paper shows the effect of anisotropic stress state on intermediate strain properties of cylindrical samples containing spherical glass particles. Tests were carried out with the modified resonant column device available at Ruhr-Universität Bochum. Dry samples were subjected to two anisotropic stress states: (a) cell pressure, σ′h, constant and vertical stress, σ′v, increased (stress state GB-I) and (b) σ′v/σ′h equal to 2 (stress state GB-II). The experimental results revealed that the effect of stress state GB-II on the modulus and damping ratio was more significant and obvious than stress state GB-I. The effect of the anisotropic stress state was explained through the impact of confining pressure and anisotropic stress components on the stiffness and damping ratio. The results showed that: (a) G(γ) increased, η(γ) decreased and their strain non-linearity decreased with an increase in the confining pressure component σ′vσ′h; (b) G(γ) decreased, η(γ) increased and their strain non-linearity increased with an increase in the anisotropic stress component, σ′v/σ′h. The analysis of results revealed that reference shear strain was also affected by anisotropic stress state. Therefore, an empirical relationship was developed to predict the reference shear strain, as a function of confining pressure and anisotropic stress components. Additionally, the damping ratio was written as a function of the minimum damping ratio and the reference shear strain.

Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility.

Science.gov (United States)

Jain, Amber; Herman, Michael F; Ouyang, Wenjun; Subotnik, Joseph E

2015-10-07

We provide an in-depth investigation of transmission coefficients as computed using the augmented-fewest switches surface hopping algorithm in the low energy regime. Empirically, microscopic reversibility is shown to hold approximately. Furthermore, we show that, in some circumstances, including decoherence on top of surface hopping calculations can help recover (as opposed to destroy) oscillations in the transmission coefficient as a function of energy; these oscillations can be studied analytically with semiclassical scattering theory. Finally, in the spirit of transition state theory, we also show that transmission coefficients can be calculated rather accurately starting from the curve crossing point and running trajectories forwards and backwards.

Slowly varying dilaton cosmologies and their field theory duals

International Nuclear Information System (INIS)

Awad, Adel; Das, Sumit R.; Ghosh, Archisman; Oh, Jae-Hyuk; Trivedi, Sandip P.

2009-01-01

We consider a deformation of the AdS 5 xS 5 solution of IIB supergravity obtained by taking the boundary value of the dilaton to be time dependent. The time dependence is taken to be slowly varying on the anti-de Sitter (AdS) scale thereby introducing a small parameter ε. The boundary dilaton has a profile which asymptotes to a constant in the far past and future and attains a minimum value at intermediate times. We construct the supergravity (sugra) solution to first nontrivial order in ε, and find that it is smooth, horizon-free, and asymptotically AdS 5 xS 5 in the far future. When the intermediate values of the dilaton becomes small enough the curvature becomes of order the string scale and the sugra approximation breaks down. The resulting dynamics is analyzed in the dual SU(N) gauge theory on S 3 with a time dependent coupling constant which varies slowly. When Nε 5 xS 5 again. When Nε>>1, we formulate a classical adiabatic perturbation theory based on coherent states which arises in the large N limit. For large values of the 't Hooft coupling this reproduces the supergravity results. For small 't Hooft coupling the coherent state calculations become involved and we cannot reach a definite conclusion. We argue that the final state should have a dual description which is mostly smooth AdS 5 space with the possible presence of a small black hole.

Nuclear structure theory. Technical progress report, September 1, 1982-August 31, 1984

International Nuclear Information System (INIS)

French, J.B.; Koltun, D.S.

1984-01-01

Research progress is reported. Spectral Averaging studies are outlined including the theory of level densities for interacting nucleons, the properties of single-particle nuclear excitations, spectral distributions for fixed symmetries, and applications to the secular behavior of fluctuation measures in complex nuclei. Collective States research is described, in particular the boson-fermion symmetries which are related to the U(5) limit of the interacting boson model. Nuclear Reaction studies are described including the statistical theory of pion absorption, direct reactions at intermediate energies, and the properties of the off-shell πN t-matrix. Progress is reported on the quark theory of nuclear matter and the construction of models for a Fermi fluid which, near the nuclear ground state, is a fluid of nucleons composed of quarks, and, at high densities or temperatures, is a quark fluid. Applications of formal scattering theory to the study of phase-conjugate optics are discussed. Publications are listed

Entitlement theory of justice and end-state fairness in the allocation of goods

OpenAIRE

Ju, Biung-Ghi; Moreno-Ternero, Juan D.

2016-01-01

Robert Nozick allegedly introduced his liberal theory of private ownership as an objection to theories of end-state justice. Nevertheless, we show that, in a stylized framework for the allocation of goods in joint ventures, both approaches can be seen as complementary. More precisely, in such a context, self-ownership (the basis for Nozick's entitlement theory of justice) followed by voluntary transfer (Nozick's principle of just transfer) can lead to end-state fairness (as well as Pareto eff...

Restrictions on the masses and coupling constants of excited intermediate bosons

International Nuclear Information System (INIS)

Kaidalov, A.B.; Nogteva, A.V.

1985-01-01

The properties of the intermediate bosons are discussed in the framework of composite models which include not only the W +- and Z 0 bosons but also their excited states with large masses. The influence of the excited states on the values of the masses of the W +- and Z 0 bosons is investigated. Restrictions on the masses and coupling constants of the excited intermediate bosons are obtained

Solid State Theory An Introduction

CERN Document Server

Rössler, Ulrich

2009-01-01

Solid-State Theory - An Introduction is a textbook for graduate students of physics and material sciences. It stands in the tradition of older textbooks on this subject but takes up new developments in theoretical concepts and materials which are connected with such path breaking discoveries as the Quantum-Hall Effects, the high-Tc superconductors, and the low-dimensional systems realized in solids. Thus besides providing the fundamental concepts to describe the physics of electrons and ions of which the solid consists, including their interactions and the interaction with light, the book casts a bridge to the experimental facts and opens the view into current research fields.

Target continuum distorted-wave theory for collisions of fast protons with atomic hydrogen

International Nuclear Information System (INIS)

Crothers, D.S.F.; Dunseath, K.M.

1990-01-01

By considering the target continuum distorted-wave (TCDW) theory as the high-energy limit of the half-way house variational continuum distorted-wave theory, it is shown not only that there is no intermediate elastic divergence but also that the second-order amplitude based on a purely elastic intermediate state is of order υ -6 and is thus negligible. The residual inelastic TCDW theory is developed to second-order at high velocities. It is used to describe charge exchange during collisions of fast protons with atomic hydrogen. Using an on-shell peaking approximation and considering 1s-1s capture it is shown that the residual purely second-order transition amplitude comprises two terms, one real term of order υ -6 and one purely imaginary term of order υ -7 ln υ. At 5 MeV laboratory energy, it is shown that these are negligible. It is also shown that the υ -5 first-order term gives a differential cross section in very good agreement with an experiment at all angles including forward, interference minimum, Thomas maximum and large angles, particularly having folded our theory over experimental resolution. (author)

A Case for Intermediate Exchange-Rate Regimes

OpenAIRE

Agnès Bénassy-Quéré; Véronique Salins

2010-01-01

Despite increasing capital mobility and the subsequent difficulty in controlling exchange rates, intermediate exchange-rate regimes have remained widespread, especially in emerging and developing economies. This piece of evidence hardly fits the "impossible Trinity" theory arguing that it becomes difficult to control the exchange rate without a "hard" device when capital flows are freed. Calvo and Reinhart (2000) have suggested several explanations for such "fear of floating": exchange rate p...

Scattering Theory on Surface Majorana Fermions by an Impurity in ^{3}He-B.

Science.gov (United States)

Tsutsumi, Yasumasa

2017-04-07

We have formulated the scattering theory on Majorana fermions emerging in the surface bound state of the superfluid ^{3}He B phase (^{3}He-B) by an impurity. By applying the theory to the electron bubble, which is regarded as the impurity, trapped below a free surface of ^{3}He-B, the observed mobility of the electron bubble [J. Phys. Soc. Jpn. 82, 124607 (2013)JUPSAU0031-901510.7566/JPSJ.82.124607] is quantitatively reproduced. The mobility is suppressed in low temperatures from the expected value in the bulk ^{3}He-B by the contribution from the surface Majorana fermions. By contrast, the mobility does not depend on the trapped depth of the electron bubble in spite of the spatial variation of the wave function of the surface Majorana fermions. Our formulated theory demonstrates the depth-independent mobility by considering intermediate states in the scattering process. Therefore, we conclude that the experiment has succeeded in observing Majorana fermions in the surface bound state.

Theoretical research in intermediate energy nuclear physics: Final report

International Nuclear Information System (INIS)

Seki, R.

1987-01-01

This paper discusses the progress that has been made on the following problems: a numerical calculation of Skyrmiron scattering; (e,e'p) at high momentum transfer; spin-orbit nucleon-nucleon potential from Skyrme model; pionic atom anomaly; and field theory problems. The problems deal with various topics in intermediate-energy nuclear physics

Quasielastic 3Hp and 3Hep scattering at intermediate energies and Glauber sum rules

International Nuclear Information System (INIS)

Blinov, A.V.; Vanyushin, I.A.; Grechko, V.E.

1984-01-01

Differential cross sections and average energy losses of fast protons in reactions p +3 H→psub(F)+X and p+ 3 He → psub(F)+X are studied making use of the ITEP liquid hydrogen bubble chamber of 80-cm diameter exposed to 2.5-GeV/c tritium nuclei (the kinetic energy of the incident protons in the nucleus rest frame Tsub(p)=0.318 GeV) and to 5-GeV/c 3 He nuclei (Tsub(p)=0.978 GeV). The experimental results are compared to predictions based on the sum rules for differential cross sections and average energy losses in the Glauber-Sitenko multiple scattering theory using the completeness condition for the wave functions of the nuclear excited states and the locality of the nuclear potential. The theory and the data are in good agreement at momentum of 2.5 GeV/c. Inconsistence between the Glauber sum rule predictions and the 5 GeV/c data is attributed to the Δ-isobar production in the intermediate state. It is found that possible six-quark bag admixture in the 3 H and 3 He nuclei does not exceed 5%

Exceptional thermodynamics. The equation of state of G2 gauge theory

International Nuclear Information System (INIS)

Bruno, Mattia; Panero, Marco; Pellegrini, Roberto

2014-10-01

We present a lattice study of the equation of state in Yang-Mills theory based on the exceptional G 2 gauge group. As is well-known, at zero temperature this theory shares many qualitative features with real-world QCD, including the absence of colored states in the spectrum and dynamical string breaking at large distances. In agreement with previous works, we show that at finite temperature this theory features a first-order deconfining phase transition, whose nature can be studied by a semi-classical computation. We also show that the equilibrium thermodynamic observables in the deconfined phase bear striking quantitative similarities with those found in SU(N) gauge theories: in particular, these quantities exhibit nearly perfect proportionality to the number of gluon degrees of freedom, and the trace anomaly reveals a characteristic quadratic dependence on the temperature, also observed in SU(N) Yang-Mills theories (both in four and in three spacetime dimensions). We compare our lattice data with analytical predictions from effective models, and discuss their implications for the deconfinement mechanism and high-temperature properties of strongly interacting, non-supersymmetric gauge theories. Our results give strong evidence for the conjecture that the thermal deconfining transition is governed by a universal mechanism, common to all simple gauge groups.

Malthus’s theory on population as a basis for criticism of the interventionist state

Directory of Open Access Journals (Sweden)

Dokić Marko

2014-01-01

Full Text Available Going by ideological debates concerning (unjustifiable state intervention, protection of individual liberty, and the question of state's role, this article analyses Malthus's theory on population. It states a thesis that theory on population leads Malthus toward the idea of a minimal state and represents a basis for criticism of an interventionist state and its paternalistic role. The article consists of an introduction, four sections and a conclusion. The introduction cites goals of the work and gives basic notes on Malthus's theory on population and its socio-historical context. Special consideration is paid on reasons that lead to desertion of his ideas with a special focus on changes within liberal ideology, that lead to dissociation from classical liberalism and a merging of liberalism with socialism. The first part examines basic principles of Malthus's theory on population - primarily the idea that the population multiply faster than the food supply, and that population, when unchecked, increases in geometrical ratio, while subsistence increases only in arithmetical ratio. Afterwards, this Malthus's idea is linked to the status of the poor, and is concluded that the state intervention is useless, being that the troubles this part of the population faces are a consequence of their own actions. Therefore, the role of the state should not be care for the poor. In the second part positive and preventive checks to population are examined. Preventive checks are further analyzed because Malthus gives them more importance. The third, central part, is dedicated to Malthus's criticism of the Poor Laws and, within it, his opposition to the state's intervention is further analyzed. According to Malthus, laws that are passed in order to improve the status of the poor have an opposite effect. Even though their aim is to decrease poverty, they increase it. Their tendency is to lead to an increase in population, without the simultaneous increase in food

Top predators induce the evolutionary diversification of intermediate predator species.

Science.gov (United States)

Zu, Jian; Yuan, Bo; Du, Jianqiang

2015-12-21

We analyze the evolutionary branching phenomenon of intermediate predator species in a tritrophic food chain model by using adaptive dynamics theory. Specifically, we consider the adaptive diversification of an intermediate predator species that feeds on a prey species and is fed upon by a top predator species. We assume that the intermediate predator׳s ability to forage on the prey can adaptively improve, but this comes at the cost of decreased defense ability against the top predator. First, we identify the general properties of trade-off relationships that lead to a continuously stable strategy or to evolutionary branching in the intermediate predator species. We find that if there is an accelerating cost near the singular strategy, then that strategy is continuously stable. In contrast, if there is a mildly decelerating cost near the singular strategy, then that strategy may be an evolutionary branching point. Second, we find that after branching has occurred, depending on the specific shape and strength of the trade-off relationship, the intermediate predator species may reach an evolutionarily stable dimorphism or one of the two resultant predator lineages goes extinct. Crown Copyright © 2015. Published by Elsevier Ltd. All rights reserved.

Baryonic forces and hyperons in nuclear matter from SU(3) chiral effective field theory

Energy Technology Data Exchange (ETDEWEB)

Petschauer, Stefan Karl

2016-02-12

In this work the baryon-baryon interaction is studied at next-to-leading order in SU(3) chiral effective field theory and applied to hyperon-nucleon scattering. The properties of hyperons in isospin-symmetric as well as asymmetric nuclear matter are calculated within the Bruecker-Hartree-Fock formalism. Moreover, the leading three-baryon interaction is derived and its low-energy constants are estimated from decuplet intermediate states. We conclude, that chiral effective field theory is a well-suited tool to describe the baryonic forces.

The Evolution of Macroeconomic Theory and Implications for Teaching Intermediate Macroeconomics.

Science.gov (United States)

Froyen, Richard T.

1996-01-01

Traces the development of macroeconomic theory from John Maynard Keynes to modern endogenous growth theory. Maintains that a combination of interest in growth theory and related policy questions will play a prominent role in macroeconomics in the future. Recommends narrowing the gap between graduate school and undergraduate economics instruction.…

Future possibilities with intermediate-energy neutron beams

International Nuclear Information System (INIS)

Brady, F.P.

1987-01-01

Future possibilities for using neutrons of intermediate energies (50 - 200 MeV) as a probe of the nucleus are discussed. Some of the recent thinking concerning a systematic approach for studying elastic and inelastic scattering of electrons and hadrons and the important role of medium- and intermediate-energy neutrons in such a programme is reviewed. The advantages of neutrons in this energy range over neutrons with lower energies and over intermediate-energy pions for determining nuclear-transition and ground state densities, and for distinguishing proton from neutron density (isovector sensitivity), are noted. The important role of (n,p) charge exchange reactions in nuclear excitation studies is also reviewed. Experimental methods for utilizing neutrons as probes in elastic, inelastic, and charge exchange studies at these energies are discussed

Hepatitis B vaccination coverage among adults aged ≥18 years traveling to a country of high or intermediate endemicity, United States, 2015.

Science.gov (United States)

Lu, Peng-Jun; O'Halloran, Alissa C; Williams, Walter W; Nelson, Noele P

2018-04-28

Persons from the United States who travel to developing countries are at substantial risk for hepatitis B virus (HBV) infection. Hepatitis B vaccine has been recommended for adults at increased risk for infection, including travelers to high or intermediate hepatitis B endemic countries. To assess hepatitis B vaccination coverage among adults ≥18 years traveling to a country of high or intermediate endemicity from the United States. Data from the 2015 National Health Interview Survey (NHIS) were analyzed to determine hepatitis B vaccination coverage (≥1 dose) and series completion (≥3 doses) among persons aged ≥18 years who reported traveling to a country of high or intermediate hepatitis B endemicity. Multivariable logistic regression and predictive marginal analyses were conducted to identify factors independently associated with hepatitis B vaccination. In 2015, hepatitis B vaccination coverage (≥1 dose) among adults aged ≥18 years who reported traveling to high or intermediate hepatitis B endemic countries was 38.6%, significantly higher compared with 25.9% among non-travelers. Series completion (≥3 doses) was 31.7% and 21.2%, respectively (P travel status was significantly associated with hepatitis B vaccination coverage and series completion. Other characteristics independently associated with vaccination (≥1 dose, and ≥3 doses) among travelers included age, race/ethnicity, educational level, duration of US residence, number of physician contacts in the past year, status of ever being tested for HIV, and healthcare personnel status. Although travel to a country of high or intermediate hepatitis B endemicity was associated with higher likelihood of hepatitis B vaccination, hepatitis B vaccination coverage was low among adult travelers to these areas. Healthcare providers should ask their patients about travel plans and recommend and offer travel related vaccinations to their patients or refer them to alternate sites for vaccination

Warfarin traps human vitamin K epoxide reductase in an intermediate state during electron transfer

Science.gov (United States)

Shen, Guomin; Cui, Weidong; Zhang, Hao; Zhou, Fengbo; Huang, Wei; Liu, Qian; Yang, Yihu; Li, Shuang; Bowman, Gregory R.; Sadler, J. Evan; Gross, Michael L.; Li, Weikai

2017-01-01

Although warfarin is the most widely used anticoagulant worldwide, the mechanism by which warfarin inhibits its target, human vitamin K epoxide reductase (hVKOR), remains unclear. Here we show that warfarin blocks a dynamic electron-transfer process in hVKOR. A major fraction of cellular hVKOR is at an intermediate redox state of this process containing a Cys51-Cys132 disulfide, a characteristic accommodated by a four-transmembrane-helix structure of hVKOR. Warfarin selectively inhibits this major cellular form of hVKOR, whereas disruption of the Cys51-Cys132 disulfide impairs warfarin binding and causes warfarin resistance. Relying on binding interactions identified by cysteine alkylation footprinting and mass spectrometry coupled with mutagenesis analysis, we are able to conduct structure simulations to reveal a closed warfarin-binding pocket stabilized by the Cys51-Cys132 linkage. Understanding the selective warfarin inhibition of a specific redox state of hVKOR should enable the rational design of drugs that exploit the redox chemistry and associated conformational changes in hVKOR. PMID:27918545

Structure of a low-population intermediate state in the release of an enzyme product.

Science.gov (United States)

De Simone, Alfonso; Aprile, Francesco A; Dhulesia, Anne; Dobson, Christopher M; Vendruscolo, Michele

2015-01-09

Enzymes can increase the rate of biomolecular reactions by several orders of magnitude. Although the steps of substrate capture and product release are essential in the enzymatic process, complete atomic-level descriptions of these steps are difficult to obtain because of the transient nature of the intermediate conformations, which makes them largely inaccessible to standard structure determination methods. We describe here the determination of the structure of a low-population intermediate in the product release process by human lysozyme through a combination of NMR spectroscopy and molecular dynamics simulations. We validate this structure by rationally designing two mutations, the first engineered to destabilise the intermediate and the second to stabilise it, thus slowing down or speeding up, respectively, product release. These results illustrate how product release by an enzyme can be facilitated by the presence of a metastable intermediate with transient weak interactions between the enzyme and product.

Thermal Conductivity of Superconductors in the Intermediate State: Size Effect in a Longitudinal Lamellar Structure

International Nuclear Information System (INIS)

Suter, J.M.; Rinderer, L.

1978-01-01

The thermal conductivity of type I superconductors has been measured in a well-defined, optically controlled intermediate-state configuration the so-called longitudinal lamellar structure (LLS). A regular arrangement of alternating normal and superconducting lamellas is obtained in an elongated plate by applying the magnetic field obliquely (following Sharvin) and decreasing it from the critical values. The heat current is set parallel to the lamellas. Due to the peculiar reflection law governing the quasiparticle reflections at a normal-superconductor interphase boundary, the thermal conductivity of the LLS is reduced when the electronic mean free path is larger than or comparable to the width of the lamellas. As first pointed out by Andreev, the reflection occurs with vecotr-momentum conservation, and only the quasiparticles moving nearly parallel to the lamellas can transport heat efficiently. The corresponding reduction of the thermal conductivity is a size effect.Systematic measurements of the thermal conductivity of the LLS in high-purity lead and tin are interpreted in terms of the size-effect model. The parameters of the model were experimentally determined in a preliminary study, to enable an unambiguous comparison with the theory. In particular, the geometrical aspects of the structures were studied using a magnetooptical technique. Interesting results on the characteristics of the LLS were obtained. The thermal conductivity data on lead essentially confirm the size-effect description. In tin heat transport by the lamellas of both types takes place, the heat carriers being the electrons (T > or approx. = 1.6 K). The discrepancy between the predictions of the size-effect model and the observed values in tin are attributed to an oversimplified calculation of the contribution of the superconducting lamellas to the conductivity

Coherent states field theory in supramolecular polymer physics

Science.gov (United States)

Fredrickson, Glenn H.; Delaney, Kris T.

2018-05-01

In 1970, Edwards and Freed presented an elegant representation of interacting branched polymers that resembles the coherent states (CS) formulation of second-quantized field theory. This CS polymer field theory has been largely overlooked during the intervening period in favor of more conventional "auxiliary field" (AF) interacting polymer representations that form the basis of modern self-consistent field theory (SCFT) and field-theoretic simulation approaches. Here we argue that the CS representation provides a simpler and computationally more efficient framework than the AF approach for broad classes of reversibly bonding polymers encountered in supramolecular polymer science. The CS formalism is reviewed, initially for a simple homopolymer solution, and then extended to supramolecular polymers capable of forming reversible linkages and networks. In the context of the Edwards model of a non-reacting homopolymer solution and one and two-component models of telechelic reacting polymers, we discuss the structure of CS mean-field theory, including the equivalence to SCFT, and show how weak-amplitude expansions (random phase approximations) can be readily developed without explicit enumeration of all reaction products in a mixture. We further illustrate how to analyze CS field theories beyond SCFT at the level of Gaussian field fluctuations and provide a perspective on direct numerical simulations using a recently developed complex Langevin technique.

Thermodynamic approach to the inelastic state variable theories

International Nuclear Information System (INIS)

Dashner, P.A.

1978-06-01

A continuum model is proposed as a theoretical foundation for the inelastic state variable theory of Hart. The model is based on the existence of a free energy function and the assumption that a strained material element recalls two other local configurations which are, in some specified manner, descriptive of prior deformation. A precise formulation of these material hypotheses within the classical thermodynamical framework leads to the recovery of a generalized elastic law and the specification of evolutionary laws for the remembered configurations which are frame invariant and formally valid for finite strains. Moreover, the precise structure of Hart's theory is recovered when strains are assumed to be small

Theory of ground state factorization in quantum cooperative systems.

Science.gov (United States)

Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio

2008-05-16

We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows us to determine rigorously the existence, location, and exact form of separable ground states in a large variety of, generally nonexactly solvable, spin models belonging to different universality classes. The theory applies to translationally invariant systems, irrespective of spatial dimensionality, and for spin-spin interactions of arbitrary range.

Local density approximation for exchange in excited-state density functional theory

OpenAIRE

Harbola, Manoj K.; Samal, Prasanjit

2004-01-01

Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate excitation energies.

Nuclear spin-orbit splitting from an intermediate Δ excitation

International Nuclear Information System (INIS)

Ohta, K.; Terasawa, T.; Tohyama, M.

1980-01-01

The strength of the single particle spin-orbit potential is calculated from the two pion exchange box diagrams involving an intermediate Δ(1232) resonance excitation by taking account of the exclusion principle for the intermediate nucleon states. The effect of the rho meson is also considered. The predicted strength is found to account for a substantial part of the empirical spin-orbit splittings

Variational transition-state theory. Progress report, February 1981-January 1983

International Nuclear Information System (INIS)

Truhlar, D.G.

1983-01-01

During the past two years we have extended the variational transition-state theory in several ways. Especially notable is that we have developed several new methods for calculating tunneling probabilities, including two general techniques applicable to systems with small and large reaction-path curvature. We have tested these methods successfully against accurate quantal calculations, and we have applied them to real systems in three dimensions. We have also developed general algorithms for variational transition state theory calculations on polyatomic systems and we have applied these to the combustion reaction OH + H 2 → H 2 O + H. We have developed and successfully applied a statistical-diabatic theory for state-selected rates. We made a totally ab initio prediction of an absolute chemical reaction rate, for the reaction Mu + H 2 → MuH + H, using an accurate potential energy surface and ethods that we had demonstrated to be reliable by tests against accurate quantal collinear results. This prediction has now been confirmed by unpublished experiments; I believe that this is the first reliable ab initio prediction of a chemical rection rate prior to its measurement. In the rest of this technical progress report we give further details of these and other studies we have carried out in the last two years under this contract

Three-charge black holes and quarter BPS states in Little String Theory

Energy Technology Data Exchange (ETDEWEB)

Giveon, Amit [Racah Institute of Physics, The Hebrew University,Jerusalem, 91904 (Israel); Harvey, Jeffrey; Kutasov, David; Lee, Sungjay [Enrico Fermi Institute and Department of Physics, The University of Chicago,5620 S. Ellis Av., Chicago, Illinois 60637 (United States)

2015-12-22

We show that the system of k NS5-branes wrapping T{sup 4}×S{sup 1} has non-trivial vacuum structure. Different vacua have different spectra of 1/4 BPS states that carry momentum and winding around the S{sup 1}. In one vacuum, such states are described by black holes; in another, they can be thought of as perturbative BPS states in Double Scaled Little String Theory. In general, both kinds of states are present. We compute the degeneracy of perturbative BPS states exactly, and show that it differs from that of the corresponding black holes. We comment on the implication of our results to the black hole microstate program, UV/IR mixing in Little String Theory, string thermodynamics, the string/black hole transition, and other issues.

Should we give up on the State? Feminist theory, African gender ...

African Journals Online (AJOL)

Transitional Justice, scholars have examined in very thoughtful ways the relationship of feminism and feminist theory to the field of transitional justice and post-conflict. This article examines some of this work and suggests ways that we might build on these insights by working more with feminist theories of the state, feminist ...

Partially folded intermediates during trypsinogen denaturation

Directory of Open Access Journals (Sweden)

Martins N.F.

1999-01-01

Full Text Available The equilibrium unfolding of bovine trypsinogen was studied by circular dichroism, differential spectra and size exclusion HPLC. The change in free energy of denaturation was = 6.99 ± 1.40 kcal/mol for guanidine hydrochloride and = 6.37 ± 0.57 kcal/mol for urea. Satisfactory fits of equilibrium unfolding transitions required a three-state model involving an intermediate in addition to the native and unfolded forms. Size exclusion HPLC allowed the detection of an intermediate population of trypsinogen whose Stokes radii varied from 24.1 ± 0.4 Å to 26.0 ± 0.3 Å for 1.5 M and 2.5 M guanidine hydrochloride, respectively. During urea denaturation, the range of Stokes radii varied from 23.9 ± 0.3 Å to 25.7 ± 0.6 Å for 4.0 M and 6.0 M urea, respectively. Maximal intrinsic fluorescence was observed at about 3.8 M urea with 8-aniline-1-naphthalene sulfonate (ANS binding. These experimental data indicate that the unfolding of bovine trypsinogen is not a simple transition and suggest that the equilibrium intermediate population comprises one intermediate that may be characterized as a molten globule. To obtain further insight by studying intermediates representing different stages of unfolding, we hope to gain a better understanding of the complex interrelations between protein conformation and energetics.

