WorldWideScience

Sample records for cs theory states

  1. Theory of singlet-ground-state magnetism. Application to field-induced transitions in CsFeCl3 and CsFeBr3

    DEFF Research Database (Denmark)

    Lindgård, P.-A.; Schmid, B.

    1993-01-01

    In the singlet ground-state systems CsFeCl3 and CsFeBr3 a large single-ion anisotropy causes a singlet ground state and a doubly degenerate doublet as the first excited states of the Fe2+ ion. In addition the magneteic interaction is anisotropic being much larger along the z axis than perpendicular...... to it. Therefore, these quasi-one-dimensional magnetic model systems are ideal to demonstrate unique correlation effects. Within the framework of the correlation theory we derive the expressions for the excitation spectrum. When a magnetic field is applied parallel to the z axis both substances have...

  2. 1+ collective states of 124Cs and 126Cs nuclei

    International Nuclear Information System (INIS)

    Ivanova, S.P.; Kuliev, A.A.; Salamov, D.I.

    1977-01-01

    Within the framework of the random phase approximation β-decay properties of the 1 + states of 124 Cs and 126 Cs have been investigated. Greatly collectivized 1 + states in odd-odd nuclei are produced by the spin-dependent charge-exchange nucleon interaction. For numerical calculations the scheme of single-particle levels in the deformed Saxon-Woods potential has been used

  3. Theory of field induced incommensurability: CsFeCl3

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker

    1986-01-01

    Using correlation theory for the singlet-doublet magnet CsFeCl3 in a magnetic field, a field induced incommensurate ordering along K-M is predicted without invoking dipolar effects. A fully self-consistent RPA theory gives Hc=44 kG in agreement with experiments at T=1.3K. Correlation and dipolar...

  4. 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.

  5. Distribution of Cs137 in soils from Bahia state, Brazil

    International Nuclear Information System (INIS)

    Sakai, T.

    1977-01-01

    A high-resolution gamma-ray spectrometry method was developed in order to study the distribution of Cs 137 in topsoils of State of Bahia (Brazil). The results has shown concentrations varying between 0.6 and 6.0 nCi/m 2 . Correlation of the Cs 137 concentration with environmental and ohysico-chemical parameters has shown a tendency for greatest accumulation in soils with regions of greatest precipitation rates: 2.0 nCi/m 2 , on the average, for regions with 700mm to 1,000 mm/year and 2.8 nCi/m 2 , on the average, in regions with 1,700 mm to 2,000 mm/year. On the other hand, an anti-correlation between this radionuclide and both calcium and clay content, for soils of similar type and under similar climatic conditions is seen. (C.D.G.) [pt

  6. High spin states in odd-odd {sup 132}Cs

    Energy Technology Data Exchange (ETDEWEB)

    Hayakawa, Takehito [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Lu, J; Furuno, K [and others

    1998-03-01

    Excited states with spin larger than 5 {Dirac_h} were newly established in the {sup 132}Cs nucleus via the {sup 124}Sn({sup 11}B,3n) reaction. Rotational bands built on the {nu}h{sub 11/2} x {pi}d{sub 5/2}, {nu}h{sub 11/2} x {pi}g{sub 7/2} and {nu}h{sub 11/2} x {pi}h{sub 11/2} configurations were observed up to spin I {approx} 16 {Dirac_h}. The {nu}h{sub 11/2} x {pi}h{sub 11/2} band shows inverted signature splitting below I < 14 {Dirac_h}. A dipole band was firstly observed in doubly odd Cs nuclei. (author)

  7. Radioecological studies of 137Cs in limnological ecosystems. Biochemical states of 137Cs accumulated in killifish (Medaka, Oryzias latipes) meat

    International Nuclear Information System (INIS)

    Miyake, Sadaaki; Motegi, Misako; Oosawa, Takashi; Nakazawa, Kiyoaki; Izumo, Yoshiro; Nakamura, Fumio.

    1997-01-01

    Biochemical states of 137 Cs accumulated in killifish's (Medaka, Oryzias latipes) meat were investigated in order to elucidate the accumulation mechanism of the radionuclide in goldfish, Carassius auratus auratus, examined in our preceding report. Most of 137 Cs radioactivity in the killifish's raw meat accumulated this radionuclide in the radioactive freshwater, were found in the non-protein nitrogenous compound (NPNC) fraction (>92%), also in the killifish's control raw meat mixed with 137 Cs, the difference between both meat samples was not clear. As the results of gel filtration profiles on Sephadex G-25 for the NPNC fraction of these meats, each only one radioactive peak was shown, also similar to 137 CsCl solution. Moreover, these peaks appeared at the same position. On the other hand, the peak positions absorbed at OD 280nm in the samples were different from those of each radioactive peak. It was so suggested that 137 Cs accumulated in the killifish's meat was shown not to be binding to protein's composition. Furthermore, as the results on thin-layer chromatography, ion-exchange resin chromatography and reaction with 137 Cs in samples and ammonium phosphomolybdate, 137 Cs in the NPNC fraction of the killifish's meat was not almost different from those of each control and 137 CsCl solution. (author)

  8. Satellite bands of the RbCs molecule in the range of highly excited states

    Energy Technology Data Exchange (ETDEWEB)

    Rakić, Mario; Beuc, Robert; Skenderović, Hrvoje, E-mail: hrvoje@ifs.hr [Institute of Physics, Bijenička cesta 46, Zagreb 10000 (Croatia); Bouloufa-Maafa, Nadia; Dulieu, Olivier; Vexiau, Romain [Laboratoire Aimé Cotton, CNRS, Université Paris-Sud, ENS Cachan, Université Paris-Saclay, Bât. 505, Campus d’Orsay, Orsay Cedex 91405 (France); Pichler, Goran [Physics Department, Kuwait University, PO Box 5969, Safat—13060 (Kuwait)

    2016-05-28

    We report on the observation of three RbCs satellite bands in the blue and green ranges of the visible spectrum. Absorption measurements are performed using all-sapphire cell filled with a mixture of Rb and Cs. We compare high resolution absorption spectrum of Rb-Cs vapor mixture with pure Rb and Cs vapor spectra from the literature. After detailed analysis, the new satellite bands of RbCs molecule at 418.3 nm, 468.3, and 527.5 nm are identified. The origin of these bands is discussed by direct comparison with difference potentials derived from quantum chemistry calculations of RbCs potential energy curves. These bands originate from the lower Rydberg states of the RbCs molecule. This study thus provides further insight into photoassociation of lower Rydberg molecular states, approximately between Cs(7s) + Rb(5s) and Cs(6s) + Rb(6p) asymptotes, in ultracold gases.

  9. 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

  10. 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

  11. 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.

  12. Ferromagnetic Peierls insulator state in A Mg4Mn6O15(A =K ,Rb ,Cs )

    Science.gov (United States)

    Yamaguchi, T.; Sugimoto, K.; Ohta, Y.; Tanaka, Y.; Sato, H.

    2018-04-01

    Using the density-functional-theory-based electronic structure calculations, we study the electronic state of recently discovered mixed-valent manganese oxides A Mg4Mn6O15(A =K ,Rb ,Cs ) , which are fully spin-polarized ferromagnetic insulators with a cubic crystal structure. We show that the system may be described as a three-dimensional arrangement of the one-dimensional chains of a 2 p orbital of O and a 3 d orbital of Mn running along the three axes of the cubic lattice. We thereby argue that in the ground state the chains are fully spin polarized due to the double-exchange mechanism and are distorted by the Peierls mechanism to make the system insulating.

  13. 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

  14. Molecular-state cross-section calculations for H+Csarrow-right-leftH-+Cs+

    International Nuclear Information System (INIS)

    Olson, R.E.; Kimura, M.; Sato, H.

    1984-01-01

    Pseudopotential molecular-structure calculations have been used to obtain the seven lowest 1 Σ and 1 Pi states of CsH. These states and their associated radial and rotational coupling terms have been used to calculate the cross sections for H - +Cs + ion-pair production in H+Cs(6s) and H+Cs((6p) collisions at energies from 0.1 to 10 keV. The ion-ion mutual neutralization cross section, H - +Cs + →H+Cs, is also presented. The cross-section calculations were done with the perturbed-stationary-state method, modified to include two-electron translation factors. The ion-pair production cross section for ground-state reactants is in good agreement with experiment; collisions of H with excited Cs((6p) show an order-of-magnitude enhancement of the ion-pair production cross section at 100 eV. The ion-ion mutual neutralization cross section is found to be large, attaining a value of 1.3 x 10 -14 cm 2 at 0.1 keV

  15. Amorphization-induced strong localization of electronic states in CsPbBr3 and CsPbCl3 studied by optical absorption measurements

    Science.gov (United States)

    Kondo, S.; Sakai, T.; Tanaka, H.; Saito, T.

    1998-11-01

    Optical absorption spectra of amorphous CsPbX3 films (X=Br,Cl) are characterized by two Gaussian bands near the fundamental edge, with the optical energy gap largely blueshifted and the absorption intensity strongly reduced as compared with the crystalline films. The peak energies of the bands are close to those of the A and C bands of Pb-doped alkali halides. The spectral features are discussed in terms of a molecular orbital theory based on a quasicomplex Pb2+(X-)6 model similar to the complex model for the doped alkali halides. It is shown that not only Pb2+ 6s and 6p extended states near the band edges but also X- p states contributing to upper valence bands are localized by amorphization. The transitions from the localized Pb2+ 6s to 6p states produce the spin-orbit allowed 3P1 and dipole allowed 1P1 states responsible for the two Gaussians. The localized X- p states lie deeper in energy than the localized Pb2+ 6s state and only contribute to higher-energy absorption above the Gaussian bands, giving the reason for the reduced absorption near the fundamental edge. The blueshift of the optical energy gap is attributed to the disappearance of k dispersions for these one-electron states.

  16. 137Cs inventory in sedimentary columns from continental shelf of Sao Paulo state

    International Nuclear Information System (INIS)

    Figueira, Rubens C.L.; Cordero, Luisa M.; Mahiques, Michel M. de; Tessler, Moyses G.

    2009-01-01

    137 Cs is an artificial radioactive isotope produced by 235 U fission. This radionuclide has a high fission yield and a half-life of 30 years. It has been detected in the environment since 1945 and its principal contamination source has been nuclear tests in the atmosphere. There are other sources of 137 Cs contamination in the environment, such as: release from nuclear and reprocessing plants, radioactive dumping and nuclear accidents (Chernobyl, for example). This paper presents an inventory of 137 Cs on the Continental Shelf of Sao Paulo State, a region located between Cabo de Santa Marta Grande (Santa Catarina state) and Cabo Frio (Rio de Janeiro state). In this area, 9 cores were collected by the Instituto Oceanografico da Universidade de Sao Paulo (Sao Paulo University Institute of Oceanography). The cores were sliced at every 2 cm; sub-samples were lyophilized, grinded and stored in plastic containers. 137 Cs was determined by 661 keV photopeak using a gamma spectrometry detector (Ge hyperpure). The analysis was performed by efficiency and background in different counting times. 137 Cs concentration activities varied from 0.3 to 3.6 Bq kg -1 with a mean value of 1.2±0.6 Bq kg -1 . The inventory of 137 Cs in this area was 13±7 Bq m-2. Values obtained are in agreement with the Southern Hemisphere, a region contaminated by atmospheric fallout due to past nuclear explosions. (author)

  17. {sup 137}Cs inventory in sedimentary columns from continental shelf of Sao Paulo state

    Energy Technology Data Exchange (ETDEWEB)

    Figueira, Rubens C.L.; Cordero, Luisa M.; Mahiques, Michel M. de; Tessler, Moyses G., E-mail: rfigueira@usp.b [Universidade de Sao Paulo (USP), SP (Brazil). Inst. Oceanografico. Dept. de Oceanografia Fisica, Quimica e Geologica; Cruz, Jacson L.S. [Universidade Cruzeiro do Sul, Sao Paulo, SP (Brazil)

    2009-07-01

    {sup 137}Cs is an artificial radioactive isotope produced by {sup 235}U fission. This radionuclide has a high fission yield and a half-life of 30 years. It has been detected in the environment since 1945 and its principal contamination source has been nuclear tests in the atmosphere. There are other sources of {sup 137}Cs contamination in the environment, such as: release from nuclear and reprocessing plants, radioactive dumping and nuclear accidents (Chernobyl, for example). This paper presents an inventory of {sup 137}Cs on the Continental Shelf of Sao Paulo State, a region located between Cabo de Santa Marta Grande (Santa Catarina state) and Cabo Frio (Rio de Janeiro state). In this area, 9 cores were collected by the Instituto Oceanografico da Universidade de Sao Paulo (Sao Paulo University Institute of Oceanography). The cores were sliced at every 2 cm; sub-samples were lyophilized, grinded and stored in plastic containers. {sup 137}Cs was determined by 661 keV photopeak using a gamma spectrometry detector (Ge hyperpure). The analysis was performed by efficiency and background in different counting times. {sup 137}Cs concentration activities varied from 0.3 to 3.6 Bq kg{sup -1} with a mean value of 1.2+-0.6 Bq kg{sup -1}. The inventory of {sup 137}Cs in this area was 13+-7 Bq m-2. Values obtained are in agreement with the Southern Hemisphere, a region contaminated by atmospheric fallout due to past nuclear explosions. (author)

  18. 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.