Semi-classical approaches to the phase space evolutions in intermediate energy heavy ion collisions

Energy Technology Data Exchange (ETDEWEB)

Remaud, B; Sebille, F; Raffray, Y; Gregoire, C; Vinet, L

1986-01-06

The properties of semi-classical phase space evolution equations - as the Vlasov/Boltzmann equations - are discussed in the context of the heavy ion reaction theory at intermediate energies (from 10 to 100 MeV per nucleon). The generalized coherent state set is shown to form a (over) complete basis for the phase space; then every solution of the Vlasov/Boltzmann equations can be defined as a convolution product of the generalized coherent state basis by an appropriate weight function w. The uniform approximation for w is shown to provide an accurate semi-classical description of fermion systems in their ground state: the examples of fermions in a harmonic well and of cold nuclei are discussed. The solution of the Vlasov equation amounts to follow the time evolution of the coherent states which play the role of a moving basis. For the Boltzmann equation, the collision term is taken into account by explicit or implicit variations of the function w. Typical applications are discussed: nuclear response to the giant monopole resonance excitation, fast nucleon emission in heavy-ion reactions. (orig.).

Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory.

Science.gov (United States)

Bao, Junwei Lucas; Zheng, Jingjing; Truhlar, Donald G

2016-03-02

Pressure-dependent reactions are ubiquitous in combustion and atmospheric chemistry. We employ a new calibration procedure for quantum Rice-Ramsperger-Kassel (QRRK) unimolecular rate theory within a chemical activation mechanism to calculate the pressure-falloff effect of a radical association with an aromatic ring. The new theoretical framework is applied to the reaction of H with toluene, which is a prototypical reaction in the combustion chemistry of aromatic hydrocarbons present in most fuels. Both the hydrogen abstraction reactions and the hydrogen addition reactions are calculated. Our system-specific (SS) QRRK approach is adjusted with SS parameters to agree with multistructural canonical variational transition state theory with multidimensional tunneling (MS-CVT/SCT) at the high-pressure limit. The new method avoids the need for the usual empirical estimations of the QRRK parameters, and it eliminates the need for variational transition state theory calculations as a function of energy, although in this first application we do validate the falloff curves by comparing SS-QRRK results without tunneling to multistructural microcanonical variational transition state theory (MS-μVT) rate constants without tunneling. At low temperatures, the two approaches agree well with each other, but at high temperatures, SS-QRRK tends to overestimate falloff slightly. We also show that the variational effect is important in computing the energy-resolved rate constants. Multiple-structure anharmonicity, torsional-potential anharmonicity, and high-frequency-mode vibrational anharmonicity are all included in the rate computations, and torsional anharmonicity effects on the density of states are investigated. Branching fractions, which are both temperature- and pressure-dependent (and for which only limited data is available from experiment), are predicted as a function of pressure.

Hypnosis, suggestions, and altered states of consciousness: experimental evaluation of the new cognitive-behavioral theory and the traditional trance-state theory of "hypnosis".

Science.gov (United States)

Barber, T X; Wilson, S C

1977-10-07

Sixty-six subjects were tested on a new scale for evaluating "hypnotic-like" experiences (The Creative Imagination Scale), which includes ten standardized test-suggestions (e.g. suggestions for arm heaviness, finger anesthesia, time distortion, and age regression). The subjects were randomly assigned to one of three treatment groups (Think-With Instructions, trance induction, and Control), with 22 subjects to each group. The new Cognitive-Behavioral Theory predicted that subjects exposed to preliminary instructions designed to demonstrate how to think and imagine along with the suggested themes (Think-With Instructions) would be more responsive to test-suggestions for anesthesia, time distortion, age regression, and so on, than subjects exposed to a trance-induction procedure. On the other hand, the traditional Trance State Theory predicted that a trance induction would be more effective than Think-With Instructions in enhancing responses to such suggestions. Subjects exposed to the Think-With Instructions obtained significantly higher scores on the test-suggestions than those exposed either to the traditional trance-induction procedure or to the control treatment. Scores of subjects who received the trance-induction procedure were not significantly different from those of the subjects who received the control treatment. The results thus supported the new Cognitive-Behavioral Theory and contradicted the traditional Trance State Theory of hypnosis. Two recent experiments, by De Stefano and by Katz, confirmed the above experimental results and offered further support for the Cognitive-Behavioral Theory. In both recent experiments, subjects randomly assigned to a "Think-With Instructions" treatment were more responsive to test-suggestions than those randomly assigned to a traditional trance-induction treatment.

Stepwise expansion of the bacteriophage ϕ6 procapsid: possible packaging intermediates.

Science.gov (United States)

Nemecek, Daniel; Cheng, Naiqian; Qiao, Jian; Mindich, Leonard; Steven, Alasdair C; Heymann, J Bernard

2011-11-25

The initial assembly product of bacteriophage ϕ6, the procapsid, undergoes major structural transformation during the sequential packaging of its three segments of single-stranded RNA. The procapsid, a compact icosahedrally symmetric particle with deeply recessed vertices, expands to the spherical mature capsid, increasing the volume available to accommodate the genome by 2.5-fold. It has been proposed that expansion and packaging are linked, with each stage in expansion presenting a binding site for a particular RNA segment. To investigate procapsid transformability, we induced expansion by acidification, heating, and elevated salt concentration. Cryo-electron microscopy reconstructions after all three treatments yielded the same partially expanded particle. Analysis by cryo-electron tomography showed that all vertices of a given capsid were either in a compact or an expanded state, indicating a highly cooperative transition. To benchmark the mature capsid, we analyzed filled (in vivo packaged) capsids. When these particles were induced to release their RNA, they reverted to the same intermediate state as expanded procapsids (intermediate 1) or to a second, further expanded state (intermediate 2). This partial reversibility of expansion suggests that the mature spherical capsid conformation is obtained only when sufficient outward pressure is exerted by packaged RNA. The observation of two intermediates is consistent with the proposed three-step packaging process. The model is further supported by the observation that a mutant capable of packaging the second RNA segment without previously packaging the first segment has enhanced susceptibility for switching spontaneously from the procapsid to the first intermediate state. Published by Elsevier Ltd.

Variation of equation of state parameters in the Mg2(Si 1-xSnx) alloys

KAUST Repository

Pulikkotil, Jiji Thomas Joseph; Alshareef, Husam N.; Schwingenschlö gl, Udo

2010-01-01

Thermoelectric performance peaks up for intermediate Mg2(Si 1-x:Snx) alloys, but not for isomorphic and isoelectronic Mg2(Si1-xGex) alloys. A comparative study of the equation of state parameters is performed using density functional theory, Green

A conformal field theory description of fractional quantum Hall states

NARCIS (Netherlands)

Ardonne, E.

2002-01-01

In this thesis, we give a description of fractional quantum Hall states in terms of conformal field theory (CFT). As was known for a long time, the Laughlin states could be written in terms of correlators of chiral vertex operators of a c=1 CFT. It was shown by G. Moore and N. Read that more general

Matrix elements of intraband transitions in quantum dot intermediate band solar cells: the influence of quantum dot presence on the extended-state electron wave-functions

International Nuclear Information System (INIS)

Nozawa, Tomohiro; Arakawa, Yasuhiko

2014-01-01

The intraband transitions which are essential for quantum dot intermediate band solar cells (QD IBSCs) are theoretically investigated by estimating the matrix elements from a ground bound state, which is often regarded as an intermediate band (IB), to conduction band (CB) states for a structure with a quantum dot (QD) embedded in a matrix (a QD/matrix structure). We have found that the QD pushes away the electron envelope functions (probability densities) from the QD region in almost all quantum states above the matrix CB minimum. As a result, the matrix elements of the intraband transitions in the QD/matrix structure are largely reduced, compared to those calculated assuming the envelope functions of free electrons (i.e., plane-wave envelope functions) in a matrix structure as the final states of the intraband transitions. The result indicates the strong influence of the QD itself on the intraband transitions from the IB to the CB states in QD IBSC devices. This work will help in better understanding the problem of the intraband transitions and give new insight, that is, engineering of quantum states is indispensable for the realization of QD IBSCs with high solar energy conversion efficiencies. (paper)

Quantum resource theory of non-stabilizer states in the one-shot regime

Science.gov (United States)

Ahmadi, Mehdi; Dang, Hoan; Gour, Gilad; Sanders, Barry

Universal quantum computing is known to be impossible using only stabilizer states and stabilizer operations. However, addition of non-stabilizer states (also known as magic states) to quantum circuits enables us to achieve universality. The resource theory of non-stablizer states aims at quantifying the usefulness of non-stabilizer states. Here, we focus on a fundamental question in this resource theory in the so called single-shot regime: Given two resource states, is there a free quantum channel that will (approximately or exactly) convert one to the other?. To provide an answer, we phrase the question as a semidefinite program with constraints on the Choi matrix of the corresponding channel. Then, we use the semidefinite version of the Farkas lemma to derive the necessary and sufficient conditions for the conversion between two arbitrary resource states via a free quantum channel. BCS appreciates financial support from Alberta Innovates, NSERC, China's 1000 Talent Plan and the Institute for Quantum Information and Matter.

Stochastic theory of nonequilibrium steady states and its applications. Part I

International Nuclear Information System (INIS)

Zhang Xuejuan; Qian Hong; Qian Min

2012-01-01

The concepts of equilibrium and nonequilibrium steady states are introduced in the present review as mathematical concepts associated with stationary Markov processes. For both discrete stochastic systems with master equations and continuous diffusion processes with Fokker–Planck equations, the nonequilibrium steady state (NESS) is characterized in terms of several key notions which are originated from nonequilibrium physics: time irreversibility, breakdown of detailed balance, free energy dissipation, and positive entropy production rate. After presenting this NESS theory in pedagogically accessible mathematical terms that require only a minimal amount of prerequisites in nonlinear differential equations and the theory of probability, it is applied, in Part I, to two widely studied problems: the stochastic resonance (also known as coherent resonance) and molecular motors (also known as Brownian ratchet). Although both areas have advanced rapidly on their own with a vast amount of literature, the theory of NESS provides them with a unifying mathematical foundation. Part II of this review contains applications of the NESS theory to processes from cellular biochemistry, ranging from enzyme catalyzed reactions, kinetic proofreading, to zeroth-order ultrasensitivity.

Fermionic Spinon Theory of Square Lattice Spin Liquids near the Néel State

Directory of Open Access Journals (Sweden)

Alex Thomson

2018-01-01

Full Text Available Quantum fluctuations of the Néel state of the square lattice antiferromagnet are usually described by a CP^{1} theory of bosonic spinons coupled to a U(1 gauge field, and with a global SU(2 spin rotation symmetry. Such a theory also has a confining phase with valence bond solid (VBS order, and upon including spin-singlet charge-2 Higgs fields, deconfined phases with Z_{2} topological order possibly intertwined with discrete broken global symmetries. We present dual theories of the same phases starting from a mean-field theory of fermionic spinons moving in π flux in each square lattice plaquette. Fluctuations about this π-flux state are described by (2+1-dimensional quantum chromodynamics (QCD_{3} with a SU(2 gauge group and N_{f}=2 flavors of massless Dirac fermions. It has recently been argued by Wang et al. [Deconfined Quantum Critical Points: Symmetries and Dualities, Phys. Rev. X 7, 031051 (2017.PRXHAE2160-330810.1103/PhysRevX.7.031051] that this QCD_{3} theory describes the Néel-VBS quantum phase transition. We introduce adjoint Higgs fields in QCD_{3} and obtain fermionic dual descriptions of the phases with Z_{2} topological order obtained earlier using the bosonic CP^{1} theory. We also present a fermionic spinon derivation of the monopole Berry phases in the U(1 gauge theory of the VBS state. The global phase diagram of these phases contains multicritical points, and our results imply new boson-fermion dualities between critical gauge theories of these points.

Theory of quasiparticle surface states in semiconductor surfaces

International Nuclear Information System (INIS)

Hybertsen, M.S.; Louie, S.G.

1988-01-01

A first-principles theory of the quasiparticle surface-state energies on semiconductor surfaces is developed. The surface properties are calculated using a repeated-slab geometry. Many-body effects due to the electron-electron interaction are represented by the electron self-energy operator including the full surface Green's function and local fields and dynamical screening effects in the Coulomb interaction. Calculated surface-state energies for the prototypical Si(111):As and Ge(111):As surfaces are presented. The calculated energies and dispersions for the occupied surface states (resonances) are in excellent agreement with recent angle-resolved photoemission data. Predictions are made for the position of empty surface states on both surfaces which may be experimentally accessible. The resulting surface state gap at Gamma-bar for Si(111):As agrees with recent scanning-tunneling-spectroscopy measurements. Comparison of the present results to eigenvalues from the local-density-functional calculation reveals substantial corrections for the gaps between empty and occupied surface states. This correction is found to depend on the character of the surface states involved

An analytical model for computation of reliability of waste management facilities with intermediate storages

International Nuclear Information System (INIS)

Kallweit, A.; Schumacher, F.

1977-01-01

A high reliability is called for waste management facilities within the fuel cycle of nuclear power stations which can be fulfilled by providing intermediate storage facilities and reserve capacities. In this report a model based on the theory of Markov processes is described which allows computation of reliability characteristics of waste management facilities containing intermediate storage facilities. The application of the model is demonstrated by an example. (orig.) [de

Low temperature intermediate band metallic behavior in Ti implanted Si

Energy Technology Data Exchange (ETDEWEB)

Olea, Javier, E-mail: oleaariza@fis.ucm.es; Pastor, David; Garcia-Hemme, Eric; Garcia-Hernansanz, Rodrigo; Prado, Alvaro del; Martil, Ignacio; Gonzalez-Diaz, German

2012-08-31

Si samples implanted with very high Ti doses and subjected to Pulsed-Laser Melting (PLM) have been electrically analyzed in the scope of a two-layer model previously reported based on the Intermediate Band (IB) theory. Conductivity and Hall effect measurements using the van der Pauw technique suggest that the insulator-metal transition takes place for implantation doses in the 10{sup 14}-10{sup 16} cm{sup -2} range. Results of the sample implanted with the 10{sup 16} cm{sup -2} dose show a metallic behavior at low temperature that is explained by the formation of a p-type IB out of the Ti deep levels. This suggests that the IB would be semi-filled, which is essential for IB photovoltaic devices. - Highlights: Black-Right-Pointing-Pointer We fabricated high dose Ti implanted Si samples for intermediate band research. Black-Right-Pointing-Pointer We measured the electronic transport properties in the 7-300 K range. Black-Right-Pointing-Pointer We show an insulator to metallic transition when the intermediate band is formed. Black-Right-Pointing-Pointer The intermediate band is semi-filled and populated by holes. Black-Right-Pointing-Pointer We satisfactorily explain the electrical behavior by an intermediate band model.

Hepatitis B vaccination coverage among adults aged ≥ 18 years traveling to a country of high or intermediate endemicity, United States, 2015.

Science.gov (United States)

Lu, Peng-Jun; O'Halloran, Alissa C; Williams, Walter W; Nelson, Noele P

2018-04-25

Persons from the United States who travel to developing countries are at substantial risk for hepatitis B virus (HBV) infection. Hepatitis B vaccine has been recommended for adults at increased risk for infection, including travelers to high or intermediate hepatitis B endemic countries. To assess hepatitis B vaccination coverage among adults ≥ 18 years traveling to a country of high or intermediate endemicity from the United States. Data from the 2015 National Health Interview Survey (NHIS) were analyzed to determine hepatitis B vaccination coverage (≥1 dose) and series completion (≥3 doses) among persons aged ≥ 18 years who reported traveling to a country of high or intermediate hepatitis B endemicity. Multivariable logistic regression and predictive marginal analyses were conducted to identify factors independently associated with hepatitis B vaccination. In 2015, hepatitis B vaccination coverage (≥1 dose) among adults aged ≥ 18 years who reported traveling to high or intermediate hepatitis B endemic countries was 38.6%, significantly higher compared with 25.9% among non-travelers. Series completion (≥3 doses) was 31.7% and 21.2%, respectively (P travel status was significantly associated with hepatitis B vaccination coverage and series completion. Other characteristics independently associated with vaccination (≥1 dose, and ≥ 3 doses) among travelers included age, race/ethnicity, educational level, duration of U.S. residence, number of physician contacts in the past year, status of ever being tested for HIV, and healthcare personnel status. Although travel to a country of high or intermediate hepatitis B endemicity was associated with higher likelihood of hepatitis B vaccination, hepatitis B vaccination coverage was low among adult travelers to these areas. Healthcare providers should ask their patients about travel plans and recommend and offer travel related vaccinations to their patients or refer them to alternate

Optimal state estimation theory applied to safeguards accounting

International Nuclear Information System (INIS)

Pike, D.H.; Morrison, G.W.

1977-01-01

This paper presents a unified theory for the application of modern state estimation techniques to nuclear material accountability. First a summary of the current MUF/LEMUF approach is detailed. It is shown that when inventory measurement error is large in comparison to transfer measurement error, improved estimates of the losses can be achieved using the cumulative summation technique. However, the optimal estimator is shown to be the Kalman filter. An enhancement of the retrospective estimation of losses can be achieved using linear smoothing. State space models are developed for a mixed oxide fuel fabrication facility and examples are presented

Restructuring Consciousness –the Psychedelic State in Light of Integrated Information Theory

Directory of Open Access Journals (Sweden)

Andrew Robert Gallimore

2015-06-01

Full Text Available The psychological state elicited by the classic psychedelics drugs, such as LSD and psilocybin, is one of the most fascinating and yet least understood states of consciousness. However, with the advent of modern functional neuroimaging techniques, the effect of these drugs on neural activity is now being revealed, although many of the varied phenomenological features of the psychedelic state remain challenging to explain. Integrated information theory (IIT is one of the foremost contemporary theories of consciousness, providing a mathematical formalization of both the quantity and quality of conscious experience. This theory can be applied to all known states of consciousness, including the psychedelic state. Using the results of functional neuroimaging data on the psychedelic state, the effects of psychedelic drugs on both the level and structure of consciousness can be explained in terms of the conceptual framework of IIT. This new IIT-based model of the psychedelic state provides an explanation for many of its phenomenological features, including unconstrained cognition, alterations in the structure and meaning of concepts and a sense of expanded awareness. This model also suggests that whilst cognitive flexibility, creativity, and imagination are enhanced during the psychedelic state, this occurs at the expense of cause-effect information, as well as degrading the brain’s ability to organize, categorize, and differentiate the constituents of conscious experience. Furthermore, the model generates specific predictions that can be tested using a combination of functional imaging techniques, as has been applied to the study of levels of consciousness during anesthesia and following brain injury.

Nuts and Bolts of the Ion Band State Theory

Science.gov (United States)

Chubb, Scott R.

2005-12-01

The nuts and bolts of our ion band state theory of low energy nuclear reactions (LENR's) in palladium-deuteride (PdD) and palladium-hydride (PdH) are the electrons that hold together or tear apart the bonds (or lack of bonds) between deuterons (d's) or protons (p's) and the host material. In PdDx and PdHx, this bonding is strongly correlated with loading. In ambient loading conditions (x ≲ 0.6), bonding inhibits ion band state occupation. As x → 1, slight increases and decreases in loading can induce "vibrations" (which have conventionally been thought to occur from phonons) that can induce potential losses or increases of p/d. Naive assumptions about phonons fail to include these losses and increases. These effects can occur because neither H or D has core electrons and because in either PdD or PdH, the electrons near the Fermi energy have negligible overlap with the nucleus of either D or H. In the past, implicitly, we have used these facts to justify our ion band state theory. Here, we present a more formal justification, based on the relationship between H(D) ion band states (IBS's) and H(D) phonons that includes a microscopic picture that explains why occupation of IBS's can occur in PdD and PdH and how this can lead to nuclear reactions.

Early Events, Kinetic Intermediates and the Mechanism of Protein Folding in Cytochrome c

Directory of Open Access Journals (Sweden)

David S. Kliger

2009-04-01

Full Text Available Kinetic studies of the early events in cytochrome c folding are reviewed with a focus on the evidence for folding intermediates on the submillisecond timescale. Evidence from time-resolved absorption, circular dichroism, magnetic circular dichroism, fluorescence energy and electron transfer, small-angle X-ray scattering and amide hydrogen exchange studies on the t £ 1 ms timescale reveals a picture of cytochrome c folding that starts with the ~ 1-ms conformational diffusion dynamics of the unfolded chains. A fractional population of the unfolded chains collapses on the 1 – 100 ms timescale to a compact intermediate IC containing some native-like secondary structure. Although the existence and nature of IC as a discrete folding intermediate remains controversial, there is extensive high time-resolution kinetic evidence for the rapid formation of IC as a true intermediate, i.e., a metastable state separated from the unfolded state by a discrete free energy barrier. Final folding to the native state takes place on millisecond and longer timescales, depending on the presence of kinetic traps such as heme misligation and proline mis-isomerization. The high folding rates observed in equilibrium molten globule models suggest that IC may be a productive folding intermediate. Whether it is an obligatory step on the pathway to the high free energy barrier associated with millisecond timescale folding to the native state, however, remains to be determined.

Subjective Expected Utility Theory without States of the World

OpenAIRE

Edi Karni

2005-01-01

This paper develops an axiomatic theory of decision making under uncertainty that dispenses with the state space. The results are subjective expected utility models with unique, action-dependent, subjective probabilities, and a utility function defined over wealth-effect pairs that is unique up to positive linear transformation.

Zero-norm states and high-energy symmetries of string theory

International Nuclear Information System (INIS)

Chan, C.-T.; Lee, J.-C.

2004-01-01

We derive stringy Ward identities from the decoupling of two types of zero-norm states in the old covariant first quantized (OCFQ) spectrum of open bosonic string. These Ward identities are valid to all energy α' and all loop orders χ in string perturbation theory. The high-energy limit α'→∞ of these stringy Ward identities can then be used to fix the proportionality constants between scattering amplitudes of different string states algebraically without referring to Gross and Mende's saddle point calculation of high-energy string-loop amplitudes. As examples, all Ward identities for the mass level M 2 =4,6 are derived, their high-energy limits are calculated and the proportionality constants between scattering amplitudes of different string states are determined. In addition to those identified before, we discover some new nonzero components of high-energy amplitudes not found previously by Gross and Manes. These components are essential to preserve massive gauge invariances or decouple massive zero-norm states of string theory. A set of massive scattering amplitudes and their high-energy limits are calculated explicitly for each mass level M 2 =4,6 to justify our results

Exceptional thermodynamics. The equation of state of G{sub 2} gauge theory

Energy Technology Data Exchange (ETDEWEB)

Bruno, Mattia [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Caselle, Michele [Torino Univ. (Italy). Dipt. di Fisica Teorica; INFN, Sezione di Torino (Italy); Panero, Marco [Univ. Autonoma de Madrid (Spain). Inst. de Fisica Teorica; Consejo Superior de Investigaciones Cientificas, Madrid (Spain); Pellegrini, Roberto [Swansea Univ. (United Kingdom). Dept. of Physics

2014-10-15

We present a lattice study of the equation of state in Yang-Mills theory based on the exceptional G{sub 2} gauge group. As is well-known, at zero temperature this theory shares many qualitative features with real-world QCD, including the absence of colored states in the spectrum and dynamical string breaking at large distances. In agreement with previous works, we show that at finite temperature this theory features a first-order deconfining phase transition, whose nature can be studied by a semi-classical computation. We also show that the equilibrium thermodynamic observables in the deconfined phase bear striking quantitative similarities with those found in SU(N) gauge theories: in particular, these quantities exhibit nearly perfect proportionality to the number of gluon degrees of freedom, and the trace anomaly reveals a characteristic quadratic dependence on the temperature, also observed in SU(N) Yang-Mills theories (both in four and in three spacetime dimensions). We compare our lattice data with analytical predictions from effective models, and discuss their implications for the deconfinement mechanism and high-temperature properties of strongly interacting, non-supersymmetric gauge theories. Our results give strong evidence for the conjecture that the thermal deconfining transition is governed by a universal mechanism, common to all simple gauge groups.

Universality of State-Independent Violation of Correlation Inequalities for Noncontextual Theories

International Nuclear Information System (INIS)

Badziag, Piotr; Bengtsson, Ingemar; Cabello, Adan; Pitowsky, Itamar

2009-01-01

We show that the state-independent violation of inequalities for noncontextual hidden variable theories introduced in [Phys. Rev. Lett. 101, 210401 (2008)] is universal, i.e., occurs for any quantum mechanical system in which noncontextuality is meaningful. We describe a method to obtain state-independent violations for any system of dimension d≥3. This universality proves that, according to quantum mechanics, there are no 'classical' states.

Hypothalamic digoxin, hemispheric chemical dominance, and the tridosha theory.

Science.gov (United States)

Kurup, Ravi Kumar; Kurup, Parameswara Achutha

2003-05-01

Ayurveda, the traditional Indian System of Medicine, deals with the theory of the three tridosha states (both physical and psychological): Vata, Pitta, and Kapha. They are the three major human constitutional types that both depend on psychological and physical characteristics. The Pitta state is described as a critical, discriminative, and rational psychological state of mind, while the Kapha state is described as being dominant for emotional stimuli. The Vata state is an intermediate unstable shifting state. The Pitta types are of average height and built with well developed musculature. The Vata types are thin individuals with low body mass index. The Kapha types are short stocky individuals that tend toward obesity, and who are sedentary. The study assessed the biochemical differences between right hemispheric dominant, bihemispheric dominant, and left hemispheric dominant individuals, and then compared this with the patterns obtained in the Vata, Pitta, and Kapha states. The isoprenoid metabolites (digoxin, dolichol, and ubiquinone), glycoconjugate metabolism, free radical metabolism, and the RBC membrane composition were studied. The hemispheric chemical dominance in various systemic diseases and psychological states was also investigated. The results showed that right hemispheric chemically dominant/Kapha state had elevated digoxin levels, increased free radical production and reduced scavenging, increased tryptophan catabolites and reduced tyrosine catabolites, increased glycoconjugate levels and increased cholesterol: phospholipid ratio of RBC membranes. Left hemispheric chemically dominant/Pitta states had the opposite biochemical patterns. The patterns were normal or intermediate in the bihemispheric chemically dominant/Vata state. This pattern could be correlated with various systemic and neuropsychiatric diseases and personality traits. Right hemispheric chemical dominance/Kapha state represents a hyperdigoxinemic state with membrane sodium

Complexity Leadership Theory: A United States Marine Corps Historical Overlay

Science.gov (United States)

2017-05-25

DD-MM-YYYY) 23-04-2017 2. REPORT TYPE Master’s Thesis 3. DATES COVERED (From - To) JUN 2016 – MAY 2017 4. TITLE AND SUBTITLE Complexity...Monograph Title : Complexity Leadership Theory : A United States Marine Corps Historical Overlay Approved by...General Ridgway’s Success in Korea.” Master’s thesis , United States Army Command and General Staff College, 2010. Diana, Gabriel. “Vision, Education

Observer dependence of quantum states in relativistic quantum field theories

International Nuclear Information System (INIS)

Malin, S.