  19. Radioecological studies of {sup 137}Cs in limnological ecosystems. Biochemical states of {sup 137}Cs accumulated in killifish (Medaka, Oryzias latipes) meat

    Energy Technology Data Exchange (ETDEWEB)

    Miyake, Sadaaki; Motegi, Misako; Oosawa, Takashi; Nakazawa, Kiyoaki [Saitama Institute of Public Health, Urawa (Japan); Izumo, Yoshiro; Nakamura, Fumio

    1997-07-01

    Biochemical states of {sup 137}Cs accumulated in killifish`s (Medaka, Oryzias latipes) meat were investigated in order to elucidate the accumulation mechanism of the radionuclide in goldfish, Carassius auratus auratus, examined in our preceding report. Most of {sup 137}Cs radioactivity in the killifish`s raw meat accumulated this radionuclide in the radioactive freshwater, were found in the non-protein nitrogenous compound (NPNC) fraction (>92%), also in the killifish`s control raw meat mixed with {sup 137}Cs, the difference between both meat samples was not clear. As the results of gel filtration profiles on Sephadex G-25 for the NPNC fraction of these meats, each only one radioactive peak was shown, also similar to {sup 137}CsCl solution. Moreover, these peaks appeared at the same position. On the other hand, the peak positions absorbed at OD{sub 280nm} in the samples were different from those of each radioactive peak. It was so suggested that {sup 137}Cs accumulated in the killifish`s meat was shown not to be binding to protein`s composition. Furthermore, as the results on thin-layer chromatography, ion-exchange resin chromatography and reaction with {sup 137}Cs in samples and ammonium phosphomolybdate, {sup 137}Cs in the NPNC fraction of the killifish`s meat was not almost different from those of each control and {sup 137}CsCl solution. (author)

  20. An adiabatic spectroscopic investigation of the CsRb system in ground and numerous excited states

    Science.gov (United States)

    Souissi, Hanen; Jellali, Soulef; Maha, Chaieb; Habli, Héla; Oujia, Brahim; Gadéa, Florent Xavier

    2017-10-01

    Via ab-initio approximations, we investigate the electronic and structural features of the CsRb molecule. Adiabatic potential energy curves of 261,3Σ+, 181,3Π and 61,3Δ electronic states with their derived spectroscopic constants as well as vibrational levels spacing have been carried out and well explained. Our approach is founded on an Effective Core Potential (ECP) describing the valence electrons of the system. Using a large Gaussian basis set, the full valence Configuration Interaction can be applied easily on the two-effective valence electrons of the CsRb system. Furthermore, a detailed analysis of the electric dipolar properties has been made through the investigation of both permanent and transition dipole moments (PDM and TDM). It is significant that the ionic character connected with electron transfer that is linked to Cs+ Rb- state has been clearly illustrated in the adiabatic permanent dipole moment.

  1. Multiparticle states in the S = 1 chain system CsNiCl3

    DEFF Research Database (Denmark)

    Kenzelmann, M.; Cowley, R.A.; Buyers, W.J.L.

    2001-01-01

    A continuum of magnetic states has been observed by neutron scattering from the spin-1 chain compound CsNiCl3 in its disordered gapped one-dimensional phase. Results using both triple-axis and time-of-flight spectrometers show that around the antiferromagnetic point Q(c) = pi, the continuum lies...

  2. Potential curves and spectroscopic study of the electronic states of the molecular ion LiCs+

    International Nuclear Information System (INIS)

    Moughrabi, A.; Korek, M.; Allouche, A.R.

    2004-01-01

    Full text.Due to a very accurate high-resolution techniques and to the spectacular developments in ultracold alkali atom trapping developments which are at the root of photo association spectroscopy there has been a renewed interest on the spectroscopic study of alkali dimers. The existence of new experimental data on these species has stimulated theoretical approaches, necessary to provide predictions accurate enough to be useful for interpretation and evenly for guidance of experiments. With the aim of improving the accuracy of predictions we will perform a theoretical study of the electronic structure of the molecular ion LiCs + , using a method mainly in the way by which core-valence effects are taken into account. To investigate the electronic structure of LiCs + we will use the package CIPSI (Configuration Interaction by Perturbation of a multiconfiguration wave function Selected Interactively) of the Laboratoire de Physique Quantique (Toulouse, France). The atoms Li and Cs will be treated through non-empirical effective one electron core potentials of Durand and Barthelat type. Molecular orbitals for LiCs + will be derived from Self Consistent Field Calculations (SCF) and full valence Configuration Interaction (IC) calculations. A core-core interaction more elaborated than the usual approximation 1/R will be taken into account as the sum of an exponential repulsive term plus a long range dispersion term approximated by the well known London formula. Potential energy calculations will be performed for different molecular states, for numerous values of the inter-nuclear distance R in a wide range. Spectroscopic constants have been derived for the bound states with a regular shape A ro vibrational study have been performed for the ground states with a calculation of the rotational and centrifugal distortion constants. A calculation for the transition dipole moment and matrix elements have been done for the bound states

  3. Geometric scaling of Efimov states in a ⁶Li-¹³³Cs mixture.

    Science.gov (United States)

    Tung, Shih-Kuang; Jiménez-García, Karina; Johansen, Jacob; Parker, Colin V; Chin, Cheng

    2014-12-12

    In few-body physics, Efimov states are an infinite series of three-body bound states that obey universal discrete scaling symmetry when pairwise interactions are resonantly enhanced. Despite abundant reports of Efimov states in recent cold atom experiments, direct observation of the discrete scaling symmetry remains an elusive goal. Here we report the observation of three consecutive Efimov resonances in a heteronuclear Li-Cs mixture near a broad interspecies Feshbach resonance. The positions of the resonances closely follow a geometric series 1, λ, λ². The observed scaling constant λ(exp)=4.9(4) is in good agreement with the predicted value of 4.88.

  4. Phenomenology of the interplay between IR-improved DGLAP-CS theory and NLO ME matched parton shower MC precision

    International Nuclear Information System (INIS)

    Majhi, S.K.; Mukhopadhyay, A.; Ward, B.F.L.; Yost, S.A.

    2013-01-01

    We present the current status of the application of our approach of exact amplitude-based resummation in quantum field theory to precision QCD calculations, by realistic MC event generator methods, as needed for precision LHC physics. In this ongoing program of research, we discuss recent results as they relate to the interplay of the attendant IR-improved DGLAP-CS theory of one of us and the precision of exact NLO matrix element matched parton shower MC's in the Herwig6.5 environment in relation to recent LHC experimental observations. There continues to be reason for optimism in the attendant comparison of theory and experiment

  5. Phenomenology of the interplay between IR-improved DGLAP-CS theory and NLO ME matched parton shower MC precision

    Energy Technology Data Exchange (ETDEWEB)

    Majhi, S.K., E-mail: tpskm@iacs.res.in [Indian Association for the Cultivation of Science, Kolkata (India); Mukhopadhyay, A., E-mail: aditi_mukhopadhyay@baylor.edu [Baylor University, Waco, TX (United States); Ward, B.F.L., E-mail: bfl_ward@baylor.edu [Baylor University, Waco, TX (United States); Yost, S.A., E-mail: scott.yost@citadel.edu [The Citadel, Charleston, SC (United States)

    2013-02-26

    We present the current status of the application of our approach of exact amplitude-based resummation in quantum field theory to precision QCD calculations, by realistic MC event generator methods, as needed for precision LHC physics. In this ongoing program of research, we discuss recent results as they relate to the interplay of the attendant IR-improved DGLAP-CS theory of one of us and the precision of exact NLO matrix element matched parton shower MC's in the Herwig6.5 environment in relation to recent LHC experimental observations. There continues to be reason for optimism in the attendant comparison of theory and experiment.

  6. 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.

  7. Intrinsic Instability of Cs2In(I)M(III)X6 (M = Bi, Sb; X = Halogen) Double Perovskites: A Combined Density Functional Theory and Experimental Study.