1982-01-01

Quantum states can be understood as either (i) describing quantum systems or (ii) representing observers' knowledge about quantum systems. These different meanings are shown to imply different transformation properties in relativistic field theories. The rules for the reduction of quantum states and the transformation properties of quantum states under Lorentz transformations are derived for case (ii). The results obtained are applied to a quantum system recently presented and analyzed by Aharonov and Albert. It is shown that the present results, combined with Aharonov and Albert's, amount to a proof of Bohr's view that quantum states represent observers' knowledge about quantum systems

Male-male aggression peaks at intermediate relatedness in a social spider mite

NARCIS (Netherlands)

Sato, Y.; Egas, M.; Sabelis, M.W.; Mochizuki, A.

2013-01-01

Theory predicts that when individuals live in groups or colonies, male-male aggression peaks at intermediate levels of local average relatedness. Assuming that aggression is costly and directed toward nonrelatives and that competition for reproduction acts within the colony, benefits of aggressive

Theory of the l-state population of Rydberg states formed in ion-solid collisions

International Nuclear Information System (INIS)

Kemmler, J.; Burgdoerfer, J.; Reinhold, C.O.

1991-01-01

The experimentally observed high-l-state population of ions excited in ion-solid interactions differs sharply from l-state populations produced in ion-atom collisions. We have studied the population dynamics of electronic excitation and transport within the framework of a classical transport theory for O 2+ (2-MeV/u) ions traversing C foils. The resulting delayed-photon-emission intensities are found to be in very good agreement with experiment. Initial phase-space conditions have been obtained from both classical-trajectory Monte Carlo calculations and random initial distributions. We find evidence that the very-high-l-state populations produced in ion-solid collisions are the result of a diffusion to high-l states under the influence of multiple scattering in the bulk of the solid

Theory and computation of triply excited resonances: Application to states of He-

International Nuclear Information System (INIS)

Nicolaides, C.A.; Piangos, N.A.; Komninos, Y.

1993-01-01

Autoionizing multiply excited states offer unusual challenges to the theory of electronic structure and spectra because of the presence of strong electron correlations, of their occasional weak binding, of their proximity to more than one threshold, and of their degeneracy with many continua. Here we discuss a theory that addresses these difficulties in conjunction with the computation of their wave functions and intrinsic properties. Emphasis is given on the justification of the possible presence of self-consistently obtained open-channel-like (OCL) correlating configurations in the square-integrable representation of such states and on their effect on the energy E and the width Γ. Application of the theory has allowed the prediction of two hitherto unknown He - triply excited resonances, the 2s2p 2 2 P (E=59.71 eV, above the He ground state, Γ=79 meV) and the 2p 3 2 Do (E=59.46 eV, Γ=282 meV) (1 a.u.=27.2116 eV). These resonances are above the singly excited states of He and are embedded in its doubly excited spectrum. The relatively broad 2p 3 2 Do state interacts strongly with the He 2s2p 3 Po εd continuum. The effect of this interaction has been studied in terms of the coupling with fixed core scattering states as well as with a self-consistently computed OCL bound configuration

Orthorhombic Intermediate State in the Zinc Blende to Rocksalt Transformation Path of SiC at High Pressure

International Nuclear Information System (INIS)

Catti, Michele

2001-01-01

The mechanism of the B3/B1 phase transition of SiC has been investigated by periodic LCAO-DFT least-enthalpy calculations. A new transformation pathway, based on a Pmm2 orthorhombic intermediate state with two SiC units per cell, is found to be energetically favored over the traditional R3m mechanism. The computed activation enthalpy is 0.75eV/SiC unit at the predicted transition pressure of 92GPa (B3LYP functional). Activation enthalpy and activation volume vs pressure are analyzed to characterize the kinetic aspects of the transformation

Quasilocal quark models as effective theory of non-perturbative QCD

International Nuclear Information System (INIS)

Andrianov, A.A.

2006-01-01

We consider the Quasilocal Quark Model of NJL type (QNJLM) as effective theory of non-perturbative QCD including scalar (S), pseudo-scalar (P), vector (V) and axial-vector (A) four-fermion interaction with derivatives. In the presence of a strong attraction in the scalar channel the chiral symmetry is spontaneously broken and as a consequence the composite meson states are generated in all channels. With the help of Operator Product Expansion the appropriate set of Chiral Symmetry Restoration (CSR) Sum Rules in these channels are imposed as matching rules to QCD at intermediate energies. The mass spectrum and some decay constants for ground and excited meson states are calculated

The Wertheim integral equation theory with the ideal chain approximation and a dimer equation of state: Generalization to mixtures of hard-sphere chain fluids

International Nuclear Information System (INIS)

Chang, J.; Sandler, S.I.

1995-01-01

We have extended the Wertheim integral equation theory to mixtures of hard spheres with two attraction sites in order to model homonuclear hard-sphere chain fluids, and then solved these equations with the polymer-Percus--Yevick closure and the ideal chain approximation to obtain the average intermolecular and overall radial distribution functions. We obtain explicit expressions for the contact values of these distribution functions and a set of one-dimensional integral equations from which the distribution functions can be calculated without iteration or numerical Fourier transformation. We compare the resulting predictions for the distribution functions with Monte Carlo simulation results we report here for five selected binary mixtures. It is found that the accuracy of the prediction of the structure is the best for dimer mixtures and declines with increasing chain length and chain-length asymmetry. For the equation of state, we have extended the dimer version of the thermodynamic perturbation theory to the hard-sphere chain mixture by introducing the dimer mixture as an intermediate reference system. The Helmholtz free energy of chain fluids is then expressed in terms of the free energy of the hard-sphere mixture and the contact values of the correlation functions of monomer and dimer mixtures. We compared with the simulation results, the resulting equation of state is found to be the most accurate among existing theories with a relative average error of 1.79% for 4-mer/8-mer mixtures, which is the worst case studied in this work. copyright 1995 American Institute of Physics

Third-order optical model analysis of e+-H(2s), e+-He(21S) and e+-He(23S) elastic scattering at intermediate energies

International Nuclear Information System (INIS)

Vucic, S.; Potvliege, R.M.; Joachain, C.J.; Louvain Univ., Louvain-la-Neuve

1987-01-01

We study the elastic scattering of electrons by the metastable states H(2s), He(2 1 S) and He(2 3 S) at intermediate energies within the framework of the third-order optical potential theory. The first-, second- and third-order contributions to the optical potential are analysed separately, and are compared with the corresponding quantities for e - H(1s) and e - He(1 1 S) elastic scattering. Results for positron impact scattering are also presented. (author)

Examining moral thinking of adolescents through intermediate concepts

Directory of Open Access Journals (Sweden)

Frichand Ana

2011-01-01

Full Text Available This study examines moral thinking of adolescents through intermediate concepts. Intermediate concepts describe a level of analysis that falls between the general default schemas defined in Kohlberg's theory and specific ethical codes. They are related to the ability to identify good and bad actions and justifications in solving specific moral dilemmas. Participants were adolescent males and females in early, middle and late adolescence. The type of education, expressed antisocial behaviour and the primary group of socialization (family were analyzed as well. The results indicate that the ability to identify good and bad actions and justifications is increasing with age. Female adolescents have higher scores on this ability than male adolescents. Individuals in late adolescence, who are concentrating more on moral values and principles during education, show higher ability in identifying bad actions and justifications. In middle adolescence those who exhibit antisocial behaviour have lower ability in identifying intermediate concepts, compared to their peers who do not show this type of behaviour. Similar results are true for those living in institutions for children without parents and parental care when compared to adolescents who are living with their parents. .

Thermal isomerization of azobenzenes: on the performance of Eyring transition state theory

Science.gov (United States)

Rietze, Clemens; Titov, Evgenii; Lindner, Steven; Saalfrank, Peter

2017-08-01

The thermal Z\\to E (back-)isomerization of azobenzenes is a prototypical reaction occurring in molecular switches. It has been studied for decades, yet its kinetics is not fully understood. In this paper, quantum chemical calculations are performed to model the kinetics of an experimental benchmark system, where a modified azobenzene (AzoBiPyB) is embedded in a metal-organic framework (MOF). The molecule can be switched thermally from cis to trans, under solvent-free conditions. We critically test the validity of Eyring transition state theory for this reaction. As previously found for other azobenzenes (albeit in solution), good agreement between theory and experiment emerges for activation energies and activation free energies, already at a comparatively simple level of theory, B3LYP/6-31G* including dispersion corrections. However, theoretical Arrhenius prefactors and activation entropies are in qualitiative disagreement with experiment. Several factors are discussed that may have an influence on activation entropies, among them dynamical and geometric constraints (imposed by the MOF). For a simpler model—Z\\to E isomerization in azobenzene—a systematic test of quantum chemical methods from both density functional theory and wavefunction theory is carried out in the context of Eyring theory. Also, the effect of anharmonicities on activation entropies is discussed for this model system. Our work highlights capabilities and shortcomings of Eyring transition state theory and quantum chemical methods, when applied for the Z\\to E (back-)isomerization of azobenzenes under solvent-free conditions.

Present state of the theory of a MHD-dynamo

Energy Technology Data Exchange (ETDEWEB)

Soward, A M; Roberts, P H

1976-01-01

A review is given of the state of the theory of a MHD-dynamo, that is, the theory of self-excited magnetic fields in homogeneous moving liquids. A description is given of two basic approaches-the turbulent dynamos of Steinbeck, Krause and Redler and the high-conductivity dynamo of Braginski, and a look is also taken at the relation between these dynamos. Finally a look is taken at the results of recent studies of the total problem of a MHD-dynamo, that is, at the results of recent attempts to solve the electro- and hydrodynamic equations and to obtain self-excited fields. 6 figs., 122 ref. (SJR)

State of Theory and Computer Simulations of Radiation Effects in Ceramics

International Nuclear Information System (INIS)

Corrales, Louis R.; Weber, William J.

2003-01-01

This article presents opinions based on the presentations and discussions at a Workshop on Theory and Computer Simulations of Radiation Effects in Ceramics held in August 2002 at Pacific Northwest National Laboratory in Richland, WA, USA. The workshop was focused on the current state-of-the-art of theory, modeling and simulation of radiation effects in oxide ceramics, directions for future breakthroughs, and creating a close integration with experiment

Some exact computations on the twisted butterfly state in string field theory

International Nuclear Information System (INIS)

Okawa, Yuji

2004-01-01

The twisted butterfly state solves the equation of motion of vacuum string field theory in the singular limit. The finiteness of the energy density of the solution is an important issue, but possible conformal anomaly resulting from the twisting has prevented us from addressing this problem. We present a description of the twisted regulated butterfly state in terms of a conformal field theory with a vanishing central charge which consists of the ordinary bc ghosts and a matter system with c=26. Various quantities relevant to vacuum string field theory are computed exactly using this description. We find that the energy density of the solution can be finite in the limit, but the finiteness depends on the sub leading structure of vacuum string field theory. We further argue, contrary to our previous expectation, that contributions from sub leading terms in the kinetic term to the energy density can be of the same order as the contribution from the leading term which consists of the midpoint ghost insertion. (author)

Libertarian Punishment Theory: Working for, and Donating to, the State

OpenAIRE

Walter Block

2009-01-01

In this paper we assume the contours of the libertarian philosophy, its view toward the unjustified state, and, also, the punishment theory of this perspective. We address the narrow question of what punishment is justified for partaking in statist activities.

Intermediate treatments

Science.gov (United States)

John R. Jones; Wayne D. Shepperd

1985-01-01

Intermediate treatments are those applied after a new stand is successfully established and before the final harvest. These include not only intermediate cuttings - primarily thinning - but also fertilization, irrigation, and protection of the stand from damaging agents.

A general theory for radioactive processes in rare earth compounds

International Nuclear Information System (INIS)

Acevedo, R.; Meruane, T.

1998-01-01

The formal theory of radiative processes in centrosymmetric coordination compounds of the Ln X 3+ is a trivalent lanthanide ion and X -1 =Cl -1 , Br -1 ) is put forward based on a symmetry vibronic crystal field-ligand polarisation model. This research considers a truncated basis set for the intermediate states of the central metal ion and have derived general master equations to account for both the overall observed spectral intensities and the measured relative vibronic intensity distributions for parity forbidden but vibronically allowed electronic transitions. In addition, a procedure which includes the closure approximation over the intermediate electronic states is included in order to estimate quantitative crystal field contribution to the total transition dipole moments of various and selected electronic transitions. This formalism is both general and flexible and it may be employed in any electronic excitations involving f N type configurations for the rare earths in centrosymmetric co-ordination compounds in cubic environments and also in doped host crystals belonging to the space group Fm 3m. (author)

Classical open-string field theory: A∞-algebra, renormalization group and boundary states

International Nuclear Information System (INIS)

Nakatsu, Toshio

2002-01-01

We investigate classical bosonic open-string field theory from the perspective of the Wilson renormalization group of world-sheet theory. The microscopic action is identified with Witten's covariant cubic action and the short-distance cut-off scale is introduced by length of open-string strip which appears in the Schwinger representation of open-string propagator. Classical open-string field theory in the title means open-string field theory governed by a classical part of the low energy action. It is obtained by integrating out suitable tree interactions of open-strings and is of non-polynomial type. We study this theory by using the BV formalism. It turns out to be deeply related with deformation theory of A ∞ -algebra. We introduce renormalization group equation of this theory and discuss it from several aspects. It is also discussed that this theory is interpreted as a boundary open-string field theory. Closed-string BRST charge and boundary states of closed-string field theory in the presence of open-string field play important roles

Automotive Electrical and Electronic System II; Automotive Mechanics-Intermediate: 9045.04.

Science.gov (United States)

Dade County Public Schools, Miami, FL.

This automotive electrical and electronic system course is an intermediate course designed for the student who has completed automotive Electrical and Electronic System I. The theory and principles of operation of the components of the starting and charging systems and other electrical accessory systems in the automobile will be learned by the…

Building polyhedra by self-assembly: theory and experiment.

Science.gov (United States)

Kaplan, Ryan; Klobušický, Joseph; Pandey, Shivendra; Gracias, David H; Menon, Govind

2014-01-01

We investigate the utility of a mathematical framework based on discrete geometry to model biological and synthetic self-assembly. Our primary biological example is the self-assembly of icosahedral viruses; our synthetic example is surface-tension-driven self-folding polyhedra. In both instances, the process of self-assembly is modeled by decomposing the polyhedron into a set of partially formed intermediate states. The set of all intermediates is called the configuration space, pathways of assembly are modeled as paths in the configuration space, and the kinetics and yield of assembly are modeled by rate equations, Markov chains, or cost functions on the configuration space. We review an interesting interplay between biological function and mathematical structure in viruses in light of this framework. We discuss in particular: (i) tiling theory as a coarse-grained description of all-atom models; (ii) the building game-a growth model for the formation of polyhedra; and (iii) the application of these models to the self-assembly of the bacteriophage MS2. We then use a similar framework to model self-folding polyhedra. We use a discrete folding algorithm to compute a configuration space that idealizes surface-tension-driven self-folding and analyze pathways of assembly and dominant intermediates. These computations are then compared with experimental observations of a self-folding dodecahedron with side 300 μm. In both models, despite a combinatorial explosion in the size of the configuration space, a few pathways and intermediates dominate self-assembly. For self-folding polyhedra, the dominant intermediates have fewer degrees of freedom than comparable intermediates, and are thus more rigid. The concentration of assembly pathways on a few intermediates with distinguished geometric properties is biologically and physically important, and suggests deeper mathematical structure.

Origin of the complex crystal structures of elements at intermediate pressure

International Nuclear Information System (INIS)

Ackland, G J; Macleod, I R

2004-01-01

We present a unifying theory for the observed complex structures of sp-bonded elements under pressure on the basis of nearly free electron picture. In the intermediate pressure regime, the dominant contribution to crystal structure arises from Fermi-surface Brillouin zone interactions-structures which allow this are favoured. This simple theory explains the observed crystal structures, transport properties and the evolution of internal and unit cell parameters with pressure and appears to hold for elements in groups I-VI. We illustrate it with experimental data for these elements and ab initio calculations for Li

Correlations of zero-entropy critical states in the XXZ model: integrability and Luttinger theory far from the ground state

Directory of Open Access Journals (Sweden)

R. Vlijm, I. S. Eliëns, J. -S. Caux

2016-10-01

Full Text Available Pumping a finite energy density into a quantum system typically leads to `melted' states characterized by exponentially-decaying correlations, as is the case for finite-temperature equilibrium situations. An important exception to this rule are states which, while being at high energy, maintain a low entropy. Such states can interestingly still display features of quantum criticality, especially in one dimension. Here, we consider high-energy states in anisotropic Heisenberg quantum spin chains obtained by splitting the ground state's magnon Fermi sea into separate pieces. Using methods based on integrability, we provide a detailed study of static and dynamical spin-spin correlations. These carry distinctive signatures of the Fermi sea splittings, which would be observable in eventual experimental realizations. Going further, we employ a multi-component Tomonaga-Luttinger model in order to predict the asymptotics of static correlations. For this effective field theory, we fix all universal exponents from energetics, and all non-universal correlation prefactors using finite-size scaling of matrix elements. The correlations obtained directly from integrability and those emerging from the Luttinger field theory description are shown to be in extremely good correspondence, as expected, for the large distance asymptotics, but surprisingly also for the short distance behavior. Finally, we discuss the description of dynamical correlations from a mobile impurity model, and clarify the relation of the effective field theory parameters to the Bethe Ansatz solution.

Physical states at the tachyonic vacuum of open string field theory

International Nuclear Information System (INIS)

Giusto, S.; Imbimbo, C.

2004-01-01

We illustrate a method for computing the number of physical states of open string theory at the stable tachyonic vacuum in level truncation approximation. The method is based on the analysis of the gauge-fixed open string field theory quadratic action that includes Fadeev-Popov ghost string fields. Computations up to level 9 in the scalar sector are consistent with Sen's conjecture about the absence of physical open string states at the tachyonic vacuum. We also derive a long exact cohomology sequence that relates relative and absolute cohomologies of the BRS operator at the non-perturbative vacuum. We use this exact result in conjunction with our numerical findings to conclude that the higher ghost number non-perturbative BRS cohomologies are non-empty

Libertarian Punishment Theory: Working for, and Donating to, the State

Directory of Open Access Journals (Sweden)

Walter Block

2009-02-01

Full Text Available In this paper we assume the contours of the libertarian philosophy, its view toward the unjustified state, and, also, the punishment theory of this perspective. We address the narrow question of what punishment is justified for partaking in statist activities.

Selective deuteration illuminates the importance of tunneling in the unimolecular decay of Criegee intermediates to hydroxyl radical products.

Science.gov (United States)

Green, Amy M; Barber, Victoria P; Fang, Yi; Klippenstein, Stephen J; Lester, Marsha I

2017-11-21

Ozonolysis of alkenes, an important nonphotolytic source of hydroxyl (OH) radicals in the atmosphere, proceeds through unimolecular decay of Criegee intermediates. Here, we report a large kinetic isotope effect associated with the rate-limiting hydrogen-transfer step that releases OH radicals for a prototypical Criegee intermediate, CH 3 CHOO. IR excitation of selectively deuterated syn -CD 3 CHOO is shown to result in deuterium atom transfer and release OD radical products. Vibrational activation of syn -CD 3 CHOO is coupled with direct time-resolved detection of OD products to measure a 10-fold slower rate of unimolecular decay upon deuteration in the vicinity of the transition state barrier, which is confirmed by microcanonical statistical theory that incorporates quantum mechanical tunneling. The corresponding kinetic isotope effect of ∼10 is attributed primarily to the decreased probability of D-atom vs. H-atom transfer arising from tunneling. Master equation modeling is utilized to compute the thermal unimolecular decay rates for selectively and fully deuterated syn methyl-substituted Criegee intermediates under atmospheric conditions. At 298 K (1 atm), tunneling is predicted to enhance the thermal decay rate of syn -CH 3 CHOO compared with the deuterated species, giving rise to a significant kinetic isotope effect of ∼50.

HIV-1 Env trimer opens through an asymmetric intermediate in which individual protomers adopt distinct conformations.

Science.gov (United States)

Ma, Xiaochu; Lu, Maolin; Gorman, Jason; Terry, Daniel S; Hong, Xinyu; Zhou, Zhou; Zhao, Hong; Altman, Roger B; Arthos, James; Blanchard, Scott C; Kwong, Peter D; Munro, James B; Mothes, Walther

2018-03-21

HIV-1 entry into cells requires binding of the viral envelope glycoprotein (Env) to receptor CD4 and coreceptor. Imaging of individual Env molecules on native virions shows Env trimers to be dynamic, spontaneously transitioning between three distinct well-populated conformational states: a pre-triggered Env (State 1), a default intermediate (State 2) and a three-CD4-bound conformation (State 3), which can be stabilized by binding of CD4 and coreceptor-surrogate antibody 17b. Here, using single-molecule Fluorescence Resonance Energy Transfer (smFRET), we show the default intermediate configuration to be asymmetric, with individual protomers adopting distinct conformations. During entry, this asymmetric intermediate forms when a single CD4 molecule engages the trimer. The trimer can then transition to State 3 by binding additional CD4 molecules and coreceptor.

Lattice gauge theories and Monte Carlo simulations

International Nuclear Information System (INIS)

Rebbi, C.

1981-11-01

After some preliminary considerations, the discussion of quantum gauge theories on a Euclidean lattice takes up the definition of Euclidean quantum theory and treatment of the continuum limit; analogy is made with statistical mechanics. Perturbative methods can produce useful results for strong or weak coupling. In the attempts to investigate the properties of the systems for intermediate coupling, numerical methods known as Monte Carlo simulations have proved valuable. The bulk of this paper illustrates the basic ideas underlying the Monte Carlo numerical techniques and the major results achieved with them according to the following program: Monte Carlo simulations (general theory, practical considerations), phase structure of Abelian and non-Abelian models, the observables (coefficient of the linear term in the potential between two static sources at large separation, mass of the lowest excited state with the quantum numbers of the vacuum (the so-called glueball), the potential between two static sources at very small distance, the critical temperature at which sources become deconfined), gauge fields coupled to basonic matter (Higgs) fields, and systems with fermions

Intermediate coupling collision strengths from LS coupled R-matrix elements

International Nuclear Information System (INIS)

Clark, R.E.H.

1978-01-01

Fine structure collision strength for transitions between two groups of states in intermediate coupling and with inclusion of configuration mixing are obtained from LS coupled reactance matrix elements (R-matrix elements) and a set of mixing coefficients. The LS coupled R-matrix elements are transformed to pair coupling using Wigner 6-j coefficients. From these pair coupled R-matrix elements together with a set of mixing coefficients, R-matrix elements are obtained which include the intermediate coupling and configuration mixing effects. Finally, from the latter R-matrix elements, collision strengths for fine structure transitions are computed (with inclusion of both intermediate coupling and configuration mixing). (Auth.)

Improved Fluid Perturbation Theory: Equation of state for Fluid Xenon

OpenAIRE

Li, Qiong; Liu, Hai-Feng; Zhang, Gong-Mu; Zhao, Yan-Hong; Tian, Ming-Feng; Song, Hai-Feng

2016-01-01

The traditional fluid perturbation theory is improved by taking electronic excitations and ionizations into account, in the framework of average ion spheres. It is applied to calculate the equation of state for fluid Xenon, which turns out in good agreement with the available shock data.

String states, loops and effective actions in noncommutative field theory and matrix models

Directory of Open Access Journals (Sweden)

Harold C. Steinacker

2016-09-01

Full Text Available Refining previous work by Iso, Kawai and Kitazawa, we discuss bi-local string states as a tool for loop computations in noncommutative field theory and matrix models. Defined in terms of coherent states, they exhibit the stringy features of noncommutative field theory. This leads to a closed form for the 1-loop effective action in position space, capturing the long-range non-local UV/IR mixing for scalar fields. The formalism applies to generic fuzzy spaces. The non-locality is tamed in the maximally supersymmetric IKKT or IIB model, where it gives rise to supergravity. The linearized supergravity interactions are obtained directly in position space at one loop using string states on generic noncommutative branes.

String states, loops and effective actions in noncommutative field theory and matrix models

Energy Technology Data Exchange (ETDEWEB)

Steinacker, Harold C., E-mail: harold.steinacker@univie.ac.at

2016-09-15

Refining previous work by Iso, Kawai and Kitazawa, we discuss bi-local string states as a tool for loop computations in noncommutative field theory and matrix models. Defined in terms of coherent states, they exhibit the stringy features of noncommutative field theory. This leads to a closed form for the 1-loop effective action in position space, capturing the long-range non-local UV/IR mixing for scalar fields. The formalism applies to generic fuzzy spaces. The non-locality is tamed in the maximally supersymmetric IKKT or IIB model, where it gives rise to supergravity. The linearized supergravity interactions are obtained directly in position space at one loop using string states on generic noncommutative branes.

Uniform magnetic fields in density-functional theory

Science.gov (United States)

Tellgren, Erik I.; Laestadius, Andre; Helgaker, Trygve; Kvaal, Simen; Teale, Andrew M.

2018-01-01

We construct a density-functional formalism adapted to uniform external magnetic fields that is intermediate between conventional density functional theory and Current-Density Functional Theory (CDFT). In the intermediate theory, which we term linear vector potential-DFT (LDFT), the basic variables are the density, the canonical momentum, and the paramagnetic contribution to the magnetic moment. Both a constrained-search formulation and a convex formulation in terms of Legendre-Fenchel transformations are constructed. Many theoretical issues in CDFT find simplified analogs in LDFT. We prove results concerning N-representability, Hohenberg-Kohn-like mappings, existence of minimizers in the constrained-search expression, and a restricted analog to gauge invariance. The issue of additivity of the energy over non-interacting subsystems, which is qualitatively different in LDFT and CDFT, is also discussed.

[The effect of hyperthyroidism on the cognition processes and the state of the glial intermediate filaments in the rat brain].

Science.gov (United States)

Nedzvets'kyĭ, V S; Nerush, P O

2010-01-01

The effects of hyperthyreosis on oxidative stress, state of glial intermediate filaments and memory were investigated. We observed a significant increase in lipid peroxidation products into both hippocampus and cortex and memory worsening. The changes of GFAP polypeptides was observed in hippocampus and cortex. In group of rats with hyperthyreosis, the content of GFAP in both soluble and filamentous fractions was increased in hippocampus. This data shows, that glial cytoskeleton is reconstructed under thyroid hormone effects.

Bound-state perturbation theory and annihilation effects in positronium

International Nuclear Information System (INIS)

Abbasabadi, A.; Repko, W.W.

1987-01-01

Working in Coulomb gauge and using the lowest-order equation proposed by Barbieri and Remiddi it is calculated, in the one-loop order of perturbation theory, the decay rate and the energy shift of the ground states of parapositronium and orthopositronium, respectively. Our result for the decay rate agrees with that of Harris and Brown. For contribution of one-photon-annihilation channel to the energy shift, it is confirmed the result of Karplus and Klein. These results are derived completely within the bound-state formalism and avoid the necessity of performing on-mass-shell wave function and vertex renormalization subtractions

Polarization control of multi-photon absorption under intermediate femtosecond laser field

International Nuclear Information System (INIS)

Cheng Wenjing; Liang Guo; Wu Ping; Liu Pei; Jia Tianqing; Sun Zhenrong; Zhang Shian

2017-01-01

It has been shown that the femtosecond laser polarization modulation is a very simple and well-established method to control the multi-photon absorption process by the light–matter interaction. Previous studies mainly focused on the multi-photon absorption control in the weak field. In this paper, we further explore the polarization control behavior of multi-photon absorption process in the intermediate femtosecond laser field. In the weak femtosecond laser field, the second-order perturbation theory can well describe the non-resonant two-photon absorption process. However, the higher order nonlinear effect (e.g., four-photon absorption) can occur in the intermediate femtosecond laser field, and thus it is necessary to establish new theoretical model to describe the multi-photon absorption process, which includes the two-photon and four-photon transitions. Here, we construct a fourth-order perturbation theory to study the polarization control behavior of this multi-photon absorption under the intermediate femtosecond laser field excitation, and our theoretical results show that the two-photon and four-photon excitation pathways can induce a coherent interference, while the coherent interference is constructive or destructive that depends on the femtosecond laser center frequency. Moreover, the two-photon and four-photon transitions have the different polarization control efficiency, and the four-photon absorption can obtain the higher polarization control efficiency. Thus, the polarization control efficiency of the whole excitation process can be increased or decreased by properly designing the femtosecond laser field intensity and laser center frequency. These studies can provide a clear physical picture for understanding and controlling the multi-photon absorption process in the intermediate femtosecond laser field, and also can provide a theoretical guidance for the future experimental realization. (paper)

Cluster expansion of the wavefunction. Calculation of electron correlations in ground and excited states by SAC and SAC CI theories

International Nuclear Information System (INIS)

Nakatsuji, H.