    Science.gov (United States)

    Xiao, Zewen; Du, Ke-Zhao; Meng, Weiwei; Wang, Jianbo; Mitzi, David B; Yan, Yanfa

    2017-05-03

    Recently, there has been substantial interest in developing double-B-cation halide perovskites, which hold the potential to overcome the toxicity and instability issues inherent within emerging lead halide-based solar absorber materials. Among all double perovskites investigated, In(I)-based Cs 2 InBiCl 6 and Cs 2 InSbCl 6 have been proposed as promising thin-film photovoltaic absorber candidates, with computational examination predicting suitable materials properties, including direct bandgap and small effective masses for both electrons and holes. In this study, we report the intrinsic instability of Cs 2 In(I)M(III)X 6 (M = Bi, Sb; X = halogen) double perovskites by a combination of density functional theory and experimental study. Our results suggest that the In(I)-based double perovskites are unstable against oxidation into In(III)-based compounds. Further, the results show the need to consider reduction-oxidation (redox) chemistry when predicting stability of new prospective electronic materials, especially when less common oxidation states are involved.

  8. Direct fit of spectroscopic data of diatomic molecules by using genetic algorithms: II. The ground state of RbCs

    International Nuclear Information System (INIS)

    Almeida, Marcos M; Prudente, Frederico V; Fellows, Carlos E; Marques, Jorge M C; Pereira, Francisco B

    2011-01-01

    We extend our previous methodology based on genetic algorithms (Marques et al 2008 J. Phys. B: At. Mol. Opt. Phys. 41 085103) to carry out the challenging fit of the RbCs potential curve to spectroscopic data. Specifically, we have fitted an analytic functional form to line positions of the high-resolution Fourier transform spectrum of RbCs obtained by a laser-induced fluorescence technique. The results for the ground electronic state of RbCs show that the present method provides an efficient way to obtain diatomic potentials with great accuracy.

  9. High-spin states beyond the proton drip-line: Quasiparticle alignments in {sup 113}Cs

    Energy Technology Data Exchange (ETDEWEB)

    Wady, P.T. [School of Engineering, University of the West of Scotland, Paisley, PA1 2BE (United Kingdom); Scottish Universities Physics Alliance (United Kingdom); Smith, J.F., E-mail: John.F.Smith@uws.ac.uk [School of Engineering, University of the West of Scotland, Paisley, PA1 2BE (United Kingdom); Scottish Universities Physics Alliance (United Kingdom); Hadinia, B. [School of Engineering, University of the West of Scotland, Paisley, PA1 2BE (United Kingdom); Scottish Universities Physics Alliance (United Kingdom); Cullen, D.M.; Freeman, S.J. [School of Physics and Astronomy, University of Manchester, Manchester, M13 9PL (United Kingdom); Darby, I.G. [Department of Physics, Oliver Lodge Laboratory, University of Liverpool, Liverpool, L69 7ZE (United Kingdom); Eeckhaudt, S.; Grahn, T.; Greenlees, P.T.; Jones, P.M.; Julin, R.; Juutinen, S.; Kettunen, H.; Leino, M.; Leppänen, A.-P. [Department of Physics, University of Jyväskylä, FIN-40014, Jyväskylä (Finland); McGuirk, B.M. [Department of Physics, Oliver Lodge Laboratory, University of Liverpool, Liverpool, L69 7ZE (United Kingdom); Nieminen, P.; Nyman, M. [Department of Physics, University of Jyväskylä, FIN-40014, Jyväskylä (Finland); Page, R.D. [Department of Physics, Oliver Lodge Laboratory, University of Liverpool, Liverpool, L69 7ZE (United Kingdom); Pakarinen, J. [Department of Physics, University of Jyväskylä, FIN-40014, Jyväskylä (Finland); and others

    2015-01-05

    Excited states have been studied in the deformed proton emitter {sup 113}Cs. Gamma-ray transitions have been unambiguously assigned to {sup 113}Cs by correlation with its characteristic proton decay, using the method of recoil-decay tagging. Two previously identified rotational bands have been observed and extended to tentative spins of 45/2 and 51/2ħ, with excitation energies over 8 MeV above the lowest state. These are the highest angular momenta and excitation energies observed to date in any nucleus beyond the proton drip-line. Transitions in the bands have been rearranged compared to previous work. A study of aligned angular momenta, in comparison to the predictions of Woods–Saxon cranking calculations, is consistent with the most intense band being based on the πg{sub 7/2}[422]3/2{sup +} configuration, which would contradict the earlier πh{sub 11/2} assignment, and with the second band being based on the πd{sub 5/2}[420]1/2{sup +} configuration. The data suggest that the band based upon the πh{sub 11/2} configuration is not observed.

  10. Theoretical study on decay of the 4d core-excited states of Cs III

    International Nuclear Information System (INIS)

    Ding Xiaobin; Dong Chenzhong; Fritzsche, Stephan

    2008-01-01

    In a recent XUV photoabsorption spectrum of Cs III ions by Cummings and O'Sullivan [2001 J. Phys. B 34 199], rather large linewidths were found for the 4d 9 5s 2 5p 6 – 4d 10 5s 2 5p 5 transition which are quite in disagreement with corresponding quasi-relativistic multiconfiguration Hartree–Fock (MCHF) calculation. In the present work, a detailed multiconfiguration Dirac-Fock study has been carried out to explore this discrepancy. Owing to the detailed consideration of electron correlation effects, some 'forbidden' Auger decay channels, such as 4d 10 5s 2 5p 3 5d and 4d 10 5s 0 5p 6 , would become 'open'. As a result, remarkable improvement of the linewidths has been obtained in our calculation. Furthermore, the theoretical Auger spectrum of the 4d 9 5s 2 5p 6 core-excited states of Cs III ions is given in the present work

  11. In situ Spectroscopy of Solid-State Chemical Reaction in PbBr2-Deposited CsBr Crystals

    Science.gov (United States)

    Kondo, Shin-ichi; Matsunaga, Toshihiro; Saito, Tadaaki; Asada, Hiroshi

    2003-09-01

    It is possible to measure the fundamental optical absorption spectra of CsPbBr3 and Cs4PbBr6, whose stability is predicted by the study of phase diagram in the binary system CsBr-PbBr2, by means of in situ optical absorption and reflection spectroscopy of thermally induced solid-state chemical reaction in PbBr2-deposited CsBr crystals. On heavy annealing of the crystals, the Pb2+ ions are uniformly dispersed in the crystal matrix. The present experiment provides a novel method for measuring intrinsic optical absorption of ternary metal halides and also for in situ monitoring of doping metal halide crystal with impurities (metal ions or halogen ions).

  12. 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.)

  13. Ground-state hyperfine splitting for Rb, Cs, Fr, Ba+, and Ra+

    Science.gov (United States)

    Ginges, J. S. M.; Volotka, A. V.; Fritzsche, S.

    2017-12-01

    We have systematically investigated the ground-state hyperfine structure for alkali-metal atoms 87Rb,133Cs, and 211Fr and alkali-metal-like ions +135Ba and +225Ra, which are of particular interest for parity violation studies. The quantum electrodynamic one-loop radiative corrections have been rigorously evaluated within an extended Furry picture employing core-Hartree and Kohn-Sham atomic potentials. Moreover, the effect of the nuclear magnetization distribution on the hyperfine structure intervals has been studied in detail and its uncertainty has been estimated. Finally, the theoretical description of the hyperfine structure has been completed with full many-body calculations performed in the all-orders correlation potential method.

  14. 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

  15. New low-spin states of 122Xe observed via high-statistics β-decay of 122Cs

    Science.gov (United States)

    Jigmeddorj, B.; Garrett, P. E.; Andreoiu, C.; Ball, G. C.; Bruhn, T.; Cross, D. S.; Garnsworthy, A. B.; Hadinia, B.; Moukaddam, M.; Park, J.; Pore, J. L.; Radich, A. J.; Rajabali, M. M.; Rand, E. T.; Rizwan, U.; Svensson, C. E.; Voss, P.; Wang, Z. M.; Wood, J. L.; Yates, S. W.

    2018-05-01

    Excited states of 122Xe were studied via the β+/EC decay of 122Cs with the 8π γ-ray spectrometer at the TRIUMF-ISAC facility. Compton-suppressed HPGe detectors were used for measurements of γ-ray intensities, γγ coincidences, and γ-γ angular correlations. Two sets of data were collected to optimize the decays of the ground (21.2 s) and isomeric (3.7 min) states of 122Cs. The data collected have enabled the observation of about 505 new transitions and about 250 new levels, including 51 new low-spin states. Spin assignments have been made for 58 low-spin states based on the deduced β-decay feeding and γ-γ angular correlation analyses.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. A preliminary survey of soil erosion in a small basin in the Parana state by using 137Cs methodology

    International Nuclear Information System (INIS)

    Andrello, A.C.; Appoloni, C.R.; Parreira, P.S.; Guimaraes, M.F.

    2000-01-01

    The measurement of 137 Cs redistribution in the field allows the determination of soil erosion/accumulation. 137 Cs is an artificial radionuclide that was introduced in the environment through nuclear tests and deposited as radioactive fallout. 137 Cs has a relatively long half-life of 30.2 years and when in contact with the soil is rapid and strongly adsorbed by clay an organic particles. The adsorbed 137 Cs in soil is a useful tracer of soil erosion when soil 'labeled' with 137 Cs is eroded, the 137 Cs is transported with the soil in the same proportion. A 137 Cs inventory for an individual sampling point, which is less than the reference sample value, is indicative of erosion, whereas an inventory greater than the reference sample value, indicates deposition. With the objective of a preliminary verification of using this methodology, seven areas were chosen for soil sampling in a small basin at Parana state, Brazil. Six of them were cultivated areas and also a reference area, without agricultural use, that didn't presents signs of soil erosion and deposition. 137 Cs activity of soil samples was measured employing a HpGe gamma ray detector and a standard spectrometric nuclear electronic chain. The activities of the 18 samples of the six measured areas (3 samples from each area, one at the top, one at the medium level and one at the lower level), varied from 0.39 Bq.kg -1 to 2.31 Bq.kg -1 . The measured activity of the reference area was 1.39 Bq.kg -1 . Losses (or gains) of soil in the different areas were determined making use of three published equations. These equations were derived in terms of 137 Cs activity, but we adapted them only in terms of the area under 137 Cs peak, in counts per second (cps), and the mass of the samples in order to avoid the deviation in the efficiency of the system. One of this equations , in cps, is: Y = [(N s . (m r /m s ) - N r )/N r ] . (2640/28), where Y is loss or gain of the soil; N s is the area under the 137 Cs peak in the

  1. The study of structural, elastic, electronic and optical properties of CsYx I(1 − x(Y = F, Cl, Br using density functional theory

    Directory of Open Access Journals (Sweden)

    Mian Shabeer Ahmad

    2017-04-01

    Full Text Available The structural, electronic, elastic and optical properties of CsYx I(1 − x(Y = F, Cl, Br are investigated using full potential linearized augmented plane wave (FP-LAPW method within the generalized gradient approximation (GGA. The ground state properties such as lattice constant (ao and bulk modulus (K have been calculated. The mechanical properties including Poisson’s ratio (σ, Young’s modulus (E, anisotropy factor (A and shear modulus (G were also calculated. The results of these calculations are comparable with the reported experimental and theoretical values. The ductility of CsYx I(1 − x was analyzed using Pugh’s rule (B/G ratio and Cauchy’s pressure (C12−C44. Our results revealed that CsF is the most ductile among the CsYxI(1 − x(Y = F, Cl, Br compounds. The incremental addition of lighter halogens (Yx slightly weakens the strength of ionic bond in CsYxI(1 − x. Moreover, the optical transitions were found to be direct for binary and ternary CsYxI(1 − x. We hope that this study will be helpful in designing binary and ternary Cs halides for optoelectronic applications.

  2. Spectroscopic calculation of the excited electronic states with spin orbit effect of the molecule NaCs

    International Nuclear Information System (INIS)

    Bleik, S.; Korek, M.; Allouche, A.R.

    2004-01-01

    Full text.The existence of new experimental data on the alkali dimers has stimulated theoretical approaches, necessary to provide predictions accurate enough to be useful for interpretation and evenly for guidance of experiments. With the aim of improving the accuracy of predictions we will perform a theoretical study of the electronic structure of the molecule NaCs using a method mainly in the way by which core-valence effects are taken into account. To investigate the electronic structure of NaCs we will use the package CIPSI (Configuration Interaction by Perturbation of a multiconfiguration wave function Selected Interactively) of the Laboratoire de Physique Quantique (Toulouse, France). The atoms Na and Cs will be treated through non-empirical effective one electron core potentials of Durand and Barthelat type. Molecular orbitals for NaCs will be derived from Self Consistent field Calculations (SCF) and full valence Configuration Interaction (IC) calculations. A core-core interaction more elaborated than the usual approximation 1/R will be taken into account as the sum of an exponential repulsive term plus a long range dispersion term approximated by the well known London formula. Potential energy calculations will be performed for different molecular states, for numerous values of the inter-nuclear distance R in a wide range. Spectroscopic constants have been derived for the bound states with regular shape. A ro vibrational study have been performed for the ground states with a calculation of the rotational and centrifugal distortion constants. A calculation for the transition dipole moment and matrix elements have been done for the bound states

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. Current state 137Cs contamination of cow milk in the northern regions of Ukraine

    International Nuclear Information System (INIS)

    Levchuk, S.Je.; Lazarjev, M.M.; Pavlyuchenko, V.V.

    2016-01-01

    Analysis of the results of the selective monitoring of 137 Cs in cow milk in settlements, where values of the milk contamination have not met requirements of the permissible levels since the Chernobyl accident, was performed. Monitoring network, which was created at the institute, is covering the most critical settlements of Zhytomyr, Rivne and Volyn regions. The article presents data on radionuclide contamination of cow milk for the last 5 years (2011 - 2015), while observations are carried out since the 90th of the last century. Long - term data show that the current dynamics of contamination of cow milk in these settlements is comparable to the decrease of 137 Cs activity due to its physical decay

  8. 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.