1979-01-01

The SAC and SAC CI theories are formulated for actual calculations of singlet ground states and their excited states of arbitrary spin multiplicity. Approximations are considered for the variational methods since time-consuming terms are involved. The results of test calculations for singlet states have shown, with much smaller numbers of variables (sizes of the matrices involved), excellent agreement with the full CI and close-to-full CI results. This shows the utility of the SAC theory for ground states and especially of the SAC CI theory for excited states, since the slow convergence of the CI theory is much more critical for excited states than for ground states. (Auth.)

[Intermediate energy nuclear physics

International Nuclear Information System (INIS)

1989-01-01

This report summarizes work in experimental Intermediate Energy Nuclear Physics carried out between October 1, 1988 and October 1, 1989 at the Nuclear Physics Laboratory of the University of Colorado, Boulder, under grant DE-FG02-86ER-40269 with the United States Department of Energy. The experimental program is very broadly based, including pion-nucleon studies at TRIUMF, inelastic pion scattering and charge exchange reactions at LAMPF, and nucleon charge exchange at LAMPF/WNR. In addition, a number of other topics related to accelerator physics are described in this report

Gauge theory of the post-Galilean groups

International Nuclear Information System (INIS)

Dimakis, A.

1985-01-01

By means of an extension of the field of real numbers we construct post-Galilean groups, which in a sense lay between the Galilean group and the Lorentz group. By gauging these groups we obtain a frame theory of gravitation, which comprises Newton--Cartan theory, general relativity, and an infinite number of intermediate theories. This leads to a better understanding of how the structural differences of the two main theories of gravitation arise

Solving Witten's string field theory using the butterfly state

International Nuclear Information System (INIS)

Okawa, Yuji

2004-01-01

We solve the equation of motion of Witten's cubic open string field theory in a series expansion using the regulated butterfly state. The expansion parameter is given by the regularization parameter of the butterfly state, which can be taken to be arbitrarily small. Unlike the case of level truncation, the equation of motion can be solved for an arbitrary component of the Fock space up to a positive power of the expansion parameter. The energy density of the solution is well defined and remains finite even in the singular butterfly limit, and it gives approximately 68% of the D25-brane tension for the solution at the leading order. Moreover, it simultaneously solves the equation of motion of vacuum string field theory, providing support for the conjecture at this order. We further improve our ansatz by taking into account next-to-leading terms, and find two numerical solutions which give approximately 88% and 109%, respectively, of the D25-brane tension for the energy density. These values are interestingly close to those by level truncation at level 2 without gauge fixing studied by Rastelli and Zwiebach and by Ellwood and Taylor

Dry molten globule intermediates and the mechanism of protein unfolding.

Science.gov (United States)

Baldwin, Robert L; Frieden, Carl; Rose, George D

2010-10-01

New experimental results show that either gain or loss of close packing can be observed as a discrete step in protein folding or unfolding reactions. This finding poses a significant challenge to the conventional two-state model of protein folding. Results of interest involve dry molten globule (DMG) intermediates, an expanded form of the protein that lacks appreciable solvent. When an unfolding protein expands to the DMG state, side chains unlock and gain conformational entropy, while liquid-like van der Waals interactions persist. Four unrelated proteins are now known to form DMGs as the first step of unfolding, suggesting that such an intermediate may well be commonplace in both folding and unfolding. Data from the literature show that peptide amide protons are protected in the DMG, indicating that backbone structure is intact despite loss of side-chain close packing. Other complementary evidence shows that secondary structure formation provides a major source of compaction during folding. In our model, the major free-energy barrier separating unfolded from native states usually occurs during the transition between the unfolded state and the DMG. The absence of close packing at this barrier provides an explanation for why phi-values, derived from a Brønsted-Leffler plot, depend primarily on structure at the mutational site and not on specific side-chain interactions. The conventional two-state folding model breaks down when there are DMG intermediates, a realization that has major implications for future experimental work on the mechanism of protein folding. 2010 Wiley-Liss, Inc.

Decoupling of degenerate positive-norm states in Witten's string field theory

International Nuclear Information System (INIS)

Kao, Hsien-Chung; Lee, Jen-Chi

2003-01-01

We show that the degenerate positive-norm physical propagating fields of the open bosonic string can be gauged to the higher rank fields at the same mass level. As a result, their scattering amplitudes can be determined from those of the higher spin fields. This phenomenon arises from the existence of two types of zero-norm states with the same Young representations as those of the degenerate positive-norm states in the old covariant first quantized (OCFQ) spectrum. This is demonstrated by using the lowest order gauge transformation of Witten's string field theory (WSFT) up to the fourth massive level (spin-five), and is found to be consistent with conformal field theory calculation based on the first quantized generalized sigma-model approach. In particular, on-shell conditions of zero-norm states in the OCFQ stringy gauge transformation are found to correspond, in a one-to-one manner, to the background ghost fields in off-shell gauge transformation of WSFT. The implication of decoupling of scalar modes on Sen's conjectures is also briefly discussed

On non-relativistic electron theory

Energy Technology Data Exchange (ETDEWEB)

Woolley, R G

1975-01-01

A discussion of non-relativistic electron theory, which makes use of the electromagnetic field potentials only as useful working variables in the intermediate stages, is presented. The separation of the (transverse) radiation field from the longitudinal electric field due to the sources is automatic, and as a result, this formalism is often more convenient than the usual Coulomb gauge theory used in molecular physics.

Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian

Science.gov (United States)

Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E.

2017-06-01

The failures of single-reference coupled-cluster theory for strongly correlated many-body systems is flagged at the mean-field level by the spontaneous breaking of one or more physical symmetries of the Hamiltonian. Restoring the symmetry of the mean-field determinant by projection reveals that coupled-cluster theory fails because it factorizes high-order excitation amplitudes incorrectly. However, symmetry-projected mean-field wave functions do not account sufficiently for dynamic (or weak) correlation. Here we pursue a merger of symmetry projection and coupled-cluster theory, following previous work along these lines that utilized the simple Lipkin model system as a test bed [J. Chem. Phys. 146, 054110 (2017), 10.1063/1.4974989]. We generalize the concept of a symmetry-projected mean-field wave function to the concept of a symmetry projected state, in which the factorization of high-order excitation amplitudes in terms of low-order ones is guided by symmetry projection and is not exponential, and combine them with coupled-cluster theory in order to model the ground state of the Agassi Hamiltonian. This model has two separate channels of correlation and two separate physical symmetries which are broken under strong correlation. We show how the combination of symmetry collective states and coupled-cluster theory is effective in obtaining correlation energies and order parameters of the Agassi model throughout its phase diagram.

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

DEFF Research Database (Denmark)

Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.

2008-01-01

Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...

On bound states of photons in noncommutative U(1) gauge theory

International Nuclear Information System (INIS)

Fatollahi, A.H.; Jafari, A.

2006-01-01

We consider the possibility that photons of noncommutative U(1) gauge theory can make bound states. Using the potential model, developed based on the constituent gluon picture of QCD glue-balls, arguments are presented in favor of the existence of these bound states. The basic ingredient of the potential model is that the self-interacting massless gauge particles may get mass by the inclusion of non-perturbative effects. (orig.)

Reactive intermediates in the gas phase generation and monitoring

CERN Document Server

Setser, D W

2013-01-01

Reactive Intermediates in the Gas Phase: Generation and Monitoring covers methods for reactive intermediates in the gas phase. The book discusses the generation and measurement of atom and radical concentrations in flow systems; the high temperature flow tubes, generation and measurement of refractory species; and the electronically excited long-lived states of atoms and diatomic molecules in flow systems. The text also describes the production and detection of reactive species with lasers in static systems; the production of small positive ions in a mass spectrometer; and the discharge-excite

Fundamental constants and tests of theory in Rydberg states of hydrogenlike ions.

Science.gov (United States)

Jentschura, Ulrich D; Mohr, Peter J; Tan, Joseph N; Wundt, Benedikt J

2008-04-25

A comparison of precision frequency measurements to quantum electrodynamics (QED) predictions for Rydberg states of hydrogenlike ions can yield information on values of fundamental constants and test theory. With the results of a calculation of a key QED contribution reported here, the uncertainty in the theory of the energy levels is reduced to a level where such a comparison can yield an improved value of the Rydberg constant.

Fundamental Constants and Tests of Theory in Rydberg States of Hydrogenlike Ions

International Nuclear Information System (INIS)

Jentschura, Ulrich D.; Mohr, Peter J.; Tan, Joseph N.; Wundt, Benedikt J.

2008-01-01

A comparison of precision frequency measurements to quantum electrodynamics (QED) predictions for Rydberg states of hydrogenlike ions can yield information on values of fundamental constants and test theory. With the results of a calculation of a key QED contribution reported here, the uncertainty in the theory of the energy levels is reduced to a level where such a comparison can yield an improved value of the Rydberg constant

Microscopic theory of warm ionized gases: equation of state and kinetic Schottky anomaly

International Nuclear Information System (INIS)

Capolupo, A; Giampaolo, S M; Illuminati, F

2013-01-01

Based on accurate Lennard-Jones type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analogue in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed.

Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules

International Nuclear Information System (INIS)

Garrett, B.C.; Truhlar, D.G.

1979-01-01

Canonical variational transition state theory, microcanonical variational transition state theory, and Miller's unified statistical theory were used in an attempt to correct two major deficiencies of the conventional transition state theory. These are: (1) the necessity of extra assumptions to include quantum mechanical tunneling effects and (2) the fundamental assumption that trajectories crossing a dividing surface in phase space proceed directly to products. The accuracy of these approximate methods were tested by performing calculations for several collinear reactions of hydrogen, deuterium, chlorine, or iodine, with five isotopes of hydrogen molecules and comparison of these results with those from accurate quantitative calculations of the reaction probabilities as functions of energy and of the thermal rate constants as functions of temperature. 49 references, 28 figures, 17 tables

Multifragmentation in intermediate energy heavy ion collisions

International Nuclear Information System (INIS)

Jacak, B.V.; Britt, H.C.; Claesson, G.

1986-01-01

There has been considerable recent interest in the production of intermediate mass fragments (A > 4) in intermediate and high energy nucleus-nucleus collisions. The mechanism for production of these fragments is not well understood and has been described by models employing a variety of assumptions. Some examples are: disassembly of a system in thermal equilibrium into nucleons and nuclear fragments, liquid-vapor phase transitions in nuclear matter, final state coalescence of nucleons and dynamical correlations between nucleons at breakup. Previous studies of fragment production, with one exception, have been single particle inclusive measurements; the observed fragment mass (or charge) distributions can be described by all of the models above. To gain insight into the fragment production mechanism, the authors used the GSI/LBL Plastic Ball detector system to get full azimuthal coverage for intermediate mass fragments in the forward hemisphere in the center of mass system while measuring all the light particles in each event. The authors studied the systems 200 MeV/nucleon Au + Au and Au + Fe

Magneto-optical study of the intermediate state in type-I superconductors: Effects of sample shape and applied current

International Nuclear Information System (INIS)

Hoberg, Jacob

2008-01-01

The magnetic flux structures in the intermediate state of bulk, pinning-free Type-I superconductors are studied using a high resolution magneto-optical imaging technique. Unlike most previous studies, this work focuses on the pattern formation of the coexisting normal and superconducting phases in the intermediate state. The influence of various parameters such as sample shape, structure defects (pinning) and applied current are discussed in relation to two distinct topologies: flux tubes (closed topology) and laminar (open topology). Imaging and magnetization measurements performed on samples of different shapes (cones, hemispheres and slabs), show that contrary to previous beliefs, the tubular structure is the equilibrium topology, but it is unstable toward defects and flux motion. Moreover, the application of current into a sample with the geometric barrier can replace an established laminar structure with flux tubes. At very high currents, however, there exists a laminar 'stripe pattern.' Quantitative analysis of the mean tube diameter is shown to be in good agreement with the prediction proposed by Goren and Tinkham. This is the first time that this model has been confirmed experimentally. Further research into the flux tube phase shows a direct correlation with the current loop model proposed in the 1990's by Goldstein, Jackson and Dorsey. There also appears a range of flux tube density that results in a suprafroth structure, a well-formed polygonal mesh, which behaves according to the physics of foams, following standard statistical laws such as von Neumann and Lewis. The reaction of flux structures to a fast-ramped magnetic field was also studied. This provided an alignment of the structure not normally observed at slow ramp rates.

Particle transport methods for LWR dosimetry developed by the Penn State transport theory group

International Nuclear Information System (INIS)

Haghighat, A.; Petrovic, B.

1997-01-01

This paper reviews advanced particle transport theory methods developed by the Penn State Transport Theory Group (PSTTG) over the past several years. These methods have been developed in response to increasing needs for accuracy of results and for three-dimensional modeling of nuclear systems

Multi-hadron-state contamination in nucleon observables from chiral perturbation theory

Science.gov (United States)

Bär, Oliver

2018-03-01

Multi-particle states with additional pions are expected to be a non-negligible source of the excited-state contamination in lattice simulations at the physical point. It is shown that baryon chiral perturbation theory (ChPT) can be employed to calculate the contamination due to two-particle nucleon-pion states in various nucleon observables. Results to leading order are presented for the nucleon axial, tensor and scalar charge and three Mellin moments of parton distribution functions: the average quark momentum fraction, the helicity and the transversity moment. Taking into account experimental and phenomenological results for the charges and moments the impact of the nucleon-pionstates on lattice estimates for these observables can be estimated. The nucleon-pion-state contribution leads to an overestimation of all charges and moments obtained with the plateau method. The overestimation is at the 5-10% level for source-sink separations of about 2 fm. Existing lattice data is not in conflict with the ChPT predictions, but the comparison suggests that significantly larger source-sink separations are needed to compute the charges and moments with few-percent precision. Talk given at the 35th International Symposium on Lattice Field Theory, 18 - 24 June 2017, Granada, Spain.

Critical masses of bare homogeneous spherical UO2-water mixtures at intermediate enrichments

International Nuclear Information System (INIS)

Rendon, G.L.; Stratton, W.

1999-01-01

Critical masses of bare homogeneous spherical UO 2 -water mixtures at various intermediate fissile enrichments determined by multigroup, transport theory is presented. This work was performed to provide support for particular issues encountered by the nuclear industry when operating in the intermediate enrichment regime, namely, the validation of codes used to set criticality safety limits. Validation is normally performed with a comparison of computational results and applicable experiments. However, this may be difficult in some cases because of the lack of sufficient applicable experiments in the intermediate enrichment range. If a large extension of the area of applicability from an experiment to the desired application exists, then an alternative means for validation must be employed. Ideal interpretations of standard ANSI/ANS 8.1 Section 4.3 (1983) implies that perhaps an independent code and data system may be employed for validation purposes

Decay υ(3S)→υ(1S)π+π- and a possible b(b-bar)q(q-bar) state

International Nuclear Information System (INIS)

Guo Fengkun; Ping Ronggang

2005-01-01

The decay process υ(3S)→υ(1S)π + π - are re-visited using a Chiral Unitary Theory (ChUT) to include the important ππS wave final state interaction (FSI). It is found that when an additional intermediate state with J P =1 + and I=1 is introduced, the ππ invariant mass spectrum and the cosθ π * distribution in the υ(3S)→υ(1S)π + π - process can simultaneously be well-explained, and a good description for other bottomonium π + π - transitions can be obtained consistently. As a result, the mass and the width of the intermediate state are predicted to be M X =10.08 GeV and Γ X =0.665 GeV, respectively. From the quark content analysis, this state should be a b(b-bar)q(q-bar) state. (authors)

Long-Lived Folding Intermediates Predominate the Targeting-Competent Secretome

DEFF Research Database (Denmark)

Tsirigotaki, Alexandra; Chatzi, Katerina E; Koukaki, Marina

2018-01-01

is unknown, but is generally attributed to signal peptides and chaperones. We herein demonstrate that, during targeting, most mature domains maintain loosely packed folding intermediates. These largely soluble states are signal peptide independent and essential for translocase recognition...

Critical rationalism and the state of unawareness in managers¿ theories

NARCIS (Netherlands)

Faran, D.; Faran, D.; Wijnhoven, Alphonsus B.J.M.

2012-01-01

This essay highlights the state of unawareness to which the theories held by managers are susceptible. The essay opens up the question whether the critical rationalist approach, which specifically addresses the unawareness problem in science, is indeed inadequate for organizations as commonly

Decay of hollow states in time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Kapoor, Varun; Bauer, Dieter [Institut fuer Physik, Wismarsche Str. 43-45, Universitaet Rostock, Rostock-18051 (Germany)

2012-07-01

Hollow or multiply excited states are inaccessible in time dependent density functional theory (TDDFT) using adiabatic Kohn-Sham potentials. We determine the exact Kohn Sham (KS) potential for doubly excited states in an exactly solvable model Helium atom. The exact single-particle density corresponds to the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose origin is traced back to phase of the exact KS orbital. The potential controls the barrier height and width in order for the density to tunnel out and decay with the same rate as the doubly excited state in the ab initio time-dependent Schroedinger calculation. Instead, adiabatic KS potentials only show direct photoionization but no autoionization. A frequency-dependent linear response kernel would be necessary in order to capture the decay of autoionizing states.

Intermediate neutron spectrum problems and the intermediate neutron spectrum experiment

International Nuclear Information System (INIS)

Jaegers, P.J.; Sanchez, R.G.

1996-01-01

Criticality benchmark data for intermediate energy spectrum systems does not exist. These systems are dominated by scattering and fission events induced by neutrons with energies between 1 eV and 1 MeV. Nuclear data uncertainties have been reported for such systems which can not be resolved without benchmark critical experiments. Intermediate energy spectrum systems have been proposed for the geological disposition of surplus fissile materials. Without the proper benchmarking of the nuclear data in the intermediate energy spectrum, adequate criticality safety margins can not be guaranteed. The Zeus critical experiment now under construction will provide this necessary benchmark data

Pump-dump-probe and pump-repump-probe ultrafast spectroscopy resolves cross section of an early ground state intermediate and stimulated emission in the photoreactions of the Pr ground state of the cyanobacterial phytochrome Cph1.

Science.gov (United States)

Fitzpatrick, Ann E; Lincoln, Craig N; van Wilderen, Luuk J G W; van Thor, Jasper J

2012-01-26

The primary photoreactions of the red absorbing ground state (Pr) of the cyanobacterial phytochrome Cph1 from Synechocystis PCC 6803 involve C15═C16 Z-E photoisomerization of its phycocyanobilin chromophore. The first observable product intermediate in pump-probe measurements of the photocycle, "Lumi-R", is formed with picosecond kinetics and involves excited state decay reactions that have 3 and 14 ps time constants. Here, we have studied the photochemical formation of the Lumi-R intermediate using multipulse picosecond visible spectroscopy. Pump-dump-probe (PDP) and pump-repump-probe (PRP) experiments were carried out by employing two femtosecond visible pulses with 1, 14, and 160 ps delays, together with a broadband dispersive visible probe. The time delays between the two excitation pulses have been selected to allow interaction with the dominant (3 and 14 ps) kinetic phases of Lumi-R formation. The frequency dependence of the PDP and PRP amplitudes was investigated at 620, 640, 660, and 680 nm, covering excited state absorption (λ(max) = 620 nm), ground state absorption (λ(max) = 660 nm), and stimulated emission (λ(max) = 680 nm) cross sections. Experimental double difference transient absorbance signals (ΔΔOD), from the PDP and PRP measurements, required corrections to remove contributions from ground state repumping. The sensitivity of the resulting ΔΔOD signals was systematically investigated for possible connectivity schemes and photochemical parameters. When applying a homogeneous (sequentially decaying) connectivity scheme in both the 3 and 14 ps kinetic phases, evidence for repumping of an intermediate that has an electronic ground state configuration (GSI) is taken from the dump-induced S1 formation with 620, 640, and 660 nm wavelengths and 1 and 14 ps repump delays. Evidence for repumping a GSI is also seen, for the same excitation wavelengths, when imposing a target connectivity scheme proposed in the literature for the 1 ps repump delay. In

ApoE4-specific Misfolded Intermediate Identified by Molecular Dynamics Simulations.

Directory of Open Access Journals (Sweden)

Benfeard Williams

2015-10-01

Full Text Available The increased risk of developing Alzheimer's disease (AD is associated with the APOE gene, which encodes for three variants of Apolipoprotein E, namely E2, E3, E4, differing only by two amino acids at positions 112 and 158. ApoE4 is known to be the strongest risk factor for AD onset, while ApoE3 and ApoE2 are considered to be the AD-neutral and AD-protective isoforms, respectively. It has been hypothesized that the ApoE isoforms may contribute to the development of AD by modifying the homeostasis of ApoE physiological partners and AD-related proteins in an isoform-specific fashion. Here we find that, despite the high sequence similarity among the three ApoE variants, only ApoE4 exhibits a misfolded intermediate state characterized by isoform-specific domain-domain interactions in molecular dynamics simulations. The existence of an ApoE4-specific intermediate state can contribute to the onset of AD by altering multiple cellular pathways involved in ApoE-dependent lipid transport efficiency or in AD-related protein aggregation and clearance. We present what we believe to be the first structural model of an ApoE4 misfolded intermediate state, which may serve to elucidate the molecular mechanism underlying the role of ApoE4 in AD pathogenesis. The knowledge of the structure for the ApoE4 folding intermediate provides a new platform for the rational design of alternative therapeutic strategies to fight AD.

Theory of Mind: Children's Understanding of Mental States

Science.gov (United States)

Saracho, Olivia N.

2014-01-01

For more than three decades, theory of mind (ToM) has been one of the leading and prevalent issues in developmental psychology. ToM is the ability to ascribe mental states (e.g. beliefs, intents, desires, pretending, knowledge) to oneself and others as well as to recognise that others have beliefs, desires, and intentions that differ from…

LEP constraints on grand unified theories

International Nuclear Information System (INIS)

Sarkar, Utpal

1993-01-01

Recent developments on grand unified theories (GUTs) in the context of the LEP measurements of the coupling constants are reviewed. The three coupling constants at the electroweak scale have been measured at LEP quite precisely. One can allow these couplings to evolve with energy following the renormalization group equations for the various groups and find out whether all the coupling constants meet at any energy. It was pointed out that the minimal SU(5) grand unified theory fails to satisfy this test. However, various extensions of the theory are still allowed. These extensions include (i) supersymmetric SU(5) GUT, with some arbitrariness in the susy breaking scale arising from the threshold corrections, (ii) non-susy SU(5) GUTs with additional fermions as well as Higgs multiplets, which has masses of the order of TeV, and (iii) non-renormalizable effect of gravity with a fine tuned relation among the coupling constants at the unification energy. The LEP results also constrain GUTs with an intermediate symmetry breaking scale. By adjusting the intermediate symmetry breaking scale, one usually can have unification, but these theories get constrained. For example, the left-right symmetric theories coming from GUTs can be broken only at energies higher than about ∼10 10 GeV. This implies that if right handed gauge bosons are found at energies lower than this scale, then that will rule out the possibility of grand unification. Another recent interesting development on the subject, namely, low energy unification, is discussed in this context. All the coupling constants are unified at energies of the order of ∼10 8 GeV when they are embedded in an SU(15)GUT, with some particular symmetry breaking pattern. But even in this case the results of the intermediate symmetry breaking scale remain unchanged. (author). 16 refs., 3 figs

Axially symmetric stationary black-hole states of the Einstein gravitational theory

Energy Technology Data Exchange (ETDEWEB)

Meinhardt, R [Chile Univ., Santiago. Departamento de Fisica

1976-01-01

Some aspects of the theory of black-hole states of the Einstein gravitational theory are reviewed in this paper. First explicit vacuum solutions of Einstein's field equations are searched for when the space-time admits 2 isometries (axially symmetric and stationary), which could be considered as candidates for black holes. Then the Liapounov stability of these solutions is studied. A generalization of the Ernst potential is introduced for solutions of Einstein's vacuum field equations with axial symmetry only, and this allows to construct a dynamical system. Using the theory of ''multiple integrals in the calculus of variations'' it is possible to show that the weakest casuality condition (chronology) is a necessary condition for the Liapounov stability. Finally, it is shown that the Kerr solution is Liapounov stable under a given topology.

Intermediate Filaments at the Junction of Mechanotransduction, Migration, and Development

Directory of Open Access Journals (Sweden)

Rucha Sanghvi-Shah

2017-09-01

Full Text Available Mechanically induced signal transduction has an essential role in development. Cells actively transduce and respond to mechanical signals and their internal architecture must manage the associated forces while also being dynamically responsive. With unique assembly-disassembly dynamics and physical properties, cytoplasmic intermediate filaments play an important role in regulating cell shape and mechanical integrity. While this function has been recognized and appreciated for more than 30 years, continually emerging data also demonstrate important roles of intermediate filaments in cell signal transduction. In this review, with a particular focus on keratins and vimentin, the relationship between the physical state of intermediate filaments and their role in mechanotransduction signaling is illustrated through a survey of current literature. Association with adhesion receptors such as cadherins and integrins provides a critical interface through which intermediate filaments are exposed to forces from a cell's environment. As a consequence, these cytoskeletal networks are posttranslationally modified, remodeled and reorganized with direct impacts on local signal transduction events and cell migratory behaviors important to development. We propose that intermediate filaments provide an opportune platform for cells to both cope with mechanical forces and modulate signal transduction.

Hamiltonian constraint in polymer parametrized field theory

International Nuclear Information System (INIS)

Laddha, Alok; Varadarajan, Madhavan

2011-01-01

Recently, a generally covariant reformulation of two-dimensional flat spacetime free scalar field theory known as parametrized field theory was quantized using loop quantum gravity (LQG) type ''polymer'' representations. Physical states were constructed, without intermediate regularization structures, by averaging over the group of gauge transformations generated by the constraints, the constraint algebra being a Lie algebra. We consider classically equivalent combinations of these constraints corresponding to a diffeomorphism and a Hamiltonian constraint, which, as in gravity, define a Dirac algebra. Our treatment of the quantum constraints parallels that of LQG and obtains the following results, expected to be of use in the construction of the quantum dynamics of LQG: (i) the (triangulated) Hamiltonian constraint acts only on vertices, its construction involves some of the same ambiguities as in LQG and its action on diffeomorphism invariant states admits a continuum limit, (ii) if the regulating holonomies are in representations tailored to the edge labels of the state, all previously obtained physical states lie in the kernel of the Hamiltonian constraint, (iii) the commutator of two (density weight 1) Hamiltonian constraints as well as the operator correspondent of their classical Poisson bracket converge to zero in the continuum limit defined by diffeomorphism invariant states, and vanish on the Lewandowski-Marolf habitat, (iv) the rescaled density 2 Hamiltonian constraints and their commutator are ill-defined on the Lewandowski-Marolf habitat despite the well-definedness of the operator correspondent of their classical Poisson bracket there, (v) there is a new habitat which supports a nontrivial representation of the Poisson-Lie algebra of density 2 constraints.

Entanglement distillation protocols and number theory

International Nuclear Information System (INIS)

Bombin, H.; Martin-Delgado, M.A.