  9. 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

  10. Early stages of Cs adsorption mechanism for GaAs nanowire surface

    Science.gov (United States)

    Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu

    2018-03-01

    In this study, the adsorption mechanism of Cs adatoms on the (100) surface of GaAs nanowire with [0001] growth direction is investigated utilizing first principles method based on density function theory. The adsorption energy, work function, atomic structure and electronic property of clean surface and Cs-covered surfaces with different coverage are discussed. Results show that when only one Cs is adsorbed on the surface, the most favorable adsorption site is BGa-As. With increasing Cs coverage, work function gradually decreases and gets its minimum at 0.75 ML, then rises slightly when Cs coverage comes to 1 ML, indicating the existence of 'Cs-kill' phenomenon. According to further analysis, Cs activation process can effectively reduce the work function due to the formation of a downward band bending region and surface dipole moment directing from Cs adatom to the surface. As Cs coverage increases, the conduction band minimum and valence band maximum both shift towards lower energy side, contributed by the orbital hybridization between Cs-5s, Cs-5p states and Ga-4p, As-4s, As-4p states near Fermi level. The theoretical calculations and analysis in this study can improve the Cs activation technology for negative electron affinity optoelectronic devices based on GaAs nanowires, and also provide a reference for the further Cs/O or Cs/NF3 activation process.

  11. Nonlinear magnetoelectric effect and magnetostriction in piezoelectric CsCuCl{sub 3} in paramagnetic and antiferromagnetic states

    Energy Technology Data Exchange (ETDEWEB)

    Kharkovskiy, A. I., E-mail: akharkovskiy@inbox.ru [International Laboratory of High Magnetic Fields and Low Temperatures, Gajowicka 95, 53-421 Wrocław (Poland); L.F. Vereshchagin Institute for High Pressure Physics RAS, 142190 Troitsk, Moscow (Russian Federation); Shaldin, Yu. V. [International Laboratory of High Magnetic Fields and Low Temperatures, Gajowicka 95, 53-421 Wrocław (Poland); Institute for Crystallography RAS, Lenin' s Avenue 59, 119333 Moscow (Russian Federation); Nizhankovskii, V. I. [International Laboratory of High Magnetic Fields and Low Temperatures, Gajowicka 95, 53-421 Wrocław (Poland)

    2016-01-07

    The direct nonlinear magnetoelectric (ME) effect and the magnetostriction of piezoelectric CsCuCl{sub 3} single crystals were comprehensively studied over a wide temperature range in stationary magnetic fields of up to 14 T. The direct nonlinear ME effect measurements were also performed in pulsed magnetic fields up to 31 T, at liquid helium temperature in the antiferromagnetic (AF) state for the crystallographic direction in which effect has the maximum value. The nonlinear ME effect was quadratic in the paramagnetic state for the whole range of magnetic fields. In the AF state the phase transition between different configurations of spins manifested itself as plateau-like peculiarity on the nonlinear ME effect. The nonlinear ME effect was saturated by the phase transition to the spin-saturated paramagnetic state. Two contributions to the nonlinear ME effects in CsCuCl{sub 3} were extracted from the experimental data: the intrinsic ME effect originated from the magnetoelectric interactions, and the extrinsic one, which resulted from a magnetostriction-induced piezoelectric effect.

  12. Soil fertility and 137 Cs redistribution as related to land use, landscape and texture in a watershed of Paraiba State

    International Nuclear Information System (INIS)

    Santos, Antonio Clementino dos

    2004-03-01

    Intensive land use and growing deforestation of the natural vegetation in Northeastern Brazil have contributed to the degradation of resources, particularly the decrease of soil fertility. As a result, biodiversity and ecosystem capacity to restore its resources after disturbances have been diminished. The decrease in soil fertility is more substantial in areas dominated by an undulating topography. In these areas, erosion is intensified when crops or pasture replaces natural vegetation. Even though degradation processes are reflected in environmental, social, and economical changes, there is a lack of information regarding the interrelationship between these changes and soil fertility and erosion. Thus, the 'Vaca Brava' watershed (14,04 km 2 ), located in the 'Agreste' region of Paraiba State, was selected to study the interrelationships between land use, landscape, particle size distribution, soil fertility and erosion using 137 Cs redistribution. Small farms, where subsistence agriculture is intensive, are common in this watershed, as well as areas for environmental protection. A georreferenced survey of the watershed topography was initially carried out. Based on the survey data, the watershed was digitalized using a scale of 1:5000, and a 3-D map was created. Each landform element had its area determined on a area (absolute value) and percentage (relative value) basis. Shoulder, backslope and footslope positions represented 83% of the cultivated area in the watershed. A data base of 360 georreferenced soil samples (0-20 cm), collected using a stratified sampling scheme, was further created. Sites were stratified based on their landscape position (summit, shoulder, backslope, footslope, and toeslope) in factorial combination with land use (annual crops, pasture, Pennisetum purpureum, Mimosa caesalpiniae folia, bush fallow, and native forest). Physical analyses of the soil samples included particle size distribution and bulk density, whereas soil chemical

  13. 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.

  14. Investigation on ultracold RbCs molecules in (2)0{sup +} long-range state below the Rb(5S{sub 1/2}) + Cs(6P{sub 1/2}) asymptote by high resolution photoassociation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Jinpeng; Ji, Zhonghua; Li, Zhonghao; Zhao, Yanting, E-mail: zhaoyt@sxu.edu.cn; Xiao, Liantuan; Jia, Suotang [State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006 (China)

    2015-07-28

    We present high resolution photoassociation spectroscopy of RbCs molecules in (2)0{sup +} long-range state below the Rb(5S{sub 1/2}) + Cs(6P{sub 1/2}) asymptote and derive the corresponding C{sub 6} coefficient, which is used to revise the potential energy curves. The excited state molecules are produced in a dual-species dark spontaneous force optical trap and detected by ionizing ground state molecules after spontaneous decay, using a high sensitive time-of-flight mass spectrum. With the help of resonance-enhanced two-photon ionization technique, we obtain considerable high resolution photoassociation spectrum with rovibrational states, some of which have never been observed before. By applying the LeRoy-Bernstein method, we assign the vibrational quantum numbers and deduce C{sub 6} coefficient, which agrees with the theoretical value of A{sup 1}Σ{sup +} state correlated to Rb(5S{sub 1/2}) + Cs(6P{sub 1/2}) asymptote. The obtained C{sub 6} coefficient is used to revise the long-range potential energy curve for (2)0{sup +} state, which possesses unique A − b mixing characteristic and can be a good candidate for the production of absolutely ground state molecule.

  15. Preliminary survey of soil erosion in a micro-basin in the Brazilian state of Parana, using the Cs-137 methodology

    International Nuclear Information System (INIS)

    Andrello, Avacir Casanova; Appoloni, Carlos Roberto; Parreira, Paulo Sergio

    2000-01-01

    The measurement of the 137 Cs redistribution in the field allows the determination of soil erosion or deposition in an area. The 137 Cs activities were measured in soil samples to determine the soil losses or gains in a basin at the north of Parana State. The detection efficiency was determined by measurement of standards, prepared with well-known activities of 137 Cs. The soil losses or gains were determinate in up-slope, hill-slope and down-slope, in six different transect in the studied basin using three models of the literature. (author)

  16. Phenomenological study of the interplay between IR-improved DGLAP-CS theory and the precision of an NLO ME matched parton shower MC

    International Nuclear Information System (INIS)

    Majhi, S.K.; Mukhopadhyay, A.; Ward, B.F.L.; Yost, S.A.