2005-01-01

We show that the analysis of entanglement distillation protocols for qudits of arbitrary dimension D benefits from applying basic concepts from number theory, since the set Z D n associated with Bell diagonal states is a module rather than a vector space. We find that a partition of Z D n into divisor classes characterizes the invariant properties of mixed Bell diagonal states under local permutations. We construct a very general class of recursion protocols by means of unitary operations implementing these local permutations. We study these distillation protocols depending on whether we use twirling operations in the intermediate steps or not, and we study them both analytically and numerically with Monte Carlo methods. In the absence of twirling operations, we construct extensions of the quantum privacy algorithms valid for secure communications with qudits of any dimension D. When D is a prime number, we show that distillation protocols are optimal both qualitatively and quantitatively

The evolution of intermediate castration virulence and ant coexistence in a spatially structured environment.

Science.gov (United States)

Szilágyi, András; Scheuring, István; Edwards, David P; Orivel, Jerome; Yu, Douglas W

2009-12-01

Theory suggests that spatial structuring should select for intermediate levels of virulence in parasites, but empirical tests are rare and have never been conducted with castration (sterilizing) parasites. To test this theory in a natural landscape, we construct a spatially explicit model of the symbiosis between the ant-plant Cordia nodosa and its two, protecting ant symbionts, Allomerus and Azteca. Allomerus is also a castration parasite, preventing fruiting to increase colony fecundity. Limiting the dispersal of Allomerus and host plant selects for intermediate castration virulence. Increasing the frequency of the mutualist, Azteca, selects for higher castration virulence in Allomerus, because seeds from Azteca-inhabited plants are a public good that Allomerus exploits. These results are consistent with field observations and, to our knowledge, provide the first empirical evidence supporting the hypothesis that spatial structure can reduce castration virulence and the first such evidence in a natural landscape for either mortality or castration virulence.

Connections on the state-space over conformal field theories

International Nuclear Information System (INIS)

Ranganathan, K.; Sonoda, H.; Zwiebach, B.

1994-01-01

Motivated by the problem of background independence of closed string field theory we study geometry on the infinite vector bundle of local fields over the space of conformal field theories (CFTs). With any connection we can associate an excluded domain D for the integral of marginal operators, and an operator one-form ω μ . The pair (D, ω μ ) determines the covariant derivative of any correlator of local fields. We obtain interesting classes of connections in which ω μ 's can be written in terms of CFT data. For these connections we compute their curvatures in terms of four-point correlators, D, and ω μ . Among these connections three are of particular interest. A flat, metric compatible connection Γ, and connections c and c with non-vanishing curvature, with the latter metric compatible. The flat connection cannot be used to do parallel transport over a finite distance. Parallel transport with either c or c, however, allows us to construct a CFT in the state-space of another CFT a finite distance away. The construction is given in the form of perturbation theory manifestly free of divergences. (orig.)

Quantum Chemical Investigation of the Transition States and Intermediates for the Reaction of the Nitrosonium Ion with the Pentaammineazidocobalt(III) Ion.

Science.gov (United States)

Rotzinger, François P

2016-12-19

The water exchange reaction on Co(NH 3 ) 5 OH 2 3+ was investigated with various density functionals and basis sets. A Gibbs activation energy (ΔG ⧧ ) agreeing with experiment was obtained with the long-range-corrected functionals ωB97X-D3 and LC-BOP-LRD, SMD hydration, and modified Karlsruhe def2-TZVP basis sets. This computational technique was then applied to the reaction of NO + with Co(NH 3 ) 5 N 3 2+ . All of the possible pathways were investigated, NO + attack at the terminal N of Co(NH 3 ) 5 N 3 2+ via the E and the Z isomers of the transition states, and NO + attack at the bound N of azide, also via both isomers. The most favorable pathway proceeds via the attack at the bound N via the Z isomer. This leads to the intermediate with an oxatetrazole ligand bound to Co(III) at the N in the 3-position, Co(NH 3 ) 5 (cycl-N 4 O) 3+ , which undergoes N 2 elimination to yield the Co(NH 3 ) 5 N 2 O 3+ intermediate. The subsequent substitution of N 2 O by water follows the I d mechanism with retention of the configuration. No evidence for the existence of the square-pyramidal pentacoordinated intermediate Co(NH 3 ) 5 3+ was found. All of the investigated intermediates, Co(NH 3 ) 5 N 2 3+ , Co(NH 3 ) 5 [E-N(N 2 )(NO)] 3+ , Co(NH 3 ) 5 (E-ON 4 ) 3+ , Co(NH 3 ) 5 ON 2 3+ , Co(NH 3 ) 5 (cycl-N 4 O) 3+ , and Co(NH 3 ) 5 N 2 O 3+ , exhibit short lifetimes of less than ∼60 μs and react via the I d mechanism.

The Path of Carbon in Photosynthesis XVI. Kinetic Relationships of the Intermediates in Steady State Photosynthesis

Science.gov (United States)

Benson, A. A.; Kawaguchi, S.; Hayes, P.; Calvin, M.

1952-06-05

A kinetic study of the accumulation of C{sup 14} in the intermediates of steady state photosynthesis in C{sup 14}O{sub 2} provides information regarding the sequence of reactions involved. The work described applied the radio-chromatographic technique for analysis of the labeled early products. The simultaneous carboxylation reaction resulting in malic acid as well as phosphoglycerate is demonstrated in experiments at high light intensity. A comparison of radioactivities in a number of phosphorylated sugars as a function of time reveals concurrent synthesis of fructose and sedoheptulose phosphates followed by that of ribulose phosphates and later by that of glucose phosphates. The possibility that the cleavage of C{sub 4} compounds to C{sub 2} carbon dioxide acceptors may involve C{sub 7} and C{sub 5} sugars and evidence for this mechanism is presented.

Transport description of intermediate processes in heavy ion collisions

International Nuclear Information System (INIS)

Ayik, S.; Shivakumar, B.; Shapira, D.

1986-01-01

An extension of the diffusion model is proposed in order to describe the intermediate processes and the compound nucleus formation in heavy ion collisions. The model describes the intermediate processes and fusion in terms of the formation and the evolution of a long-lived dinuclear molecular complex (DMC) and its subsequent decay by fragmentation. The colliding ions can be trapped into the pocket of the entrance channel nucleus-nucleus potential and a DMC is formed. This DMC acts as a doorway state towards formation of a completely equilibrated compound nucleus (CN). It evolves through the exchange of nucleons to different dinuclear configurations. At each stage of its evolution, there is a finite probability for direct fragmentation into outgoing channels by thermal penetration over the barrier. The doorway states that do not fragment relax into a CN configuration and are identified as the fusion yield. 8 refs

Decamethylytterbocene Complexes of Bipyridines and Diazabutadienes: Multiconfigurational Ground States and Open-Shell Singlet Formation

Energy Technology Data Exchange (ETDEWEB)

Booth, Corwin H.; Walter, Marc D.; Kazhdan, Daniel; Hu, Yung-Jin; Lukens, Wayne W.; Bauer, Eric D.; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.

2009-04-22

Partial ytterbium f-orbital occupancy (i.e., intermediate valence) and open-shell singlet formation are established for a variety of bipyridine and diazabutadiene adducts with decamethylytterbocene, (C5Me5)2Yb, abbreviated as Cp*2Yb. Data used to support this claim include ytterbium valence measurements using Yb LIII-edge X-ray absorption near-edge structure spectroscopy, magnetic susceptibility, and complete active space self-consistent field (CASSCF) multiconfigurational calculations, as well as structural measurements compared to density functional theory calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground-state wave function that has both an open-shell singlet f13(?*)1, where pi* is the lowest unoccupied molecular orbital of the bipyridine or dpiazabutadiene ligands, and a closed-shell singlet f14 component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the lack of temperature dependence of the measured intermediate valence. These results have implications for understanding chemical bonding not only in organolanthanide complexes but also for f-element chemistry in general, as well as understanding magnetic interactions in nanoparticles and devices.

Decamethylytterbocene complexes of bipyridines and diazabutadines: multiconfigurational ground states and open-shell singlet formation

Energy Technology Data Exchange (ETDEWEB)

Bauer, Eric D [Los Alamos National Laboratory; Booth, C H [LBNL; Walter, M D [LBNL; Kazhdan, D [LBNL; Hu, Y - J [LBNL; Lukens, Wayne [LBNL; Maron, Laurent [INSA TOULOUSE; Eisentein, Odile [UNIV MONTPELLIER 2; Anderson, Richard [LBNL

2009-01-01

Partial ytterbium f-orbital occupancy (i.e. intermediate valence) and open-shell singlet Draft 12/formation are established for a variety of bipyridine and diazabutadiene adducts to decamethylytterbocene, (C{sub 5}Me{sub 5}){sub 2}Yb or Cp*{sub 2}Yb. Data used to support this claim includes ytterbium valence measurements using Yb Lm-edge x-ray absorption near-edge structure (XANES) spectroscopy, magnetic susceptibility and Complete Active Space Self-Consistent Field (CASSCF) multi configurational calculations, as well as structural measurements compared to density-functional theory (DFT) calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground state wave function that has both an open-shell singlet f{sup 13} and a closed-shell singlet f{sup 14} component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the presence of intermediate valence and its lack of any significant temperature dependence. These results have implications for understanding chemical bonding not only in organolanthanide complexes, but also for organometallic chemistry in general, as well as understanding magnetic interactions in nanopartic1es and devices.

Mode-mode coupling theory of itinerant electron antiferromagnetism in superconducting state

International Nuclear Information System (INIS)

Fujimoto, Yukinobu; Miyake, Kazumasa

2012-01-01

It has been considered since the first discovery of a high-T c cuprate that an antiferromagnetic (AF) state and a superconducting (SC) state are separated in it. However, it is very intriguing that the coexistence of the AF and SC states has recently been observed in HgBa 2 Ca 4 Cu 5 O 12+ (Hg-1245). Moreover, it is very novel that this coexistence of these two states appears if the SC-transition temperature T c is higher than the AF-transition temperature T N . The mode-mode coupling theory can provide a clear elucidation of this novel phenomenon. A key point of this theory is that the AF susceptibility consists of the random-phase-approximation (RPA) term and the mode-mode coupling one. The RPA term works to make a positive contribution to the emergence of the antiferromagnetic critical point (AF-CP). In contrast, the mode-mode coupling term works to make a negative contribution to the emergence of the AF-CP. However, the growth of the SC-gap function in the d x 2 -y 2 -wave SC state works to suppress the negative contribution of the mode-mode coupling term to the emergence of the AF-CP. Moreover, the effect of SC fluctuations near the SC-transition temperature T c suppresses the mode-mode coupling term of the AF susceptibility that works to hinder the AF ordering. For these two reasons, there is a possibility that the d x 2 -y 2 -wave SC state is likely to promote the emergence of the AF-CP. Namely, the appearance of the above-mentioned novel coexistence of the AF and SC states observed in Hg-1245 can be explained qualitatively on the basis of this idea.

Unitary group adapted state specific multireference perturbation theory: Formulation and pilot applications.

Science.gov (United States)

Sen, Avijit; Sen, Sangita; Samanta, Pradipta Kumar; Mukherjee, Debashis

2015-04-05

We present here a comprehensive account of the formulation and pilot applications of the second-order perturbative analogue of the recently proposed unitary group adapted state-specific multireference coupled cluster theory (UGA-SSMRCC), which we call as the UGA-SSMRPT2. We also discuss the essential similarities and differences between the UGA-SSMRPT2 and the allied SA-SSMRPT2. Our theory, like its parent UGA-SSMRCC formalism, is size-extensive. However, because of the noninvariance of the theory with respect to the transformation among the active orbitals, it requires the use of localized orbitals to ensure size-consistency. We have demonstrated the performance of the formalism with a set of pilot applications, exploring (a) the accuracy of the potential energy surface (PES) of a set of small prototypical difficult molecules in their various low-lying states, using natural, pseudocanonical and localized orbitals and compared the respective nonparallelity errors (NPE) and the mean average deviations (MAD) vis-a-vis the full CI results with the same basis; (b) the efficacy of localized active orbitals to ensure and demonstrate manifest size-consistency with respect to fragmentation. We found that natural orbitals lead to the best overall PES, as evidenced by the NPE and MAD values. The MRMP2 results for individual states and of the MCQDPT2 for multiple states displaying avoided curve crossings are uniformly poorer as compared with the UGA-SSMRPT2 results. The striking aspect of the size-consistency check is the complete insensitivity of the sum of fragment energies with given fragment spin-multiplicities, which are obtained as the asymptotic limit of super-molecules with different coupled spins. © 2015 Wiley Periodicals, Inc.

Investigation of the O+allyl addition/elimination reaction pathways from the OCH2CHCH2 radical intermediate

International Nuclear Information System (INIS)

FitzPatrick, Benjamin L.; Lau, K.-C.; Butler, Laurie J.; Lee, S.-H.; Lin, Jim Jr-Min

2008-01-01

These experiments study the preparation of and product channels resulting from OCH 2 CHCH 2 , a key radical intermediate in the O+allyl bimolecular reaction. The data include velocity map imaging and molecular beam scattering results to probe the photolytic generation of the radical intermediate and the subsequent pathways by which the radicals access the energetically allowed product channels of the bimolecular reaction. The photodissociation of epichlorohydrin at 193.3 nm produces chlorine atoms and c-OCH 2 CHCH 2 radicals; these undergo a facile ring opening to the OCH 2 CHCH 2 radical intermediate. State-selective resonance-enhanced multiphoton ionization (REMPI) detection resolves the velocity distributions of ground and spin-orbit excited state chlorine independently, allowing for a more accurate determination of the internal energy distribution of the nascent radicals. We obtain good agreement detecting the velocity distributions of the Cl atoms with REMPI, vacuum ultraviolet (VUV) photoionization at 13.8 eV, and electron bombardment ionization; all show a bimodal distribution of recoil kinetic energies. The dominant high recoil kinetic energy feature peaks near 33 kcal/mol. To elucidate the product channels resulting from the OCH 2 CHCH 2 radical intermediate, the crossed laser-molecular beam experiment uses VUV photoionization and detects the velocity distribution of the possible products. The data identify the three dominant product channels as C 3 H 4 O (acrolein)+H, C 2 H 4 +HCO (formyl radical), and H 2 CO (formaldehyde)+C 2 H 3 . A small signal from C 2 H 2 O (ketene) product is also detected. The measured velocity distributions and relative signal intensities at m/e=27, 28, and 29 at two photoionization energies show that the most exothermic product channel, C 2 H 5 +CO, does not contribute significantly to the product branching. The higher internal energy onset of the acrolein+H product channel is consistent with the relative barriers en route to

Investigation of the O+allyl addition/elimination reaction pathways from the OCH2CHCH2 radical intermediate

Science.gov (United States)

Fitzpatrick, Benjamin L.; Lau, Kai-Chung; Butler, Laurie J.; Lee, Shih-Huang; Lin, Jim-Min, Jr.

2008-08-01

These experiments study the preparation of and product channels resulting from OCH2CHCH2, a key radical intermediate in the O+allyl bimolecular reaction. The data include velocity map imaging and molecular beam scattering results to probe the photolytic generation of the radical intermediate and the subsequent pathways by which the radicals access the energetically allowed product channels of the bimolecular reaction. The photodissociation of epichlorohydrin at 193.3 nm produces chlorine atoms and c-OCH2CHCH2 radicals; these undergo a facile ring opening to the OCH2CHCH2 radical intermediate. State-selective resonance-enhanced multiphoton ionization (REMPI) detection resolves the velocity distributions of ground and spin-orbit excited state chlorine independently, allowing for a more accurate determination of the internal energy distribution of the nascent radicals. We obtain good agreement detecting the velocity distributions of the Cl atoms with REMPI, vacuum ultraviolet (VUV) photoionization at 13.8 eV, and electron bombardment ionization; all show a bimodal distribution of recoil kinetic energies. The dominant high recoil kinetic energy feature peaks near 33 kcal/mol. To elucidate the product channels resulting from the OCH2CHCH2 radical intermediate, the crossed laser-molecular beam experiment uses VUV photoionization and detects the velocity distribution of the possible products. The data identify the three dominant product channels as C3H4O (acrolein)+H, C2H4+HCO (formyl radical), and H2CO (formaldehyde)+C2H3. A small signal from C2H2O (ketene) product is also detected. The measured velocity distributions and relative signal intensities at m/e=27, 28, and 29 at two photoionization energies show that the most exothermic product channel, C2H5+CO, does not contribute significantly to the product branching. The higher internal energy onset of the acrolein+H product channel is consistent with the relative barriers en route to each of these product channels

Wigner's dynamical transition state theory in phase space : classical and quantum

NARCIS (Netherlands)

Waalkens, Holger; Schubert, Roman; Wiggins, Stephen

We develop Wigner's approach to a dynamical transition state theory in phase space in both the classical and quantum mechanical settings. The key to our development is the construction of a normal form for describing the dynamics in the neighbourhood of a specific type of saddle point that governs

Evidence for a Shared Mechanism in the Formation of Urea-Induced Kinetic and Equilibrium Intermediates of Horse Apomyoglobin from Ultrarapid Mixing Experiments

Science.gov (United States)

Mizukami, Takuya; Abe, Yukiko; Maki, Kosuke

2015-01-01

In this study, the equivalence of the kinetic mechanisms of the formation of urea-induced kinetic folding intermediates and non-native equilibrium states was investigated in apomyoglobin. Despite having similar structural properties, equilibrium and kinetic intermediates accumulate under different conditions and via different mechanisms, and it remains unknown whether their formation involves shared or distinct kinetic mechanisms. To investigate the potential mechanisms of formation, the refolding and unfolding kinetics of horse apomyoglobin were measured by continuous- and stopped-flow fluorescence over a time range from approximately 100 μs to 10 s, along with equilibrium unfolding transitions, as a function of urea concentration at pH 6.0 and 8°C. The formation of a kinetic intermediate was observed over a wider range of urea concentrations (0–2.2 M) than the formation of the native state (0–1.6 M). Additionally, the kinetic intermediate remained populated as the predominant equilibrium state under conditions where the native and unfolded states were unstable (at ~0.7–2 M urea). A continuous shift from the kinetic to the equilibrium intermediate was observed as urea concentrations increased from 0 M to ~2 M, which indicates that these states share a common kinetic folding mechanism. This finding supports the conclusion that these intermediates are equivalent. Our results in turn suggest that the regions of the protein that resist denaturant perturbations form during the earlier stages of folding, which further supports the structural equivalence of transient and equilibrium intermediates. An additional folding intermediate accumulated within ~140 μs of refolding and an unfolding intermediate accumulated in <1 ms of unfolding. Finally, by using quantitative modeling, we showed that a five-state sequential scheme appropriately describes the folding mechanism of horse apomyoglobin. PMID:26244984

Calculation of fluctuations and photoemission properties in a tetrahedral-cluster model for an intermediate-valence system

International Nuclear Information System (INIS)

Reich, A.; Falicov, L.M.

1986-01-01

An exact solution of a four-site tetrahedral-crystal model, the smallest face-centered-cubic crystal, is presented in the case of an intermediate-valence system. The model consists of the following: (a) one extended orbital and one localized orbital per atom, (b) an interatomic transfer term between extended orbitals, (c) an interatomic hybridization between the localized and extended orbitals, (d) strong intra-atomic Coulomb repulsion between opposite-spin localized states, and (e) intermediate-strength intra-atomic Coulomb repulsion between the localized and extended states. These competing effects are examined as they manifest themselves in the intermediate-valence, photoemission, inverse-photoemission, and thermodynamic properties

Molecular-state close-coupling theory including continuum states. I. Derivation of close-coupled equations

International Nuclear Information System (INIS)

Thorson, W.R.; Bandarage, G.

1988-01-01

We formulate a close-coupling theory of slow ion-atom collisions based on molecular (adiabatic) electronic states, and including the electronic continuum. The continuum is represented by packet states spanning it locally and constructed explicitly from exact continuum states. Particular attention is given to two fundamental questions: (1) Unbound electrons can escape from the local region spanned by the packet states. We derive close-coupled integral equations correctly including the escape effects; the ''propagator'' generated by these integral equations does not conserve probability within the close-coupled basis. Previous molecular-state formulations including the continuum give no account of escape effects. (2) Nonadiabatic couplings of adiabatic continuum states with the same energy are singular, reflecting the fact that an adiabatic description of continuum behavior is not valid outside a local region. We treat these singularities explicitly and show that an accurate representation of nonadiabatic couplings within the local region spanned by a set of packet states is well behaved. Hence an adiabatic basis-set description can be used to describe close coupling to the continuum in a local ''interaction region,'' provided the effects of escape are included. In principle, the formulation developed here can be extended to a large class of model problems involving many-electron systems and including models for Penning ionization and collisional detachment processes

Detecting Elusive Intermediates in Carbohydrate Conversion: A Dynamic Ensemble of Acyclic Glucose-Catalyst Complexes

DEFF Research Database (Denmark)

Meier, Sebastian; Karlsson, Magnus; Jensen, Pernille Rose

2017-01-01

within few seconds prior to reaching a steady state. Exchange between the acyclic intermediates increases at conditions that favor epimerization. Species accounting for less than 0.05% of total glucose can be monitored with sub-second time resolution to allow kinetic analysis of intermediate formation...... and catalytic conversion. Epimerization occurs 2-3 orders of magnitude-fold faster than the binding of acyclic glucose to the catalyst at near-optimum reaction conditions. The current study brings insight in to the nature of acyclic intermediate-catalyst complexes of very low population and into experimental...... strategies for characterizing very minor intermediates in carbohydrate conversion to value-added compounds....

Mother and Infant Talk about Mental States: Systemic Emergence of Psychological Lexicon and Theory of Mind Understanding

Science.gov (United States)

Rollo, D.; Buttiglieri, F.

In recent years, a number of studies that have examined how social experiences are related to children's theory of mind development, have found that: (1) the frequency of mothers' mental state utterances used in mother-child picture-book reading, is correlated with children's theory of mind abilities; (2) mothers' use of cognitive terms is related more strongly to children's theory of mind performances than the mothers' references to other mental states, such as desires or emotions (Adrian, Clemente, Villanueva, Rieffe, 2005; Ruffman, Slade, Crowe, 2002; Taumoepeau, Ruffman, 2006; Dunn, 2002). Despite the evidence for the role of mothers' language, there is disagreement over how exactly it improves children's theory of mind development. In short, mentalistic comments contain distinctive words, grammatical constructions and pragmatic features. The question is, however, which factor is critical (de Rosnay, Pons, Harris, Morrell, 2004). The present study addresses this issue and focuses on relationship between mothers' mental state terms and children's performances in theory of mind tasks (emotion understanding and false belief tasks). Mothers were asked to read some pictures to 10 children between 3;0 and 5;0. Among the different mental state references (perceptual, emotional, volitional, cognitive, moral and communicative), it was found that the frequency and variety of mothers' mental state words were significantly associated with children's mental lexicon. In addition, emotional terms correlated positively with children's false belief performance. Kind of emotional words that are used by the mothers with reference to the Italian language will be discussed.

On the symmetry algebra of the discrete states in d<2 closed string theory

International Nuclear Information System (INIS)

Panda, S.; Roy, S.

1993-01-01

The symmetry charges associated with the Lian-Zuckerman states for d<2 closed string theory are constructed. Unlike in the open string case, it is shown here that the symmetry charges commute among themselves and act trivially on all the physical states. (author). 19 refs

Toward a theory of leadership and state building.

Science.gov (United States)

Myerson, Roger B

2011-12-27

We present a theory of the state based on political leadership and reputational equilibria. A political leader first needs a reputation for reliably rewarding loyal supporters. Reputational expectations between political leaders and their supporters become the fundamental political laws on which the enforcement of all other constitutional laws may be based. Successful democratic development requires a plentiful supply of leaders who have good reputations for using public funds responsibly to serve the public at large and not just giving jobs to their active supporters. It is argued that decentralized democracy may be the best way to improve the chances for successful democracy.

Magnetic edge states in MoS2 characterized using density-functional theory

DEFF Research Database (Denmark)

Vojvodic, Aleksandra; Hinnemann, B.; Nørskov, Jens Kehlet

2009-01-01

It is known that the edges of a two-dimensional slab of insulating MoS2 exhibit one-dimensional metallic edge states, the so-called "brim states." Here, we find from density-functional theory calculations that several edge structures, which are relevant for the hydrodesulfurization process......, are magnetic. The magnetism is an edge phenomenon associated with certain metallic edge states. Interestingly, we find that among the two low-index edges, only the S edge displays magnetism under hydrodesulfurization conditions. In addition, the implications of this on the catalytic activity are investigated...

General Theory of Decoy-State Quantum Cryptography with Dark Count Rate Fluctuation

International Nuclear Information System (INIS)

Xiang, Gao; Shi-Hai, Sun; Lin-Mei, Liang

2009-01-01

The existing theory of decoy-state quantum cryptography assumes that the dark count rate is a constant, but in practice there exists fluctuation. We develop a new scheme of the decoy state, achieve a more practical key generation rate in the presence of fluctuation of the dark count rate, and compare the result with the result of the decoy-state without fluctuation. It is found that the key generation rate and maximal secure distance will be decreased under the influence of the fluctuation of the dark count rate

Quantum computation via local control theory: Direct sum vs. direct product Hilbert spaces

International Nuclear Information System (INIS)

Sklarz, Shlomo E.; Tannor, David J.

2006-01-01

The central objective in any quantum computation is the creation of a desired unitary transformation; the mapping that this unitary transformation produces between the input and output states is identified with the computation. In [S.E. Sklarz, D.J. Tannor, arXiv:quant-ph/0404081 (submitted to PRA) (2004)] it was shown that local control theory can be used to calculate fields that will produce such a desired unitary transformation. In contrast with previous strategies for quantum computing based on optimal control theory, the local control scheme maintains the system within the computational subspace at intermediate times, thereby avoiding unwanted decay processes. In [S.E. Sklarz et al.], the structure of the Hilbert space had a direct sum structure with respect to the computational register and the mediating states. In this paper, we extend the formalism to the important case of a direct product Hilbert space. The final equations for the control algorithm for the two cases are remarkably similar in structure, despite the fact that the derivations are completely different and that in one case the dynamics is in a Hilbert space and in the other case the dynamics is in a Liouville space. As shown in [S.E. Sklarz et al.], the direct sum implementation leads to a computational mechanism based on virtual transitions, and can be viewed as an extension of the principles of Stimulated Raman Adiabatic Passage from state manipulation to evolution operator manipulation. The direct product implementation developed here leads to the intriguing concept of virtual entanglement - computation that exploits second-order transitions that pass through entangled states but that leaves the subsystems nearly separable at all intermediate times. Finally, we speculate on a connection between the algorithm developed here and the concept of decoherence free subspaces

The intermediate state in Paul

Directory of Open Access Journals (Sweden)

N. S. L. Fryer

1987-01-01

Full Text Available The point of view taken in this paper is that the apostle Paul envisions, between death and the resurrection of the body at the Parousia, an interim period during which the disembodied soul is in the immediate presence of Christ, though in a state of 'nakedness'. The background of Paul's view lies neither in contemporary Hellenistic religious-philosophical speculations nor in 'late-Judaism'. Two crucial 'forces' in particular moulded his perspective, viz the teachings of Jesus and His own rapture to 'Paradise'.

Coherent states with classical motion: from an analytic method complementary to group theory

International Nuclear Information System (INIS)

Nieto, M.M.

1982-01-01

From the motivation of Schroedinger, that of finding states which follow the motion which a classical particle would have in a given potential, we discuss generalizations of the coherent states of the harmonic oscillator. We focus on a method which is the analytic complement to the group theory point of view. It uses a minimum uncertainty formalism as its basis. We discuss the properties and time evolution of these states, always keeping in mind the desire to find quantum states which follow the classical motion

Theory of warm ionized gases: equation of state and kinetic Schottky anomaly.

Science.gov (United States)

Capolupo, A; Giampaolo, S M; Illuminati, F

2013-10-01

Based on accurate Lennard-Jones-type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analog in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed. In particular, the predicted plasma electron density in a sonoluminescent bubble turns out to be in good agreement with the value measured in recent experiments.

Landau-like theory for universality of critical exponents in quasistationary states of isolated mean-field systems.

Science.gov (United States)

Ogawa, Shun; Yamaguchi, Yoshiyuki Y

2015-06-01

An external force dynamically drives an isolated mean-field Hamiltonian system to a long-lasting quasistationary state, whose lifetime increases with population of the system. For second order phase transitions in quasistationary states, two nonclassical critical exponents have been reported individually by using a linear and a nonlinear response theories in a toy model. We provide a simple way to compute the critical exponents all at once, which is an analog of the Landau theory. The present theory extends the universality class of the nonclassical exponents to spatially periodic one-dimensional systems and shows that the exponents satisfy a classical scaling relation inevitably by using a key scaling of momentum.

Prerequisite Change and Its Effect on Intermediate Accounting Performance

Science.gov (United States)

Huang, Jiunn; O'Shaughnessy, John; Wagner, Robin

2005-01-01

As of Fall 1996, San Francisco State University changed its introductory financial accounting course to focus on a "user's" perspective, de-emphasizing the accounting cycle. Anticipating that these changes could impair subsequent performance, the Department of Accounting instituted a new prerequisite for intermediate accounting: Students would…

Intermediate-energy nuclear theory. Final report, July 1, 1976-August 31, 1984

International Nuclear Information System (INIS)

Bryan, R.A.

1985-02-01

We summarize the research accomplishments of the Texas A and M Medium-Energy Theory Group which was funded by the Department of Energy from July 1976 through August 1984. Our research was mainly in the area of nucleon-nucleon and NNπ theory and data analysis, although some effort was also devoted to the elementary-particle aspects of these hadrons in order to better understand the NN force. Publications and reports are listed

Variational approach to excitation of atomic hydrogen atoms by impacts of protons at intermediate velocities

International Nuclear Information System (INIS)

Lasri, B.; Bouamoud, M.; Gayet, R.

2006-01-01

A variational approach to the excitation of atoms by ion impacts at intermediate velocities is re-examined. Contributions from intermediate states of the target continuum, that were ignored in previous applications of this approach, are taken into account. With this improved variational approach, excitation cross sections of hydrogen atoms by intermediate energy protons are calculated and compared to recent experimental data and to previous theoretical cross sections. The influence of the intermediate target continuum is found to be very weak. In addition, the present approach is shown to apply as long as the capture process is negligible

Agarose Gel Electrophoresis Reveals Structural Fluidity of a Phage T3 DNA Packaging Intermediate

Science.gov (United States)

Serwer, Philip; Wright, Elena T.

2012-01-01

We find a new aspect of DNA packaging-associated structural fluidity for phage T3 capsids. The procedure is (1) glutaraldehyde cross-linking of in vivo DNA packaging intermediates for stabilization of structure and then (2) determining of effective radius by two-dimensional agarose gel electrophoresis (2d-AGE). The intermediates are capsids with incompletely packaged DNA (ipDNA) and without an external DNA segment; these intermediates are called ipDNA-capsids. We initially increase production of ipDNA-capsids by raising NaCl concentration during in vivo DNA packaging. By 2d-AGE, we find a new state of contracted shell for some particles of one previously identified ipDNA-capsid. The contracted shell-state is found when ipDNA length/mature DNA length (F) is above 0.17, but not at lower F. Some contracted-shell ipDNA-capsids have the phage tail; others do not. The contracted-shell ipDNA-capsids are explained by premature DNA maturation cleavage that makes accessible a contracted-shell intermediate of a cycle of the T3 DNA packaging motor. The analysis of ipDNA-capsids, rather than intermediates with uncleaved DNA, provides a simplifying strategy for a complete biochemical analysis of in vivo DNA packaging. PMID:22222979

Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds

International Nuclear Information System (INIS)

Palacios, P.; Sanchez, K.; Conesa, J.C.; Fernandez, J.J.; Wahnon, P.

2007-01-01

Electronic structure calculations are carried out for CuGaS 2 partially substituted with Ti, V, Cr or Mn to ascertain if some of these systems could provide an intermediate band material able to give a high efficiency photovoltaic cell. Trends in electronic level positions are analyzed and more accurate advanced theory levels (exact exchange or Hubbard-type methods) are used in some cases. The Ti-substituted system seems more likely to yield an intermediate band material with the desired properties, and furthermore seems realizable from the thermodynamic point of view, while those with Cr and Mn might give half-metal structures with applications in spintronics

Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds

Energy Technology Data Exchange (ETDEWEB)

Palacios, P [Instituto de Energia Solar and Dpt. de Tecnologias Especiales, ETSI de Telecomunicacion, UPM, Ciudad Universitaria s/n, 28040 Madrid (Spain); Sanchez, K [Instituto de Energia Solar and Dpt. de Tecnologias Especiales, ETSI de Telecomunicacion, UPM, Ciudad Universitaria s/n, 28040 Madrid (Spain); Conesa, J C [Instituto de Catalisis y Petroleoquimica, CSIC, Marie Curie 2, Cantoblanco, 28049 Madrid (Spain); Fernandez, J J [Dpt. de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, 28080, Madrid (Spain); Wahnon, P [Instituto de Energia Solar and Dpt. de Tecnologias Especiales, ETSI de Telecomunicacion, UPM, Ciudad Universitaria s/n, 28040 Madrid (Spain)

2007-05-31

Electronic structure calculations are carried out for CuGaS{sub 2} partially substituted with Ti, V, Cr or Mn to ascertain if some of these systems could provide an intermediate band material able to give a high efficiency photovoltaic cell. Trends in electronic level positions are analyzed and more accurate advanced theory levels (exact exchange or Hubbard-type methods) are used in some cases. The Ti-substituted system seems more likely to yield an intermediate band material with the desired properties, and furthermore seems realizable from the thermodynamic point of view, while those with Cr and Mn might give half-metal structures with applications in spintronics.

Make or mix to order: Determining the type of intermediate products in a flour mill

DEFF Research Database (Denmark)

Akkerman, Renzo; van der Meer, Dirk; van Donk, Dirk Pieter

2008-01-01

In contrast to discrete manufacturers, food-processing companies can sometimes produce the same end products in different ways: either mix early and process or process first and mix later. Moreover, a product can be mixed from different raw materials or intermediates. That implies that choices can...... be made not only with regard to where to store, but also what to store, which is currently not covered in Decoupling Point (DP) theory. This paper explores this joint problem for a flour mill. The number and type of intermediate products in the DP is determined using a two-stage mathematical program...

Control of concerted two bond versus single bond dissociation in CH3Co(CO)4 via an intermediate state using pump-dump laser pulses

Science.gov (United States)

Ambrosek, David; González, Leticia

2007-10-01

Wavepacket propagations on ab initio multiconfigurational two-dimensional potential energy surfaces for CH3Co(CO)4 indicate that after irradiation to the lowest first and second electronic excited states, concerted dissociation of CH3 and the axial CO ligand takes place. We employ a pump-dump sequence of pulses with appropriate frequencies and time delays to achieve the selective breakage of a single bond by controlling the dissociation angle. The pump and dump pulse sequence exploits the unbound surface where dissociation occurs in a counterintuitive fashion; stretching of one bond in an intermediate state enhances the single dissociation of the other bond.

Control of concerted two bond versus single bond dissociation in CH(3)Co(CO)(4) via an intermediate state using pump-dump laser pulses.

Science.gov (United States)

Ambrosek, David; González, Leticia

2007-10-07

Wavepacket propagations on ab initio multiconfigurational two-dimensional potential energy surfaces for CH(3)Co(CO)(4) indicate that after irradiation to the lowest first and second electronic excited states, concerted dissociation of CH(3) and the axial CO ligand takes place. We employ a pump-dump sequence of pulses with appropriate frequencies and time delays to achieve the selective breakage of a single bond by controlling the dissociation angle. The pump and dump pulse sequence exploits the unbound surface where dissociation occurs in a counterintuitive fashion; stretching of one bond in an intermediate state enhances the single dissociation of the other bond.

PADÉ APPROXIMANTS FOR THE EQUATION OF STATE FOR RELATIVISTIC HYDRODYNAMICS BY KINETIC THEORY

Energy Technology Data Exchange (ETDEWEB)

Tsai, Shang-Hsi; Yang, Jaw-Yen, E-mail: shanghsi@gmail.com [Institute of Applied Mechanics, National Taiwan University, Taipei 10764, Taiwan (China)

2015-07-20

A two-point Padé approximant (TPPA) algorithm is developed for the equation of state (EOS) for relativistic hydrodynamic systems, which are described by the classical Maxwell–Boltzmann statistics and the semiclassical Fermi–Dirac statistics with complete degeneracy. The underlying rational function is determined by the ratios of the macroscopic state variables with various orders of accuracy taken at the extreme relativistic limits. The nonunique TPPAs are validated by Taub's inequality for the consistency of the kinetic theory and the special theory of relativity. The proposed TPPA is utilized in deriving the EOS of the dilute gas and in calculating the specific heat capacity, the adiabatic index function, and the isentropic sound speed of the ideal gas. Some general guidelines are provided for the application of an arbitrary accuracy requirement. The superiority of the proposed TPPA is manifested in manipulating the constituent polynomials of the approximants, which avoids the arithmetic complexity of struggling with the modified Bessel functions and the hyperbolic trigonometric functions arising from the relativistic kinetic theory.

Intermediality and media change

OpenAIRE

2012-01-01

This book is about intermediality as an approach to analysing and understanding media change. Intermediality and Media Change is critical of technological determinism that characterises 'new media discourse' about the ongoing digitalization, framed as a revolution and creating sharp contrasts between old and new media. Intermediality instead emphasises paying attention to continuities between media of all types and privileges a comparative perspective on technological changes in media over ti...

Effect of Zb states on ϒ (3 S )→ϒ (1 S )π π decays

Science.gov (United States)

Chen, Yun-Hua; Daub, Johanna T.; Guo, Feng-Kun; Kubis, Bastian; Meißner, Ulf-G.; Zou, Bing-Song

2016-02-01

Within the framework of dispersion theory, we analyze the dipion transitions between the lightest ϒ states, ϒ (n S )→ϒ (m S )π π with m intermediate bottomoniumlike exotic states Zb(10610 ) and Zb(10650 ). The π π rescattering effects are taken into account in a model-independent way using dispersion theory. We confirm that matching the dispersive representation to the leading chiral amplitude alone cannot reproduce the peculiar two-peak π π mass spectrum of the decay ϒ (3 S )→ϒ (1 S )π π . The existence of the bottomoniumlike Zb states can naturally explain this anomaly. We also point out the necessity of a proper extraction of the coupling strengths for the Zb states to ϒ (n S )π , which is only possible if a Flatté-like parametrization is used in the data analysis for the Zb states.

Trade Liberalization, Skill-linked Intermediate and Two-sided Wage Gap

OpenAIRE

Sugata Marjit; Rajat Achryya

2005-01-01

An interesting contemporary research question in trade theory deals with the possibility of rising wage inequality across the globe. A few possible explanations have been provided so far. We provide a natural explanation and a rigorous proof of the phenomenon by arguing that liberalizing trade in skill-linked intermediate product is likely to increase skilled-unskilled wage gap across the globe. Our model has the feature that a trade-induced shock can reduce the price of the skill-intensive t...

High resolution NMR theory and chemical applications

CERN Document Server

Becker, Edwin D

1999-01-01

High Resolution NMR provides a broad treatment of the principles and theory of nuclear magnetic resonance (NMR) as it is used in the chemical sciences. It is written at an "intermediate" level, with mathematics used to augment, rather than replace, clear verbal descriptions of the phenomena. The book is intended to allow a graduate student, advanced undergraduate, or researcher to understand NMR at a fundamental level, and to see illustrations of the applications of NMR to the determination of the structure of small organic molecules and macromolecules, including proteins. Emphasis is on the study of NMR in liquids, but the treatment also includes high resolution NMR in the solid state and the principles of NMR imaging and localized spectroscopy. Careful attention is given to developing and interrelating four approaches - steady state energy levels, the rotating vector picture, the density matrix, and the product operator formalism. The presentation is based on the assumption that the reader has an acquaintan...

Interactions in 2D electron and hole systems in the intermediate and ballistic regimes

International Nuclear Information System (INIS)

Proskuryakov, Y Y; Savchenko, A K; Safonov, S S; Li, L; Pepper, M; Simmons, M Y; Ritchie, D A; Linfield, E H; Kvon, Z D

2003-01-01

In different 2D semiconductor systems we study the interaction correction to the Drude conductivity in the intermediate and ballistic regimes, where the parameter k B Tτ/ h-bar changes from 0.1 to 10 (τ is momentum relaxation time). The temperature dependence of the resistance and magnetoresistance in parallel and perpendicular magnetic fields is analysed in terms of the recent theories of electron-electron interactions in systems with different degree of disorder and different character of the fluctuation potential. Generally, good agreement is found between the experiments and the theories

Intermediate Fragment

DEFF Research Database (Denmark)

Kruse Aagaard, Anders

2015-01-01

This text and its connected exhibition are aiming to reflect both on the thoughts, the processes and the outcome of the design and production of the artefact ‘Intermediate Fragment’ and making as a contemporary architectural tool in general. Intermediate Fragment was made for the exhibition ‘Enga...... of realising an exhibition object was conceived, but expanded, refined and concretised through this process. The context of the work shown here is an interest in a tighter, deeper connection between experimentally obtained material knowledge and architectural design....

Plasticity of intermediate mechanics students’ coordinate system choice

Directory of Open Access Journals (Sweden)

Eleanor C. Sayre

2008-11-01

Full Text Available We investigate the interplay between mathematics and physics resources in intermediate mechanics students. In the mechanics course, the selection and application of coordinate systems is a consistent thread. At the University of Maine, students often start the course with a strong preference to use Cartesian coordinates, in accordance with their prior physics and mathematics classes. In small-group interviews and in homework help sessions, we ask students to define a coordinate system and set up the equations of motion for a simple pendulum for which polar coordinates are more appropriate. We analyze video data from several encounters using a combination of Process/Object theory and Resource Theory. We find that students sometimes persist in using an inappropriate Cartesian system. Furthermore, students often derive (rather than recall the details of the polar coordinate system, indicating that their knowledge is far from solid. To describe our work more precisely, we define a scale of plasticity and several heuristics for defining resources and their plasticity.

What is the Role of Legal Systems in Financial Intermediation? Theory and Evidence

NARCIS (Netherlands)

Bottazzi, L.; Da Rin, M.; Hellmann, T.

2008-01-01

We develop a theory and empirical test of how the legal system affects the relationship between venture capitalists and entrepreneurs. The theory uses a double moral hazard framework to show how optimal contracts and investor actions depend on the quality of the legal system. The empirical evidence

Internal conversion theory of gamma radiation in unfilled atomic shells

International Nuclear Information System (INIS)

Anderson, Eh.M.; Trusov, V.F.; Ehglajs, M.O.

1980-01-01

The internal conversion theory of gamma radiation in unfilled shells, when the atom is in a state with certain energy and momentum, is considered. A formula for the conversion coefficient between the atom and ion levels is obtained. This coefficient turns to be dependent on genealogic characteristics of the atom. It is discussed when the conversion coefficients are proportional to the numbers of filling subshells in the atom. Exact calculations have been carried out in the multiconfigurational approximation taking into account intermediate coupling for the d-shell of the Fe atom Single-electron radial wave functions have been calculated on the basis of the relativistic method of the Hartree-Fock-Dirak self-consistent field. Conversion coefficients on certain subshells as well as submatrix elements of the production operator are calculated. The electric coefficient of internal conversion (CIC) in the calculation for one electron does not depend on spin orientation. That is why the electric CIC from the level will not depend on filling number distribution by subshells. For magnetic CIC the dependence on the atom state is significant. Using multiconfiguration basis for calculating energy matrix and its succeeding diagonalization means the account of the intermediate coupling type, which takes place for the unfilled shells

Kaon production in intermediate-energy nuclear collisions

International Nuclear Information System (INIS)

Russkikh, V.N.; Ivanov, Yu.B.

1992-01-01

Production of positive kaons in nuclear collisions at intermediate energies (∝ 1-2 GeV/nucleon) is studied within the 3-dimensional fluid dynamics combined with the hadrochemical kinetics for strangeness production. Sensitivity of the kaon probe to a form of the nuclear equation of state is analyzed. The model reproduces total and differential cross sections of Ne+NaF→K + +X and Ne+Pb→K + +X reactions at E lab =2.1 GeV/nucleon, provided a soft equation of state is used. The pion-production data are also well described employing the same equation of state. Predictions are made for the current experiment on kaon production at the SIS accelerator. The obtained results are compared with the predictions of other models. (orig.)

Governance-Default Risk Relationship and the Demand for Intermediated and Non-Intermediated Debt

Directory of Open Access Journals (Sweden)

Husam Aldamen

2012-09-01

Full Text Available This paper explores the impact of corporate governance on the demand for intermediated debt (asset finance, bank debt, non-bank private debt and non-intermediated debt (public debt in the Australian debt market. Relative to other countries the Australian debt market is characterised by higher proportions of intermediated or private debt with a lower inherent level of information asymmetry in that private lenders have greater access to financial information (Gray, Koh & Tong 2009. Our firm level, cross-sectional evidence suggests that higher corporate governance impacts demand for debt via the mitigation of default risk. However, this relationship is not uniform across all debt types. Intermediated debt such as bank and asset finance debt are more responsive to changes in governance-default risk relationship than non-bank and non-intermediated debt. The implication is that a firm’s demand for different debt types will reflect its governance-default risk profile.

Space and Intermediality in Jia Zhang-ke’s Still Life

Directory of Open Access Journals (Sweden)

Cecília Mello

2014-07-01

Full Text Available This article is dedicated to an analysis of Chinese director Jia Zhang-ke’s film Still Life (San Xia Hao Ren 三峡好人, 2006 from the point of view of its intermedial relationship with Chinese landscape painting. As I will suggest, Jia’s discovery of a real landscape and a vanishing cityscape in this film, shot on location in the region of the Three Gorges of the Yangtze River, springs from a realist impulse and from an original aesthetic response to a new historical and social conjuncture. But while it seems firmly located in the landscape of contemporary China, the film also shares aesthetic qualities with the tradition of Chinese landscape painting, mounted on hanging or hand scrolls. A focus on this particular instance of intermediality leads to a reflection on cinema’s spatial organization in light of current revisions in film and audiovisual theory, which suggest that filmic space and its spectatorial experience should be considered above all from the point of view of touch and movement. It also allows for a broader understanding of the political implications of intermediality in Jia Zhang-ke’s oeuvre, fruit of an organic link between form and content that brings a historical resonance to a contemporary perspective.

Theoretical Study of the Charge-Transfer State Separation within Marcus Theory

DEFF Research Database (Denmark)

Volpi, Riccardo; Nassau, Racine; Nørby, Morten Steen

2016-01-01

We study, within Marcus theory, the possibility of the charge-transfer (CT) state splitting at organic interfaces and a subsequent transport of the free charge carriers to the electrodes. As a case study we analyze model anthracene-C60 interfaces. Kinetic Monte Carlo (KMC) simulations on the cold...... CT state were performed at a range of applied electric fields, and with the fields applied at a range of angles to the interface to simulate the action of the electric field in a bulk heterojunction (BHJ) interface. The results show that the inclusion of polarization in our model increases CT state...... dissociation and charge collection. The effect of the electric field on CT state splitting and free charge carrier conduction is analyzed in detail with and without polarization. Also, depending on the relative orientation of the anthracene and C60 molecules at the interface, CT state splitting shows different...

Triplet state photochemistry and the three-state crossing of acetophenone within time-dependent density-functional theory

Energy Technology Data Exchange (ETDEWEB)

Huix-Rotllant, Miquel, E-mail: miquel.huix@gmail.com; Ferré, Nicolas, E-mail: nicolas.ferre@univ-amu.fr [Institut de Chimie Radicalaire (UMR-7273), Aix-Marseille Université, CNRS, 13397 Marseille Cedex 20 (France)

2014-04-07

Even though time-dependent density-functional theory (TDDFT) works generally well for describing excited states energies and properties in the Franck-Condon region, it can dramatically fail in predicting photochemistry, notably when electronic state crossings occur. Here, we assess the ability of TDDFT to describe the photochemistry of an important class of triplet sensitizers, namely, aromatic ketones. We take acetophenone as a test molecule, for which accurate ab initio results exist in the literature. Triplet acetophenone is generated thanks to an exotic three-state crossing involving one singlet and two triplets states (i.e., a simultaneous intersystem crossing and triplet conical intersection), thus being a stringent test for approximate TDDFT. We show that most exchange-correlation functionals can only give a semi-qualitative picture of the overall photochemistry, in which the three-state crossing is rather represented as a triplet conical intersection separated from the intersystem crossing. The best result overall is given by the double hybrid functional mPW2PLYP, which is even able to reproduce quantitatively the three-state crossing region. We rationalize this results by noting that double hybrid functionals include a larger portion of double excitation character to the excited states.

Decision theory applied to radioactive repository construction

International Nuclear Information System (INIS)

Heilbron Filho, Paulo Fernando Lavalle; Pontedeiro, Elizabeth May

2001-01-01

The objective of this article is to present, through the presentation of an example, the applicability of the decision theory on the selection and construction of a repository for low and intermediate radioactive waste. (author)

Novel semiconductor solar cell structures: The quantum dot intermediate band solar cell

International Nuclear Information System (INIS)

Marti, A.; Lopez, N.; Antolin, E.; Canovas, E.; Stanley, C.; Farmer, C.; Cuadra, L.; Luque, A.

2006-01-01

The Quantum Dot Intermediate Band Solar Cell (QD-IBSC) has been proposed for studying experimentally the operating principles of a generic class of photovoltaic devices, the intermediate band solar cells (IBSC). The performance of an IBSC is based on the properties of a semiconductor-like material which is characterised by the existence of an intermediate band (IB) located within what would otherwise be its conventional bandgap. The improvement in efficiency of the cell arises from its potential (i) to absorb below bandgap energy photons and thus produce additional photocurrent, and (ii) to inject this enhanced photocurrent without degrading its output photo-voltage. The implementation of the IBSC using quantum dots (QDs) takes advantage of the discrete nature of the carrier density of states in a 0-dimensional nano-structure, an essential property for realising the IB concept. In the QD-IBSC, the IB arises from the confined electron states in an array of quantum dots. This paper reviews the operation of the first prototype QD-IBSCs and discusses some of the lessons learnt from their characterisation

Novel semiconductor solar cell structures: The quantum dot intermediate band solar cell

Energy Technology Data Exchange (ETDEWEB)

Marti, A. [Instituto de Energia Solar-UPM, ETSIT de Madrid, Ciudad Universitaria sn, 28040 Madrid (Spain)]. E-mail: amarti@etsit.upm.es; Lopez, N. [Instituto de Energia Solar-UPM, ETSIT de Madrid, Ciudad Universitaria sn, 28040 Madrid (Spain); Antolin, E. [Instituto de Energia Solar-UPM, ETSIT de Madrid, Ciudad Universitaria sn, 28040 Madrid (Spain); Canovas, E. [Instituto de Energia Solar-UPM, ETSIT de Madrid, Ciudad Universitaria sn, 28040 Madrid (Spain); Stanley, C. [Department of Electronics and Electrical Engineering, University of Glasgow, Glasgow G12 8QQ (United Kingdom); Farmer, C. [Department of Electronics and Electrical Engineering, University of Glasgow, Glasgow G12 8QQ (United Kingdom); Cuadra, L. [Departamento de Teoria de la Senal y Comunicaciones- Escuela Politecnica Superior, Universidad de Alcala, Ctra. Madrid-Barcelona, km. 33600, 28805-Alcala de Henares (Madrid) (Spain); Luque, A. [Instituto de Energia Solar-UPM, ETSIT de Madrid, Ciudad Universitaria sn, 28040 Madrid (Spain)

2006-07-26

The Quantum Dot Intermediate Band Solar Cell (QD-IBSC) has been proposed for studying experimentally the operating principles of a generic class of photovoltaic devices, the intermediate band solar cells (IBSC). The performance of an IBSC is based on the properties of a semiconductor-like material which is characterised by the existence of an intermediate band (IB) located within what would otherwise be its conventional bandgap. The improvement in efficiency of the cell arises from its potential (i) to absorb below bandgap energy photons and thus produce additional photocurrent, and (ii) to inject this enhanced photocurrent without degrading its output photo-voltage. The implementation of the IBSC using quantum dots (QDs) takes advantage of the discrete nature of the carrier density of states in a 0-dimensional nano-structure, an essential property for realising the IB concept. In the QD-IBSC, the IB arises from the confined electron states in an array of quantum dots. This paper reviews the operation of the first prototype QD-IBSCs and discusses some of the lessons learnt from their characterisation.

On the vacuum states for non-commutative gauge theory TH1"-->

Science.gov (United States)

de Goursac, A.; Wallet, J.-C.; Wulkenhaar, R.

2008-07-01

Candidates for renormalizable gauge theory models on Moyal spaces constructed recently have non-trivial vacua. We show that these models support vacuum states that are invariant under both global rotations and symplectic isomorphisms which form a global symmetry group for the action. We compute the explicit expression in position space for these vacuum configurations in two and four dimensions.

Asymptotic states and infrared divergences in gauge theories

International Nuclear Information System (INIS)

Butler, D.R.

1981-01-01

The gauge theories, Gravity and QCD are shown to be infrared finite to a non-trival order by a generalization of the coherent state approach. The asymptotic Hamiltonian operator is used, along with a mathematical theorem by Magnus, to specify a S-operator and to show cancellation of infrared divergences at the amplitude level. This procedure is exemplified in Gravity to third order and applied to QCD for leading order divergences to fifth order in the coupling constant. Dimensional regularization is used to isolate the infrared singularities in QCD. The sections on Gravity include a derivation of the infrared structure of the propagators for a massive particle and the graviton

Transition-state theory predicts clogging at the microscale

Science.gov (United States)

Laar, T. Van De; Klooster, S. Ten; Schroën, K.; Sprakel, J.

2016-06-01

Clogging is one of the main failure mechanisms encountered in industrial processes such as membrane filtration. Our understanding of the factors that govern the build-up of fouling layers and the emergence of clogs is largely incomplete, so that prevention of clogging remains an immense and costly challenge. In this paper we use a microfluidic model combined with quantitative real-time imaging to explore the influence of pore geometry and particle interactions on suspension clogging in constrictions, two crucial factors which remain relatively unexplored. We find a distinct dependence of the clogging rate on the entrance angle to a membrane pore which we explain quantitatively by deriving a model, based on transition-state theory, which describes the effect of viscous forces on the rate with which particles accumulate at the channel walls. With the same model we can also predict the effect of the particle interaction potential on the clogging rate. In both cases we find excellent agreement between our experimental data and theory. A better understanding of these clogging mechanisms and the influence of design parameters could form a stepping stone to delay or prevent clogging by rational membrane design.

Anyonic states in Chern-Simons theory

International Nuclear Information System (INIS)

Haller, K.; Lim-Lombridas, E.