    2014-01-01

    We present a phenomenological study of the current status of the application of our approach of exact amplitude-based resummation in quantum field theory to precision QCD calculations, by realistic MC event generator methods, as needed for precision LHC physics. We discuss recent results as they relate to the interplay of the attendant IR-improved DGLAP-CS theory of one of us and the precision of exact NLO matrix-element matched parton shower MC’s in the Herwig6.5 environment as determined by comparison to recent LHC experimental observations on single heavy gauge boson production and decay. The level of agreement between the new theory and the data continues to be a reason for optimism. In the spirit of completeness, we discuss as well other approaches to the same theoretical predictions that we make here from the standpoint of physical precision with an eye toward the (sub-)1% QCD⊗EW total theoretical precision regime for LHC physics. - Highlights: • Using LHC data, we show that IR-improved DGLAP-CS kernels with exact NLO Shower/ME matching improves MC precision. • We discuss other possible approaches in comparison with ours. • We propose experimental tests to discriminate between competing approaches

  17. Phenomenological study of the interplay between IR-improved DGLAP-CS theory and the precision of an NLO ME matched parton shower MC

    Energy Technology Data Exchange (ETDEWEB)

    Majhi, S.K., E-mail: tpskm@iacs.res.in [Indian Association for the Cultivation of Science, Kolkata (India); Mukhopadhyay, A., E-mail: aditi_mukhopadhyay@baylor.edu [Baylor University, Waco, TX (United States); Ward, B.F.L., E-mail: bfl_ward@baylor.edu [Baylor University, Waco, TX (United States); Yost, S.A., E-mail: scott.yost@citadel.edu [The Citadel, Charleston, SC (United States)

    2014-11-15

    We present a phenomenological study of the current status of the application of our approach of exact amplitude-based resummation in quantum field theory to precision QCD calculations, by realistic MC event generator methods, as needed for precision LHC physics. We discuss recent results as they relate to the interplay of the attendant IR-improved DGLAP-CS theory of one of us and the precision of exact NLO matrix-element matched parton shower MC’s in the Herwig6.5 environment as determined by comparison to recent LHC experimental observations on single heavy gauge boson production and decay. The level of agreement between the new theory and the data continues to be a reason for optimism. In the spirit of completeness, we discuss as well other approaches to the same theoretical predictions that we make here from the standpoint of physical precision with an eye toward the (sub-)1% QCD⊗EW total theoretical precision regime for LHC physics. - Highlights: • Using LHC data, we show that IR-improved DGLAP-CS kernels with exact NLO Shower/ME matching improves MC precision. • We discuss other possible approaches in comparison with ours. • We propose experimental tests to discriminate between competing approaches.

  18. 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

  19. Critical Theory of Communication: New Readings of Lukács, Adorno, Marcuse, Honneth and Habermas in the Age of the Internet

    OpenAIRE

    Fuchs, Christian

    2016-01-01

    "This book contributes to the foundations of a critical theory of communication as shaped by the forces of digital capitalism. One of the world's leading theorists of digital media Professor Christian Fuchs explores how the thought of some of the Frankfurt School’s key thinkers can be deployed for critically understanding media in the age of the Internet. Five essays that form the heart of this book review aspects of the works of Georg Lukács, Theodor W. Adorno, Herbert Marcuse, Axel Honneth ...

  20. 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

  1. 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.

  2. 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 ...

  3. Describing the anisotropic 133Cs solid state NMR interactions in cesium chromate

    Czech Academy of Sciences Publication Activity Database

    Czernek, Jiří; Brus, Jiří

    2017-01-01

    Roč. 684, 16 September (2017), s. 8-13 ISSN 0009-2614 R&D Projects: GA MŠk(CZ) LO1507 Institutional support: RVO:61389013 Keywords : NMR * DFT * solid state Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 1.815, year: 2016

  4. Compilation of 137Cs concentrations at selected sites in the continental United States

    International Nuclear Information System (INIS)

    Mohr, R.A.; Franks, L.A.

    1982-01-01

    This report summarizes results of cesium-137 analyses of soil samples obtained at 21 locations throughout the continental United States. The sites were all in the vicinity of operating nuclear power reactors, or those scheduled for operation. Selected fallout and meteorological data are also included

  5. 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

  6. State-of-the-art Theory Application

    Science.gov (United States)

    Gully, S.

    1983-01-01

    Nonlinear failure detection and isolation (FDI), robust FDI, coordinate controller, detector, estimator, and isolator, AI/modern systems theory, sensor fusion, and man-machine interaction are addressed.

  7. 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

  8. 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

  9. 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

  10. 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

  11. Thermal ionization and plasma state of high temperature vapor of UO2, Cs, and Na: Effect on the heat and radiation transport properties of the vapor phase

    International Nuclear Information System (INIS)

    Karow, H.U.

    1979-01-01

    The paper deals with the question how far the thermophysical state and the convective and radiative heat transport properties of vaporized reactor core materials are affected by the thermal ionization existing in the actual vapor state. The materials under consideration here are: nuclear oxide fuel (UO 2 ), Na (as the LMFBR coolant material), and Cs (alkaline fission product, partly retained in the fuel of the core zone). (orig./RW) [de

  12. 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.

  13. 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.

  14. Massive states in chiral perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Mallik, S [Saha Inst. of Nuclear Physics, Calcutta (India)

    1995-08-01

    It is shown that the chiral nonanalytic terms generated by {Delta}{sub 33} resonance in the nucleon self-energy is reproduced in chiral perturbation theory by perturbing appropriate local operators contained in the pion-nucleon effective Lagrangian itself. (orig.)

  15. 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

  16. Ab initio configuration interaction study on the energetics and electronic structure of the 1-52Σ+ and 1-32Π states of CS+

    International Nuclear Information System (INIS)

    Honjou, Nobumitsu

    2006-01-01

    The energetics and electronic structure of the 1-5 2 Σ + and 1-3 2 Π states of CS + at and around the equilibrium internuclear distance R e for the CS X 1 Σ + state are studied by carrying out ab initio configuration interaction (CI) calculations. The spectroscopic constants of T e , ω e , and R e for the 1-4 2 Σ + , 1 2 Π, and 3 2 Π states are evaluated from the CI potential energy curves (PECs). The avoided crossing between the 2-3 2 Σ + PECs causes the 3 2 Σ + minimum and explains the observed high intensities for the photoionization from the CS X 1 Σ + state to both the 2-3 2 Σ + states. The avoided crossing between the 3-4 2 Σ + PECs produces the 3 2 Σ + maximum and 4 2 Σ + well minimum. The avoided crossing between the 2-3 2 Π PECs results in the 3 2 Π minimum and a small minimum spacing (0.14 eV) between the PECs

  17. Theory for the mixed-valence state

    International Nuclear Information System (INIS)

    Varma, C.M.

    1979-01-01

    A theory is presented which explains why mixed-valence compounds behave as two component Fermi liquids, and why TmSe orders magnetically while the other known mixed-valence compounds do not. The variation of Tsub(N) and the field Hsub(T) to obtain ferromagnetic alignment with changing Tm 2+ /Tm 3+ ratio is quantitatively explained. For Tm 2+ concentration > = 0.3, TmSe is predicted to order ferromagnetically

  18. Thermodynamic Properties from Corresponding States Theory

    DEFF Research Database (Denmark)

    Mollerup, Jørgen

    1980-01-01

    A corresponding states approach has been applied to the two-constant equations of state by Wilson, Soave, Peng—Robinson, Hamam et al., Lu et al., Simonet—Behar, and Chaudron et al. in order to obtain the equivalent shape-factor correlations. The correlations derived are compared with the Leach...

  19. Distribuição de 137Cs em três solos representativos do estado de pernambuco Distribution of 137Cs in three representative soils of pernambuco state, Brazil

    Directory of Open Access Journals (Sweden)

    Patrik Diogo Antunes

    2010-06-01

    in the last decades. In Northeastern Brazil no such sites have been evaluated yet. Three areas with flat topography, native vegetation and undisturbed soil were selected in of Goiana, Araripina and Sertânia counties, state of Pernambuco. Four points in each area were marked at a distance of 20 to 50 m away from each other and soil samples were collected in 3 cm depth intervals, down to 30 cm. The 137Cs activities were determined using gamma spectrometry with a hyperpure germanium detector. Average contents of 137Cs (Bq m-2 were 71.6 ± 6.3 in Goiana, 64.0 ± 13.8 in Araripina and 95.5 ± 9.8 in Sertânia. Values in this range have been reported in Paraíba and Bahia, and higher ones in the Southeastern region, confirming the reduction of stocks in areas closer to the equator. The highest activities occurred in the surface layers, ranging from 0.5 to 1.6 Bq kg-1, and decreased linearly with depth until the detection limits: 18 cm in Araripina, 15 cm in Goiana, and 9 cm in Sertânia. In Goiana, the activity was highest (2.06 ± 1.0 Bq kg-1 in an organic horizon above a inorganic horizon. The high activities and stock and lower depth in Sertânia could be explained by the predominance of 2:1 clay minerals versus 1:1 clay minerals in the other areas. 137Cs activities were positively correlated with water and KCl pH values and negatively correlated with Al concentrations. The results confirm that, in the reference areas, 137Cs activities are highest in the surface layers, decreasing regularly down the soil profile.

  20. 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.

  1. 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.…

  2. Solid State Physics Introduction to the Theory

    CERN Document Server

    Patterson, James D

    2007-01-01

    Learning Solid State Physics involves a certain degree of maturity, since it involves tying together diverse concepts from many areas of physics. The objective is to understand, in a basic way, how solid materials behave. To do this one needs both a good physical and mathematical background. One definition of Solid State Physics is it is the study of the physical (e.g. the electrical, dielectric, magnetic, elastic, and thermal) properties of solids in terms of basic physical laws. In one sense, Solid State Physics is more like chemistry than some other branches of physics because it focuses on common properties of large classes of materials. It is typical that Solid State Physics emphasizes how physics properties link to electronic structure. We have retained the term Solid State Physics, even though Condensed Matter Physics is more commonly used. Condensed Matter Physics includes liquids and non-crystalline solids such as glass, which we shall not discuss in detail. Modern Solid State Physics came of age in ...

  3. Quantum theory of the solid state

    CERN Document Server

    Callaway, Joseph

    1991-01-01

    This new edition presents a comprehensive, up-to-date survey of the concepts and methods in contemporary condensed matter physics, emphasizing topics that can be treated by quantum mechanical methods. The book features tutorial discussions of a number of current research topics.Also included are updated treatments of topics that have developed significantly within the past several years, such as superconductivity, magnetic impurities in metals, methods for electronic structure calculations, magnetic ordering in insulators and metals, and linear response theory. Advanced level graduate students

  4. A steady state theory for processive cellulases

    DEFF Research Database (Denmark)

    Cruys-Bagger, Nicolaj; Olsen, Jens Elmerdahl; Præstgaard, Eigil

    2013-01-01

    coefficient’, which represents the probability of the enzyme dissociating from the substrate strand before completing n sequential catalytic steps, where n is the mean processivity number measured experimentally. Typical processive cellulases have high substrate affinity, and therefore this probability is low....... This has significant kinetic implications, for example the maximal specific rate (Vmax/E0) for processive cellulases is much lower than the catalytic rate constant (kcat). We discuss how relationships based on this theory may be used in both comparative and mechanistic analyses of cellulases....

  5. Ground State of Quasi-One Dimensional Competing Spin Chain Cs2Cu2Mo3O12 at zero and Finite Fields

    Science.gov (United States)

    Matsui, Kazuki; Goto, Takayuki; Angel, Julia; Watanabe, Isao; Sasaki, Takahiko; Hase, Masashi

    The ground state of competing-spin-chain Cs2Cu2Mo3O12 with the ferromagnetic exchange interaction J1 = -93 K on nearest-neighboring spins and the antiferromagnetic one J2 = +33 K on next-nearest-neighboring spins was investigated by ZF/LF-μSR and 133Cs-NMR in the 3He temperature range. The zero-field μSR relaxation rate λ shows a significant increase below 1.85 K, suggesting the existence of magnetic order, which is consistent with the recent report on the specific heat. However, LF decoupling data at the lowest temperature 0.3 K indicate that the spins fluctuate dynamically, suggesting that the system is in a quasi-static ordered state under zero field. This idea is further supported by the fact that the broadening in NMR spectra below TN is weakened at low field below 2 T.

  6. 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.

  7. Solid-state e.m.f. and calorimetric measurements on Cs2Cr2O7(I)

    International Nuclear Information System (INIS)

    Venugopal, V.; Iyer, V.S.; Agarwal, R.; Roy, K.N.; Prasad, R.; Sood, D.D.

    1987-01-01

    The standard molar Gibbs free energy of formation of Cs 2 Cr 2 O 7 (1) has been determined in the temperature range 797 to 874 K, using a solid-oxide-electrolyte galvanic cell. The melting and transition temperatures, molar enthalpies of fusion and of transition of the same caesium compound were determined in the temperature range 662 to 826 K, using a high temperature Calvet microcalorimeter. Results on the standard molar enthalpy of formation of Cs 2 Cr 2 O 7 at 298.15 K are in good agreement with those reported by other workers. (U.K.)

  8. All-solid-state ultraviolet 330 nm laser from frequency-doubling of Nd:YLF red laser in CsB3O5

    International Nuclear Information System (INIS)

    Chen, Ming; Wang, Zhi-chao; Wang, Bao-shan; Yang, Feng; Zhang, Guo-chun; Zhang, Shen-jin; Zhang, Feng-feng; Zhang, Xiao-wen; Zong, Nan; Wang, Zhi-min; Bo, Yong; Peng, Qin-jun; Cui, Da-fu; Wu, Yi-cheng; Xu, Zu-yan

    2016-01-01

    We demonstrate an ultraviolet (UV) 330 nm laser from second-harmonic generation (SHG) of an all-solid-state Nd:YLF red laser in a CsB 3 O 5 (CBO) crystal for the first time, to our best knowledge. Under an input power of 4.8 W at 660 nm, a maximum average output power of 330 nm laser was obtained to be 1.28 W, corresponding to a frequency conversion efficiency of about 26.7%.

  9. Intake of Cs 137 in wild boars (Sus scrofa l.) daily ration on the territory of Palesski state radiation-ecological reserve

    International Nuclear Information System (INIS)

    Deryabina, T.G.

    2006-01-01

    Total radiation activity according to Cs 137 in daily ration of adult wild boar's species on the territory of Palesski state radiation-ecological reserve is 15,7 kBq in autumn, 26,8 kBq in winter. Taking soil consumption, together with food, into consideration it is 21,7 kBq in