1994-01-01

We discuss the canonical quantization of Chern-Simons theory in 2+1 dimensions, minimally coupled to a Dirac spinor field, first in the temporal gauge and then in the Coulomb gauge. In our temporal gauge formulation, Gauss's law and the gauge condition A 0 =0 are implemented by embedding the formulation in an appropriate physical subspace. We construct a Fock space of charged particle states that satisfy Gauss's law, and show that they obey fermion, not fractional statistics. The gauge-invariant spinor field that creates these charged states from the vacuum obeys the anticommutation rules that generally apply to spinor fields. The Hamiltonian, when described in the representation in which the charged fermions are the propagating particle excitations that obey Gauss's law, contains an interaction between charge and transverse current densities. We observe that the implementation of Gauss's law and the gauge condition does not require us to use fields with graded commutator algebras or particle excitations with fractional statistics. In our Coulomb gauge formulation, we implement Gauss's law and the gauge condition ∂ l A l =0 by the Dirac-Bergmann procedure. In this formulation, the constrained gauge fields become functionals of the spinor fields, and are not independent degrees of freedom. The formulation in the Coulomb gauge confirms the results we obtained in the temporal gauge: The ''Dirac-Bergmann'' anticommutation rule for the charged spinor fiels ψ and ψ degree that have both been constrained to obey Gauss's law is precisely identical to the canonical spinor anticommutation rule that generates standard fermion statistics. And we also show that the Hamiltonians for charged particle states in our temporal and Coulomb gauge formulations are identical, once Gauss's law has been implemented in both cases

Predicting behavioural responses to novel organisms: state-dependent detection theory.

Science.gov (United States)

Trimmer, Pete C; Ehlman, Sean M; Sih, Andrew

2017-01-25

Human activity alters natural habitats for many species. Understanding variation in animals' behavioural responses to these changing environments is critical. We show how signal detection theory can be used within a wider framework of state-dependent modelling to predict behavioural responses to a major environmental change: novel, exotic species. We allow thresholds for action to be a function of reserves, and demonstrate how optimal thresholds can be calculated. We term this framework 'state-dependent detection theory' (SDDT). We focus on behavioural and fitness outcomes when animals continue to use formerly adaptive thresholds following environmental change. In a simple example, we show that exposure to novel animals which appear dangerous-but are actually safe-(e.g. ecotourists) can have catastrophic consequences for 'prey' (organisms that respond as if the new organisms are predators), significantly increasing mortality even when the novel species is not predatory. SDDT also reveals that the effect on reproduction can be greater than the effect on lifespan. We investigate factors that influence the effect of novel organisms, and address the potential for behavioural adjustments (via evolution or learning) to recover otherwise reduced fitness. Although effects of environmental change are often difficult to predict, we suggest that SDDT provides a useful route ahead. © 2017 The Author(s).

Abnormal cerebral functional connectivity in esophageal cancer patients with theory of mind deficits in resting state.

Science.gov (United States)

Cao, Yin; Xiang, JianBo; Qian, Nong; Sun, SuPing; Hu, LiJun; Yuan, YongGui

2015-01-01

To explore the function of the default mode network (DMN) in the psychopathological mechanisms of theory of mind deficits in patients with an esophageal cancer concomitant with depression in resting the state. Twenty-five cases of esophageal cancer with theory of mind deficits (test group) that meet the diagnostic criteria of esophageal cancer and neuropsychological tests, including Beck depression inventory, reading the mind in the eyes, and Faux pas, were included, Another 25 cases of esophageal cancer patients but without theory of mind deficits (control group) were enrolled. Each patient completed a resting-state functional magnetic resonance imaging. The functional connectivity intensities within the cerebral regions in the DMN of all the enrolled patients were analyzed. The results of each group were compared. The functional connectivity of the bilateral prefrontal central region with the precuneus, bilateral posterior cingulate gyrus and bilateral ventral anterior cingulate gyrus in the patients of the test group were all reduced significantly (P theory of mind deficits. The theory of mind deficits might have an important function in the pathogenesis of esophageal cancer.

Nuclear theory group progress report and renewal proposal. December 1, 1978--November 30, 1979

International Nuclear Information System (INIS)

Brown, G.E.; Jackson, A.D.; Kuo, T.T.S.

1979-01-01

The proposed work covers a broad range of topics in theoretical nuclear and intermediate-energy physics and in nuclear astrophysics. With free nucleon--nucleon interactions as a basis, effective forces in nuclei are constructed through a chain of field-theoretic, dispersions and many-body techniques. Dynamical theories of nuclear excitations are constructed. Infinite nuclear systems at a variety of densities are studied in order to determine reliable equations of state for nuclear and neutron matter. These equations of state are applied in astrophysical problems, such as the gravitational collapse of stars, as well as in standard nuclear contexts. Brief summaries of individual projects completed and planned are given. Completed research is reported in the appropriate places

Thermal stability of intermediate band behavior in Ti implanted Si

Energy Technology Data Exchange (ETDEWEB)

Olea, J.; Pastor, D.; Martil, I.; Gonzalez-Diaz, G. [Dpto. De Fisica Aplicada III (Electricidad y Electronica), Facultad de Ciencias Fisicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain)

2010-11-15

Ti implantation in Si with very high doses has been performed. Subsequent Pulsed Laser Melting (PLM) annealing produces good crystalline lattice with electrical transport properties that are well explained by the Intermediate Band (IB) theory. Thermal stability of this new material is analyzed by means of isochronal annealing in thermodynamic equilibrium conditions at increasing temperature. A progressive deactivation of the IB behavior is shown during thermal annealing, and structural and electrical measurements are reported in order to find out the origin of this result. (author)

Agarose gel electrophoresis reveals structural fluidity of a phage T3 DNA packaging intermediate.

Science.gov (United States)

Serwer, Philip; Wright, Elena T

2012-01-01

We find a new aspect of DNA packaging-associated structural fluidity for phage T3 capsids. The procedure is (i) glutaraldehyde cross-linking of in vivo DNA packaging intermediates for the stabilization of structure and then (ii) determining effective radius by two-dimensional agarose gel electrophoresis (2D-AGE). The intermediates are capsids with incompletely packaged DNA (ipDNA) and without an external DNA segment; these intermediates are called ipDNA-capsids. We initially increase the production of ipDNA-capsids by raising NaCl concentration during in vivo DNA packaging. By 2D-AGE, we find a new state of contracted shell for some particles of one previously identified ipDNA-capsid. The contracted shell-state is found when the ipDNA length/mature DNA length (F) is above 0.17, but not at lower F. Some contracted-shell ipDNA-capsids have the phage tail; others do not. The contracted-shell ipDNA-capsids are explained by premature DNA maturation cleavage that makes accessible a contracted-shell intermediate of a cycle of the T3 DNA packaging motor. The analysis of ipDNA-capsids, rather than intermediates with uncleaved DNA, provides a simplifying strategy for a complete biochemical analysis of in vivo DNA packaging. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Neutrino mass as the probe of intermediate mass scales

International Nuclear Information System (INIS)

Senjanovic, G.

1980-01-01

A discussion of the calculability of neutrino mass is presented. The possibility of neutrinos being either Dirac or Majorana particles is analyzed in detail. Arguments are offered in favor of the Majorana case: the smallness of neutrino mass is linked to the maximality of parity violation in weak interactions. It is shown how the measured value of neutrino mass would probe the existence of an intermediate mass scale, presumably in the TeV region, at which parity is supposed to become a good symmetry. Experimental consequences of the proposed scheme are discussed, in particular the neutrino-less double β decay, where observation would provide a crucial test of the model, and rare muon decays such as μ → eγ and μ → ee anti e. Finally, the embedding of this model in an O(10) grand unified theory is analyzed, with the emphasis on the implications for intermediate mass scales that it offers. It is concluded that the proposed scheme provides a distinct and testable alternative for understanding the smallness of neutrino mass. 4 figures

Neutrino mass as the probe of intermediate mass scales

Energy Technology Data Exchange (ETDEWEB)

Senjanovic, G.

1980-01-01

A discussion of the calculability of neutrino mass is presented. The possibility of neutrinos being either Dirac or Majorana particles is analyzed in detail. Arguments are offered in favor of the Majorana case: the smallness of neutrino mass is linked to the maximality of parity violation in weak interactions. It is shown how the measured value of neutrino mass would probe the existence of an intermediate mass scale, presumably in the TeV region, at which parity is supposed to become a good symmetry. Experimental consequences of the proposed scheme are discussed, in particular the neutrino-less double ..beta.. decay, where observation would provide a crucial test of the model, and rare muon decays such as ..mu.. ..-->.. e..gamma.. and ..mu.. ..-->.. ee anti e. Finally, the embedding of this model in an O(10) grand unified theory is analyzed, with the emphasis on the implications for intermediate mass scales that it offers. It is concluded that the proposed scheme provides a distinct and testable alternative for understanding the smallness of neutrino mass. 4 figures.

The radial shapes of intermediate energy microscopic optical potentials

International Nuclear Information System (INIS)

Shen Qingbiao; Wang Chang; Tian Ye; Zhuo Yizhong

1984-01-01

The radial shapes of intermediate energy proton microscopic optical potentials of 40 Ca are calculated with nuclear matter approach by Skyrme interactions. The calculated results show that the real central potential in central region of nucleus changes from attractive to repulsive when the energy of incident nucleon is above 150 MeV and appears apparently a 'wine-bottle-bottom' shape in the transition energy region (from 150 MeV to 300 MeV). This tendency is consistent with empirical optical potential obtained through fitting experiments and microscopic optical potential calculated with relativistic mean field theory as well as with the BHF theory. The calculated imaginary part of the microscopic optical potential changes from the dominant surface absorption into the volume absorption and its absolute value become larger as energy increases. The effects of Skyrme force parameters to the radial shape of the calculated microscopic optical potential are analysed in detail

Post-crisis financial intermediation

Directory of Open Access Journals (Sweden)

Ilie MIHAI

2015-09-01

Full Text Available The recent financial crisis that begun in 2007 in the US, which then swept around the world, has left deep scars on the already wrinkled face of the global economy. Some national and regional economies, which had money for expensive makeup, or created money[1], managed to blur or hide the scars left by the crisis, others are still facing difficulties in overcoming the effects of this. The rapacity of banks, their greed and risk ignorance, were the origin of the outbreak of the last major economic and financial crisis but unfortunately those who were responsible or, rather, irresponsible, paid little or nothing at all for the burden of their bad loan portfolio. This cost has been supported by the population, either directly by paying high interest and fees [Mihai I., 2007], or indirectly, through the use of public budgets to cover the losses of banks, most of which had private capital. In this context, we intend to examine the state of financial intermediation in Romania in the post-crisis period, and to primarily follow: (i The structure and evolution of the banking system; (ii Non-government credit situation; (iii The level of savings; (iiii Loan-deposit ratio; (v The degree of financial intermediation and disintegration phenomenon etc., and to articulate some conclusions and suggestions on the matters that have been explored.

Field theory of anyons and the fractional quantum Hall effect

International Nuclear Information System (INIS)

Viefers, S.F.

1997-11-01

The thesis is devoted to a theoretical study of anyons, i.e. particles with fractional statistics moving in two space dimensions, and the quantum Hall effect. The latter constitutes the only known experimental realization of anyons in that the quasiparticle excitations in the fractional quantum Hall system are believed to obey fractional statistics. First, the properties of ideal quantum gases in two dimensions and in particular the equation of state of the free anyons gas are discussed. Then, a field theory formulation of anyons in a strong magnetic field is presented and later extended to a system with several species of anyons. The relation of this model to fractional exclusion statistics, i.e. intermediate statistics introduced by a generalization of the Pauli principle, and to the low-energy excitations at the edge of the quantum Hall system is discussed. Finally, the Chern-Simons-Landau-Ginzburg theory of the fractional quantum Hall effect is studied, mainly focusing on edge effects; both the ground state and the low-energy edge excitations are examined in the simple one-component model and in an extended model which includes spin effects

MHD intermediate shock discontinuities: Pt. 1

International Nuclear Information System (INIS)

Kennel, C.F.; Blandford, R.D.; Coppi, P.

1989-01-01

Recent numerical investigations have focused attention once more on the role of intermediate shocks in MHD. Four types of intermediate shock are identified using a graphical representation of the MHD Rankine-Hugoniot conditions. This same representation can be used to exhibit the close relationship of intermediate shocks to switch-on shocks and rotational discontinuities. The conditions under which intermediate discontinuities can be found are elucidated. The variations in velocity, pressure, entropy and magnetic-field jumps with upstream parameters in intermediate shocks are exhibited graphically. The evolutionary arguments traditionally advanced against intermediate shocks may fail because the equations of classical MHD are not strictly hyperbolic. (author)

Evidence for close side-chain packing in an early protein folding intermediate previously assumed to be a molten globule.

Science.gov (United States)

Rosen, Laura E; Connell, Katelyn B; Marqusee, Susan

2014-10-14

The molten globule, a conformational ensemble with significant secondary structure but only loosely packed tertiary structure, has been suggested to be a ubiquitous intermediate in protein folding. However, it is difficult to assess the tertiary packing of transiently populated species to evaluate this hypothesis. Escherichia coli RNase H is known to populate an intermediate before the rate-limiting barrier to folding that has long been thought to be a molten globule. We investigated this hypothesis by making mimics of the intermediate that are the ground-state conformation at equilibrium, using two approaches: a truncation to generate a fragment mimic of the intermediate, and selective destabilization of the native state using point mutations. Spectroscopic characterization and the response of the mimics to further mutation are consistent with studies on the transient kinetic intermediate, indicating that they model the early intermediate. Both mimics fold cooperatively and exhibit NMR spectra indicative of a closely packed conformation, in contrast to the hypothesis of molten tertiary packing. This result is important for understanding the nature of the subsequent rate-limiting barrier to folding and has implications for the assumption that many other proteins populate molten globule folding intermediates.

Effective theories with broken flavour symmetry

International Nuclear Information System (INIS)

Miller, R.D.C.; McKellar, B.H.J.

1981-07-01

The work of Ovrut and Schnitzer on effective theories derived from a non Abelian Gauge Theory is generalised to include the physically interesting case of broken flavour symmetry. The calculations are performed at the 1-loop level. It is shown that at an intermediate stage in the calculations two distinct renormalised gauge coupling constants appear, one describing gauge field coupling to heavy particles and the other describing coupling to light particles. Appropriately modified Slavnov-Taylor identities are shown to hold. A simple alternative to the Ovrut-Schnitzer rules for calculating with effective theories is also considered

Priors on the effective dark energy equation of state in scalar-tensor theories

Science.gov (United States)

Raveri, Marco; Bull, Philip; Silvestri, Alessandra; Pogosian, Levon

2017-10-01

Constraining the dark energy (DE) equation of state, wDE, is one of the primary science goals of ongoing and future cosmological surveys. In practice, with imperfect data and incomplete redshift coverage, this requires making assumptions about the evolution of wDE with redshift z . These assumptions can be manifested in a choice of a specific parametric form, which can potentially bias the outcome, or else one can reconstruct wDE(z ) nonparametrically, by specifying a prior covariance matrix that correlates values of wDE at different redshifts. In this work, we derive the theoretical prior covariance for the effective DE equation of state predicted by general scalar-tensor theories with second order equations of motion (Horndeski theories). This is achieved by generating a large ensemble of possible scalar-tensor theories using a Monte Carlo methodology, including the application of physical viability conditions. We also separately consider the special subcase of the minimally coupled scalar field, or quintessence. The prior shows a preference for tracking behaviors in the most general case. Given the covariance matrix, theoretical priors on parameters of any specific parametrization of wDE(z ) can also be readily derived by projection.

Prediction of the state diagram of starch water mixtures using the Flory--Huggins free volume theory

NARCIS (Netherlands)

Sman, van der R.G.M.; Meinders, M.B.J.

2011-01-01

In this paper we analyse the phase and state transitions of starch and other glucose homopolymers and oligomers using the free volume extension of the Flory–Huggins theory by Vrentas and Vrentas, combined with the Couchman–Karasz theory for the glass transition. Using scaling relations of model

Theoretical progress at CNDC theory group

International Nuclear Information System (INIS)

Lu Zhongdao

1993-01-01

In 1992, CNDC (Chinese Nuclear Data Center) theory group has made progress in model study, code making and data calculations for low energy nuclear reaction, intermediate and high energy nuclear reaction. It has also made progress in parameter library establishment. The brief explanations are presented

Sum rules and spectral density flow in QCD and in superconformal theories

Directory of Open Access Journals (Sweden)

Costantini Antonio

2014-01-01

Full Text Available We discuss the signature of the anomalous breaking of the superconformal symmetry in N${\\cal N}$ = 1 super Yang Mills theory and its manifestation in the form of anomaly poles. Moreover, we describe the massive deformations of the N${\\cal N}$ = 1 theory and the spectral densities of the corresponding anomaly form factors. These are characterized by spectral densities which flow with the mass deformation and turn the continuum contributions from the two-particle cuts of the intermediate states into poles, with a single sum rule satisfied by each component. The poles can be interpreted as signaling the exchange of a composite axion/dilaton/dilatino (ADD multiplet in the effective Lagrangian. We conclude that global anomalous currents characterized by a single flow in the perturbative picture always predict the existence of composite interpolating fields.

Einstein's steady-state theory: an abandoned model of the cosmos

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O'Raifeartaigh, Cormac; McCann, Brendan; Nahm, Werner; Mitton, Simon

2014-09-01

We present a translation and analysis of an unpublished manuscript by Albert Einstein in which he attempted to construct a `steady-state' model of the universe. The manuscript, which appears to have been written in early 1931, demonstrates that Einstein once explored a cosmic model in which the mean density of matter in an expanding universe is maintained constant by the continuous formation of matter from empty space. This model is very different to previously known Einsteinian models of the cosmos (both static and dynamic) but anticipates the later steady-state cosmology of Hoyle, Bondi and Gold in some ways. We find that Einstein's steady-state model contains a fundamental flaw and suggest that it was abandoned for this reason. We also suggest that he declined to explore a more sophisticated version because he found such theories rather contrived. The manuscript is of historical interest because it reveals that Einstein debated between steady-state and evolving models of the cosmos decades before a similar debate took place in the cosmological community.

Energy Minimization of Discrete Protein Titration State Models Using Graph Theory

Science.gov (United States)

Purvine, Emilie; Monson, Kyle; Jurrus, Elizabeth; Star, Keith; Baker, Nathan A.

2016-01-01

There are several applications in computational biophysics which require the optimization of discrete interacting states; e.g., amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can be very time-consuming as it scales exponentially in the number of sites to be optimized. In this paper, we describe a new polynomial-time algorithm for optimization of discrete states in macromolecular systems. This algorithm was adapted from image processing and uses techniques from discrete mathematics and graph theory to restate the optimization problem in terms of “maximum flow-minimum cut” graph analysis. The interaction energy graph, a graph in which vertices (amino acids) and edges (interactions) are weighted with their respective energies, is transformed into a flow network in which the value of the minimum cut in the network equals the minimum free energy of the protein, and the cut itself encodes the state that achieves the minimum free energy. Because of its deterministic nature and polynomial-time performance, this algorithm has the potential to allow for the ionization state of larger proteins to be discovered. PMID:27089174

Energy Minimization of Discrete Protein Titration State Models Using Graph Theory.

Science.gov (United States)

Purvine, Emilie; Monson, Kyle; Jurrus, Elizabeth; Star, Keith; Baker, Nathan A

2016-08-25

There are several applications in computational biophysics that require the optimization of discrete interacting states, for example, amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can be very time-consuming as it scales exponentially in the number of sites to be optimized. In this paper, we describe a new polynomial time algorithm for optimization of discrete states in macromolecular systems. This algorithm was adapted from image processing and uses techniques from discrete mathematics and graph theory to restate the optimization problem in terms of "maximum flow-minimum cut" graph analysis. The interaction energy graph, a graph in which vertices (amino acids) and edges (interactions) are weighted with their respective energies, is transformed into a flow network in which the value of the minimum cut in the network equals the minimum free energy of the protein and the cut itself encodes the state that achieves the minimum free energy. Because of its deterministic nature and polynomial time performance, this algorithm has the potential to allow for the ionization state of larger proteins to be discovered.

[Intermediate/high energy nuclear physics

International Nuclear Information System (INIS)

1989-01-01

We have continued to develop a theoretical framework for the quark and gluon structure of nuclei. Our approach features a successful phenomenological model, the quark cluster model (QCM), and an ambitious program in the non-perturbative solution of quantum field theories. The effort in quantum field theory provides theoretical results to test or replace assumed ingredients of the QCM. By the explicit example of a scalar field theory in 2D we have solved the long-standing problem of how to treat the dynamics of the vacuum in light-front quantization. We now propose to solve the same problem for simple Fermion field theories in 2D such as the Gross-Neveu model. We propose in subsequent years to address QCD in low dimensionality with the purpose of extracting non-perturbative predictions for quark and gluon amplitudes in few baryon systems. Simultaneously with this new effort we will continue to develop extensions and applications of the QCM. We propose to continue predicting phenomena to be observed in high energy particle-nucleus collisions that reflect the rearrangement of quarks and gluons in nuclei. We have completed our analysis of the SLAC E101 and E133 experiments on Deuterium to elucidate the degree to which a six-quark cluster contribution is admissable in the Bjorken x > 1 data. We have completed our development of a parameterized thermal liquid drop model for light nuclei. In addition we have completed a set of predictions for the formation of a ''nuclear stratosphere'' in nuclei created by intermediate energy heavy ion interactions. These results motivate a new investigation of the temperature dependence of the ion-ion potential with particular emphasis on the thermal dependence of the barrier height and radius. We have also shown that a consistent treatment of relativistic effects is important for a theoretical description of the elastic magnetic form factor of 17 O. 85 refs

Use of digital control theory state space formalism for feedback at SLC

International Nuclear Information System (INIS)

Himel, T.; Hendrickson, L.; Rouse, F.; Shoaee, H.

1991-05-01

The algorithms used in the database-driven SLC fast-feedback system are based on the state space formalism of digital control theory. These are implemented as a set of matrix equations which use a Kalman filter to estimate a vector of states from a vector of measurements, and then apply a gain matrix to determine the actuator settings from the state vector. The matrices used in the calculation are derived offline using Linear Quadratic Gaussian minimization. For a given noise spectrum, this procedure minimizes the rms of the states (e.g., the position or energy of the beam). The offline program also allows simulation of the loop's response to arbitrary inputs, and calculates its frequency response. 3 refs., 3 figs

Intermediate energy semileptonic probes of the hadronic neutral current

International Nuclear Information System (INIS)

Musolf, M.J.; Donnelly, T.W.; Dubach, J.; Beise, E.J.; Maryland Univ., College Park, MD

1993-06-01

The present status and future prospects of intermediate-energy semileptonic neutral current studies are reviewed. Possibilities for using parity-violating electron scattering from nucleons and nuclei to study hadron structure and nuclear dynamics are emphasized, with particular attention paid to probes of strangeness content in the nucleon. Connections are drawn between such studies and tests of the electroweak gauge theory using electron or neutrino scattering. Outstanding theoretical issues in the interpretation of semileptonic neutral current measurements are highlighted and the prospects for undertaking parity-violating electron or neutrino scattering experiments in the near future are surveyed

Effect of Intermediate Annealing on Microstructure and Property of 5182 Aluminum Alloy Sheet for Automobile

Directory of Open Access Journals (Sweden)

WANG Yu

2016-09-01

Full Text Available Effect of intermediate annealing on the microstructure and properties of 5182 aluminum alloy sheet with full annealed state (5182-O was investigated by means of optical microscope, scanning electron microscope and universal testing machine. The results indicate that compared with 5182-O sheet without intermediate annealing, 5182-O sheet with intermediate annealing possesses too fine grain size, intermetallic compounds not broken enough, larger size intermetallic particles, less dispersed phase. Yield strength and ultimate tensile strength, work hardening exponent and normal anisotropy of plastic strain ratio decrease but planner anisotropy of plastic strain ratio increases. The mechanical properties and forming ability of 5182-O aluminum alloy sheet and its microstructure are not improved significantly after intermediate annealing.

Intermediates and the folding of proteins L and G

Energy Technology Data Exchange (ETDEWEB)

Brown, Scott; Head-Gordon, Teresa

2003-07-01

We use a minimalist protein model, in combination with a sequence design strategy, to determine differences in primary structure for proteins L and G that are responsible for the two proteins folding through distinctly different folding mechanisms. We find that the folding of proteins L and G are consistent with a nucleation-condensation mechanism, each of which is described as helix-assisted {beta}-1 and {beta}-2 hairpin formation, respectively. We determine that the model for protein G exhibits an early intermediate that precedes the rate-limiting barrier of folding and which draws together misaligned secondary structure elements that are stabilized by hydrophobic core contacts involving the third {beta}-strand, and presages the later transition state in which the correct strand alignment of these same secondary structure elements is restored. Finally the validity of the targeted intermediate ensemble for protein G was analyzed by fitting the kinetic data to a two-step first order reversible reaction, proving that protein G folding involves an on-pathway early intermediate, and should be populated and therefore observable by experiment.

Spectro-Timing Study of GX 339-4 in a Hard Intermediate State

Science.gov (United States)

Furst, F.; Grinberg, V.; Tomsick, J. A.; Bachetti, M.; Boggs, S. E.; Brightman, M.; Christensen, F. E.; Craig, W. W.; Ghandi, P.; Zhang, William W.

2016-01-01

We present an analysis of Nuclear Spectroscopic Telescope Array observations of a hard intermediate state of the transient black hole GX 339-4 taken in 2015 January. With the source softening significantly over the course of the 1.3 day long observation we split the data into 21 sub-sets and find that the spectrum of all of them can be well described by a power-law continuum with an additional relativistically blurred reflection component. The photon index increases from approx. 1.69 to approx. 1.77 over the course of the observation. The accretion disk is truncated at around nine gravitational radii in all spectra. We also perform timing analysis on the same 21 individual data sets, and find a strong type-C quasi-periodic oscillation (QPO), which increases in frequency from approx. 0.68 to approx. 1.05 Hz with time. The frequency change is well correlated with the softening of the spectrum. We discuss possible scenarios for the production of the QPO and calculate predicted inner radii in the relativistic precession model as well as the global disk mode oscillations model. We find discrepancies with respect to the observed values in both models unless we allow for a black hole mass of approx. 100 Mass compared to the Sun, which is highly unlikely. We discuss possible systematic uncertainties, in particular with the measurement of the inner accretion disk radius in the relativistic reflection model. We conclude that the combination of observed QPO frequencies and inner accretion disk radii, as obtained from spectral fitting, is difficult to reconcile with current models.

Computer simulation and high level virial theory of Saturn-ring or UFO colloids

Science.gov (United States)

Bates, Martin A.; Dennison, Matthew; Masters, Andrew

2008-08-01

Monte Carlo simulations are used to map out the complete phase diagram of hard body UFO systems, in which the particles are composed of a concentric sphere and thin disk. The equation of state and phase behavior are determined for a range of relative sizes of the sphere and disk. We show that for relatively large disks, nematic and solid phases are observed in addition to the isotropic fluid. For small disks, two different solid phases exist. For intermediate sizes, only a disordered fluid phase is observed. The positional and orientational structure of the various phases are examined. We also compare the equations of state and the nematic-isotropic coexistence densities with those predicted by an extended Onsager theory using virial coefficients up to B8.

Representation of coherent states in many-boson theory

International Nuclear Information System (INIS)

Vakarchuk, I.A.

1978-01-01

Solution of the Bloch equation for the density matrix of the system of interacting Bose particles in the coherent states representation is obtained. The matrix of the thermodynamical potential functional is represented in the form of the functional series over the eigen-values of the annihilation operator and the coefficient functions are the matrix elements of cluster operators. A simple functional integration in the partition sum leads to the well-known quantum virial expansions and the standard perturbation theory series. Possibilities of application of the expressions obtained to the investigation of the lambda-transition in the liquid He 4 and the generalization to the case of the many-fermion system is discussed

Generalized global symmetries in states with dynamical defects: The case of the transverse sound in field theory and holography

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Grozdanov, Sašo; Poovuttikul, Napat

2018-05-01

In this work, we show how states with conserved numbers of dynamical defects (strings, domain walls, etc.) can be understood as possessing generalized global symmetries even when the microscopic origins of these symmetries are unknown. Using this philosophy, we build an effective theory of a 2 +1 -dimensional fluid state with two perpendicular sets of immersed elastic line defects. When the number of defects is independently conserved in each set, then the state possesses two one-form symmetries. Normally, such viscoelastic states are described as fluids coupled to Goldstone bosons associated with spontaneous breaking of translational symmetry caused by the underlying microscopic structure—the principle feature of which is a transverse sound mode. At the linear, nondissipative level, we verify that our theory, based entirely on symmetry principles, is equivalent to a viscoelastic theory. We then build a simple holographic dual of such a state containing dynamical gravity and two two-form gauge fields, and use it to study its hydrodynamic and higher-energy spectral properties characterized by nonhydrodynamic, gapped modes. Based on the holographic analysis of transverse two-point functions, we study consistency between low-energy predictions of the bulk theory and the effective boundary theory. Various new features of the holographic dictionary are explained in theories with higher-form symmetries, such as the mixed-boundary-condition modification of the quasinormal mode prescription that depends on the running coupling of the boundary double-trace deformations. Furthermore, we examine details of low- and high-energy parts of the spectrum that depend on temperature, line defect densities and the renormalization group scale.

Parent-child picture-book reading, mothers' mental state language and children's theory of mind.

Science.gov (United States)

Adrian, Juan E; Clemente, Rosa A; Villanueva, Lidon; Rieffe, Carolien

2005-08-01

This study focuses on parent-child book reading and its connection to the development of a theory of mind. First, parents were asked to report about frequency of parent-child storybook reading at home. Second, mothers were asked to read four picture-books to thirty-four children between 4;0 and 5;0. Both frequency of parent-child storybook reading at home, and mother's use of mental state terms in picture-books reading tasks were significantly associated with success on false belief tasks, after partialling out a number of potential mediators such as age of children, verbal IQ, paternal education, and words used by mothers in joint picture-book reading. Among the different mental state references (cognitive terms, desires, emotions and perceptions), it was found that the frequency and variety of cognitive terms, but also the frequency of emotional terms correlated positively with children's false belief performance. Relationships between mental state language and theory of mind are discussed.

Fission in intermediate energy heavy ion reactions

International Nuclear Information System (INIS)

Wilhelmy, J.B.; Begemann-Blaich, M.; Blaich, T.; Boissevain, J.; Fowler, M.M.; Gavron, A.; Jacak, B.V.; Lysaght, P.S.; Britt, H.C.; Fields, D.J.; Hansen, L.F.; Lanier, R.G.; Massoletti, D.J.; Namboodiri, M.M.; Remington, B.A.; Sangster, T.C.; Struble, G.L.; Webb, M.L.; Chan, Y.D.; Dacai, A.; Harmon, A.; Leyba, J.; Pouliot, J.; Stokstad, R.G.; Hansen, O.; Levine, M.J.; Thorn, C.E.; Trautmann, W.; Dichter, B.; Kaufman, S.; Videbaek, F.; Fraenkel, Z.; Mamane, G.; Cebra, D.; Westfall, G.D.

1989-01-01

A systematic study of reaction mechanisms at intermediate energies (50-100 MeV/A) has been performed at the Lawrence Berkeley Laboratory's BeValac using medium weight projectiles on medium and heavy element targets. A gas and plastic phoswich detector system was employed which gave large geometric coverage and a wide dynamic response. The particles identified with the gas detectors could be characterized into three components - intermediate mass fragments (IMF), fission fragments (FF) and heavy residues (HR). Major observed features are: The reaction yields are similar in the 50 to 100 MeV/A range, central collisions have high multiplicty of IMF's with broad angular correlations consistent with a large participant region, effects of final state Coulomb interactions are observed and give information on the size and temporal behavior of the source, true fission yields are dependent on target fissility and correlated with relatively peripheral collisions. Analysis of fission and evaporation yields implies limiting conditions for which fission decay remains a viable deexcitation channel. (orig.)

BANKING INTERMEDIATION AND CONSEQUENCES OF FINANCIAL CRISIS

Directory of Open Access Journals (Sweden)

Medar Lucian-Ion

2012-12-01

Full Text Available The financial intermediation of bank institutions, has an essential role in mobilising of the available funds and their distribution in various products and services, for economic growth. The extent that banking system is in distress or passing through a period of crisis, then, everything turns into a general crisis, especially that, in some states, natural and legal persons have been learned ,,to live’’ on the credits.The effectiveness of banking intermediation activity in Romania depends on how fast the market is enabled under the influence of the new European regulations. The Romanian market in all its forms is the second largest in the EU, and the banking system is almost entirely made up of banks with foreign capital. The romanian banking market has not suffered so much because of the financial crisis. To the extent that banking institutions provide the necessary funds, Romania has important resources for the transition to a new economic cycle based on sustainable development.

Fission in intermediate energy heavy ion reactions

International Nuclear Information System (INIS)

Wilhelmy, J.B.; Begemann-Blaich, M.; Blaich, T.

1989-01-01

A systematic study of reaction mechanisms at intermediate energies (50--100 MeV/A) has been performed at the Lawrence Berkeley Laboratory's BeValac using medium weight projectiles on medium and heavy element targets. A gas and plastic phoswich detector system was employed which gave large geometric coverage and a wide dynamic response. The particles identified with the gas detectors could be characterized into three components - intermediate mass fragments (IMF), fission fragments (FF) and heavy residues (HR). Major observed features are: the reaction yields are similar in the 50 to 100 MeV/A range, central collisions have high multiplicity of IMF's with broad angular correlations consistent with a large participant region, effects of final state Coulomb interactions are observed and give information on the size and temporal behavior of the source, true fission yields are dependent on target fissility and correlated with relatively peripheral collisions. Analysis of fission and evaporation yields implies limiting conditions for which fission decay remains a viable deexcitation channel. 7 figs

Relativistic dynamics of quasistable states. I. Perturbation theory for the Poincare group

International Nuclear Information System (INIS)

Wickramasekara, S.

2009-01-01

We propose a theory of resonances by combining the S-matrix approach with the Bakamjian-Thomas (BT) construction. Characterization of resonances by the poles of the S-matrix has many advantages. Foremost among them is perhaps the gauge invariance of the definitions of resonance mass and width, a problem with which some definitions based on field theoretical approaches suffer. The BT construction provides a general framework for constructing Poincare generators for an interacting quantum system. While much of what we develop here can be cast in the language of quantum field theory, in the spirit of BT construction, which does not assume the existence of local field mediating interactions, we will work at the fundamental level of an interacting Poincare algebra. Our construction shows that a subset of this Poincare algebra integrates to a representation of the semigroup of causal transformations of relativistic space-time. These representations are characterized by the spin and S-matrix complex pole position of the resonance. The state vectors that transform under these representations also show an exact exponential decay, the signature of a decaying state. In this sense, the semigroup representations developed here tie together resonances and decaying states into a single theoretical description.

Magnetic re-entrance in intermediate valence compounds

International Nuclear Information System (INIS)

Allub, R.; Machiavelli, O.; Balseiro, C.; Alascio, B.

1980-01-01

The possibility is explored of magnetic re-entrance in intermediate valence compounds. Using a simplified Anderson-Lattice model the pressure-temperature magnetic phase diagram is obtained. This diagram shows that for some value of the microscopic parameters the temperature induced two transitions (non-magnetic to magnetically ordered to paramagnetic). The magnetization and the average occupation number of the localized state are calculated. Estimations of the observability of the effect in systems like CeAl 2 are made. (author)

Intermediate-energy nuclear theory. Progress report, July 1, 1977--June 30, 1978

International Nuclear Information System (INIS)

Bryan, R.A.

1978-03-01

The research reported has centered on the nucleon-nucleon interaction at medium energies, with especial emphasis on the reaction NN → NNπ up to 800 MeV. Elastic NN scattering near the pion production threshold was also investigated, both through phase-shift analysis of data and theoretical interpretation of the intermediate-range force. The quasi-elastic amplitude N anti N → ππ for 4m/sub pi/ 2 less than or equal to t less than or equal to 50m/sub pi/ 2 was studied because of its bearing on the NN problem; a simple but useful model was developed. Finally, work on the pion-photoproduction reaction γN → πΔ was completed, and the close correspondence with the amplitude NN → NNπ exploited. A list of publications is included

BCS wave function, matrix product states, and the Ising conformal field theory

Science.gov (United States)

Montes, Sebastián; Rodríguez-Laguna, Javier; Sierra, Germán

2017-11-01

We present a characterization of the many-body lattice wave functions obtained from the conformal blocks (CBs) of the Ising conformal field theory (CFT). The formalism is interpreted as a matrix product state using continuous ancillary degrees of freedom. We provide analytic and numerical evidence that the resulting states can be written as BCS states. We give a complete proof that the translationally invariant 1D configurations have a BCS form and we find suitable parent Hamiltonians. In particular, we prove that the ground state of the finite-size critical Ising transverse field (ITF) Hamiltonian can be obtained with this construction. Finally, we study 2D configurations using an operator product expansion (OPE) approximation. We associate these states to the weak pairing phase of the p +i p superconductor via the scaling of the pairing function and the entanglement spectrum.

Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional.

Science.gov (United States)

Ziegler, Tom; Krykunov, Mykhaylo; Autschbach, Jochen

2014-09-09

The random phase approximation (RPA) equation of adiabatic time dependent density functional ground state response theory (ATDDFT) has been used extensively in studies of excited states. It extracts information about excited states from frequency dependent ground state response properties and avoids, thus, in an elegant way, direct Kohn-Sham calculations on excited states in accordance with the status of DFT as a ground state theory. Thus, excitation energies can be found as resonance poles of frequency dependent ground state polarizability from the eigenvalues of the RPA equation. ATDDFT is approximate in that it makes use of a frequency independent energy kernel derived from the ground state functional. It is shown in this study that one can derive the RPA equation of ATDDFT from a purely variational approach in which stationary states above the ground state are located using our constricted variational DFT (CV-DFT) method and the ground state functional. Thus, locating stationary states above the ground state due to one-electron excitations with a ground state functional is completely equivalent to solving the RPA equation of TDDFT employing the same functional. The present study is an extension of a previous work in which we demonstrated the equivalence between ATDDFT and CV-DFT within the Tamm-Dancoff approximation.

On a functional equation related to the intermediate long wave equation

International Nuclear Information System (INIS)

Hone, A N W; Novikov, V S

2004-01-01

We resolve an open problem stated by Ablowitz et al (1982 J. Phys. A: Math. Gen. 15 781) concerning the integral operator appearing in the intermediate long wave equation. We explain how this is resolved using the perturbative symmetry approach introduced by one of us with Mikhailov. By solving a certain functional equation, we prove that the intermediate long wave equation and the Benjamin-Ono equation are the unique integrable cases within a particular class of integro-differential equations. Furthermore, we explain how the perturbative symmetry approach is naturally extended to treat equations on a periodic domain. (letter to the editor)

Gauge Theories of Vector Particles

Science.gov (United States)

Glashow, S. L.; Gell-Mann, M.

1961-04-24

The possibility of generalizing the Yang-Mills trick is examined. Thus we seek theories of vector bosons invariant under continuous groups of coordinate-dependent linear transformations. All such theories may be expressed as superpositions of certain "simple" theories; we show that each "simple theory is associated with a simple Lie algebra. We may introduce mass terms for the vector bosons at the price of destroying the gauge-invariance for coordinate-dependent gauge functions. The theories corresponding to three particular simple Lie algebras - those which admit precisely two commuting quantum numbers - are examined in some detail as examples. One of them might play a role in the physics of the strong interactions if there is an underlying super-symmetry, transcending charge independence, that is badly broken. The intermediate vector boson theory of weak interactions is discussed also. The so-called "schizon" model cannot be made to conform to the requirements of partial gauge-invariance.

Approximation methods in probability theory

CERN Document Server

Čekanavičius, Vydas

2016-01-01

This book presents a wide range of well-known and less common methods used for estimating the accuracy of probabilistic approximations, including the Esseen type inversion formulas, the Stein method as well as the methods of convolutions and triangle function. Emphasising the correct usage of the methods presented, each step required for the proofs is examined in detail. As a result, this textbook provides valuable tools for proving approximation theorems. While Approximation Methods in Probability Theory will appeal to everyone interested in limit theorems of probability theory, the book is particularly aimed at graduate students who have completed a standard intermediate course in probability theory. Furthermore, experienced researchers wanting to enlarge their toolkit will also find this book useful.

A universal nonlinear relation among boundary states in closed string field theory

International Nuclear Information System (INIS)

Kishimoto, Isao; Matsuo, Yutaka; Watanabe, Eitoku

2004-01-01

We show that the boundary states satisfy a nonlinear relation (the idempotency equation) with respect to the star product of closed string field theory. This relation is universal in the sense that various D-branes, including the infinitesimally deformed ones, satisfy the same equation, including the coefficient. This paper generalizes our analysis [hep-th/0306189] in the following senses. (1) We present a background-independent formulation based on conformal field theory. It illuminates the geometric nature of the relation and allows us to more systematically analyze the variations around the D-brane background. (2) We show that the Witten-type star product satisfies a similar relation but with a more divergent coefficient. (3) We determine the coefficient of the relation analytically. The result shows that the α parameter can be formally factored out, and the relation becomes universal. We present a conjecture on vacuum theory based on this computation. (author)

Unified strength theory and its applications

CERN Document Server

Yu, Mao-Hong

2004-01-01

This is a completely new theory dealing with the yield and failure of materials under multi-axial stresses. It provides a system of yield and failure criteria adopted for most materials, from metallic materials to rocks, concretes, soils, polymers etc. The Unified Strength Theory has been applied successfully to analyse the elastic limit, plastic limit capacities, the dynamic response behavior for some structures under static and moderate impulsive load, and may be implemented in some elasto-plastic finite element computer codes. The Unified Strength Theory is described in detail and by using this theory a series of results can be obtained. The Unified Strength Theory can improve the conservative Mohr-Coulomb Theory, and since intermediate principal stress is not taken into account in the Mohr-Coulomb theory and most experimental data is not pertainable to the Mohr-Coulomb Theory, a considerable economic benefit may be obtained. The book can also increase the effect of most commercial finite element computer ...

Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

Science.gov (United States)

Xu, Wenhua; Ma, Jianyi; Peng, Daoling; Zou, Wenli; Liu, Wenjian; Staemmler, Volker

2009-02-01

The perrhenate anion, ReO4-, is taken as a showcase of heavy transition metal complexes, to examine the performance of time-dependent relativistic density functional linear response theory for electronic excitations, which is based on a newly proposed exact two-component Hamiltonian resulting from the symmetrized elimination of the small component. In total 30 scalar and 63 spinor excited states are investigated and the results are grossly in good agreement with those by the singles and doubles coupled-cluster linear response theory. It is found that only a few scalar states of 3T1 and 3T2 symmetries are split significantly by the spin-orbit coupling, whereas only those excited states involving the Rydberg-type virtual orbital are affected by the solvent effects. The nature of the optical absorption spectra is also highlighted.

Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

International Nuclear Information System (INIS)

Xu Wenhua; Ma Jianyi; Peng Daoling; Zou Wenli; Liu Wenjian; Staemmler, Volker

2009-01-01

The perrhenate anion, ReO 4 - , is taken as a showcase of heavy transition metal complexes, to examine the performance of time-dependent relativistic density functional linear response theory for electronic excitations, which is based on a newly proposed exact two-component Hamiltonian resulting from the symmetrized elimination of the small component. In total 30 scalar and 63 spinor excited states are investigated and the results are grossly in good agreement with those by the singles and doubles coupled-cluster linear response theory. It is found that only a few scalar states of 3 T 1 and 3 T 2 symmetries are split significantly by the spin-orbit coupling, whereas only those excited states involving the Rydberg-type virtual orbital are affected by the solvent effects. The nature of the optical absorption spectra is also highlighted

Hydrogeology, Pesticide DRASTIC for the Intermediate Aquifer. Pesticide DRASTIC coverage for the Intermediate Aquifer System. Drastic maps are most useful as a generalized tool to assess regional potential aquifer vulnerability., Published in 1998, 1:24000 (1in=2000ft) scale, Florida Department of Environmental Protection (FDEP).

Data.gov (United States)

NSGIC State | GIS Inventory — Hydrogeology dataset current as of 1998. Pesticide DRASTIC for the Intermediate Aquifer. Pesticide DRASTIC coverage for the Intermediate Aquifer System. Drastic maps...

Targeted Molecular Dynamics to determine Focal Adhesion Targeting Domain Folding Intermediates

Directory of Open Access Journals (Sweden)

Pallavi Mohanty

2017-10-01

Full Text Available The Focal adhesion kinase (FAT domain of Focal Adhesion Kinase is a four helical bundle known for conformational plasticity. FAT adopts two distinctly different conformations i.e., close (cFAT and arm-exchanged (aeFAT states under native conditions [1]. The slow transition from cFAT to aeFAT is likely to proceed through an open intermediate state that allows YENV motif to attain β-turn conformation and phosphorylation of Y925 by Src kinases [2]. The two end states of FAT are known to interact with Paxillin and are responsible for maintaining steady state in Heart while intermediate conformation interacts with Grb2-SH2 leading to Pathological Cardiac Hypertrophy (PAH [2]. 10ns Targeted Molecular Dynamics (TMD was done between c- and aeFAT in order to explore the conformational transition and to capture pathologically relevant oFAT. Cluster and dynamic cross correlation analysis (DCCA of TMD generated trajectory was done and the selected FAT intermediate was docked with Grb2-SH2 using HADDOCK v2.2 docking followed by molecular dynamics. Conservation analysis of FAT-Grb2 binding site was done using CONSURF [3]. A Pharmacophore FAT-Grb2 complex was generated using SPARKv1.2 and submitted for Virtual screening using BLAZE v4. Drug likeliness and ADMET properties were calculated using MOLINSPIRATION tool. TMD reveals six clusters and DCCA showed positively and negatively correlated region along the transition pathway. Intermediates with competence for Grb2 interaction were docked with Grb2 and best binding complex was further refined. MMPBSA binding energy calculations revealed the best binding pose where the phosphorylated YENV motif of Human FAT interacted with a charged and hydrophobic pocket of Grb2. The conservation analysis showed that the charged pocket was more conserved in comparison with the hydrophobic pocket, hence providing useful insights on binding and specificity determining residues in Grb2. Virtual screening using the pharmacophore

Evidence for an intermediate conformational state of LacY.

Science.gov (United States)

Jiang, Xiaoxu; Guan, Lan; Zhou, Yonggang; Hong, Wen-Xu; Zhang, Qinghai; Kaback, H Ronald

2012-03-20

LacY mutant Cys154 → Gly exhibits a periplasmic-closed crystal structure identical to the WT, but is periplasmic-open in the membrane. The mutant hardly catalyzes transport, but binds galactosides from either side of the membrane with the same affinity and is resistant to site-directed proteolysis relative to the pseudo-WT. Site-directed alkylation was also applied to 11 single-Cys mutants in Cys154 → Gly LacY in right-side-out membrane vesicles or after solubilization and purification in dodecyl-β-D-maltopyranoside (DDM). Unlike the pseudo-WT, Cys replacements on the periplasmic side of the Cys154 → Gly mutant label rapidly in the membrane without sugar, but labeling decreases markedly after the mutant proteins are purified. Thus, Cys154 → Gly LacY likely favors a higher-energy intermediate periplasmic-open conformation in situ, but collapses to a lower-energy periplasmic-closed conformation in DDM after purification. Notably, branched-chain or neopentyl glycol maltoside detergents stabilize Cys154 → Gly LacY in the membrane-embedded form.

Information acquisition and financial intermediation

OpenAIRE

Boyarchenko, Nina

2012-01-01

This paper considers the problem of information acquisition in an intermediated market, where the specialists have access to superior technology for acquiring information. These informational advantages of specialists relative to households lead to disagreement between the two groups, changing the shape of the intermediation-constrained region of the economy and increasing the frequency of periods when the intermediation constraint binds. Acquiring the additional information is, however, cost...

Radio Detections During Two State Transitions of the Intermediate-Mass Black Hole HLX-1

Science.gov (United States)

Webb, Natalie; Cseh, David; Lenc, Emil; Godet, Olivier; Barret, Didier; Corbel, Stephane; Farrell, Sean; Fender, Robert; Gehrels, Neil; Heywood, Ian

2012-01-01

Relativistic jets are streams of plasma moving at appreciable fractions of the speed of light. They have been observed from stellar-mass black holes (approx. 3 to 20 solar masses) as well as supermassive black holes (approx.. 10(exp 6) to 10(exp 9) Solar Mass) found in the centers of most galaxies. Jets should also be produced by intermediate-mass black holes (approx. 10(exp 2) to 10(exp 5) Solar Mass), although evidence for this third class of black hole has, until recently, been weak. We report the detection of transient radio emission at the location of the intermediate-mass black hole candidate ESO 243-49 HLX-1, which is consistent with a discrete jet ejection event. These observations also allow us to refine the mass estimate of the black hole to be between approx. 9 × 10(exp 3) Solar Mass and approx. 9 × 10(exp 4) Solar Mass.

Merging Psychophysical and Psychometric Theory to Estimate Global Visual State Measures from Forced-Choices

International Nuclear Information System (INIS)

Massof, Robert W; Schmidt, Karen M; Laby, Daniel M; Kirschen, David; Meadows, David

2013-01-01

Visual acuity, a forced-choice psychophysical measure of visual spatial resolution, is the sine qua non of clinical visual impairment testing in ophthalmology and optometry patients with visual system disorders ranging from refractive error to retinal, optic nerve, or central visual system pathology. Visual acuity measures are standardized against a norm, but it is well known that visual acuity depends on a variety of stimulus parameters, including contrast and exposure duration. This paper asks if it is possible to estimate a single global visual state measure from visual acuity measures as a function of stimulus parameters that can represent the patient's overall visual health state with a single variable. Psychophysical theory (at the sensory level) and psychometric theory (at the decision level) are merged to identify the conditions that must be satisfied to derive a global visual state measure from parameterised visual acuity measures. A global visual state measurement model is developed and tested with forced-choice visual acuity measures from 116 subjects with no visual impairments and 560 subjects with uncorrected refractive error. The results are in agreement with the expectations of the model

Haag-Ruelle scattering theory as a scattering theory in different spaces of states

International Nuclear Information System (INIS)

Koshmanenko, V.D.

1979-01-01

The aim of the paper is the extraction of the abstract content from the Haag-Ruelle theory, i.e. to find out the total mathematical scheme of the theory without the account of physical axiomatics. It is shown that the Haag-Ruelle scattering theory may be naturally included into the scheme of the abstract theory of scattering with the pair of spaces, the wave operators being determined by the method of bilinear functionals. A number of trivial features of the scattering operator is found in the abstract theory. The concrete prospects of the application of the data obtained are outlined in the problem of the scattering of the field quantum theory

On the algebraic theory of kink sectors: Application to quantum field theory models and collision theory

International Nuclear Information System (INIS)

Schlingemann, D.

1996-10-01

Several two dimensional quantum field theory models have more than one vacuum state. An investigation of super selection sectors in two dimensions from an axiomatic point of view suggests that there should be also states, called soliton or kink states, which interpolate different vacua. Familiar quantum field theory models, for which the existence of kink states have been proven, are the Sine-Gordon and the φ 4 2 -model. In order to establish the existence of kink states for a larger class of models, we investigate the following question: Which are sufficient conditions a pair of vacuum states has to fulfill, such that an interpolating kink state can be constructed? We discuss the problem in the framework of algebraic quantum field theory which includes, for example, the P(φ) 2 -models. We identify a large class of vacuum states, including the vacua of the P(φ) 2 -models, the Yukawa 2 -like models and special types of Wess-Zumino models, for which there is a natural way to construct an interpolating kink state. In two space-time dimensions, massive particle states are kink states. We apply the Haag-Ruelle collision theory to kink sectors in order to analyze the asymptotic scattering states. We show that for special configurations of n kinks the scattering states describe n freely moving non interacting particles. (orig.)

Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory.

Science.gov (United States)

Kvaal, Simen; Helgaker, Trygve

2015-11-14

The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.

Axially symmetric stationary black-hole states of the Einstein gravitational theory

International Nuclear Information System (INIS)

Meinhardt, R.

1976-01-01

Some aspects of the thepry of black-hole states of the Einstein gravitational theory are reviewed in this paper. First explicit vacuum solutions of Einstein's field equations are searched for when the space-time admits 2 isometries (axially symmetric and stationary), which could be considered as candidates for black holes. Then the Liapounov stability of these solutions is studied. A generalization of the Ernst potential is introduced for solutions of Einstein's vacuum field equations with axial symmetry only, and this allows to construct a dynamical system. Using the theory of ''multiple integrals in the calculus of variations'' it is possible to show that the weakest casuality condition (chronology) is a necessary condition for the Liapounov stability. Finally, it is shown that the Kerr solution is Liapounov stable under a given topology

Estimation and asymptotic theory for transition probabilities in Markov Renewal Multi–state models

NARCIS (Netherlands)

Spitoni, C.; Verduijn, M.; Putter, H.

2012-01-01

In this paper we discuss estimation of transition probabilities for semi–Markov multi–state models. Non–parametric and semi–parametric estimators of the transition probabilities for a large class of models (forward going models) are proposed. Large sample theory is derived using the functional

Action-State Orientation and the Theory of Planned Behavior: A Study of Job Search in China

Science.gov (United States)

Song, Zhaoli; Wanberg, Connie; Niu, Xiongying; Xie, Yizhong

2006-01-01

Job search is an important element of people's careers and is especially critical for unemployed individuals. The current study surveyed a sample of 328 unemployed job seekers in China to test hypotheses related to the theory of planned behavior and action-state orientation theory. Results of the three-wave longitudinal study demonstrated that the…

Exploring Bundling Theory with Geometry

Science.gov (United States)

Eckalbar, John C.

2006-01-01

The author shows how instructors might successfully introduce students in principles and intermediate microeconomic theory classes to the topic of bundling (i.e., the selling of two or more goods as a package, rather than separately). It is surprising how much students can learn using only the tools of high school geometry. To be specific, one can…

A novel and facile decay path of Criegee intermediates by intramolecular insertion reactions via roaming transition states

International Nuclear Information System (INIS)

Nguyen, Trong-Nghia; Putikam, Raghunath; Lin, M. C.

2015-01-01

We have discovered a new and highly competitive product channel in the unimolecular decay process for small Criegee intermediates, CH 2 OO and anti/syn-CH 3 C(H)OO, occurring by intramolecular insertion reactions via a roaming-like transition state (TS) based on quantum-chemical calculations. Our results show that in the decomposition of CH 2 OO and anti-CH 3 C(H)OO, the predominant paths directly produce cis-HC(O)OH and syn-CH 3 C(O)OH acids with >110 kcal/mol exothermicities via loose roaming-like insertion TSs involving the terminal O atom and the neighboring C–H bonds. For syn-CH 3 C(H)OO, the major decomposition channel occurs by abstraction of a H atom from the CH 3 group by the terminal O atom producing CH 2 C(H)O–OH. At 298 K, the intramolecular insertion process in CH 2 OO was found to be 600 times faster than the commonly assumed ring-closing reaction

Crossover behavior of the thermal conductance and Kramers’ transition rate theory

Science.gov (United States)

Velizhanin, Kirill A.; Sahu, Subin; Chien, Chih-Chun; Dubi, Yonatan; Zwolak, Michael

2015-12-01

Kramers’ theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive the heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Not only does this shed new light on Kramers’ classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale.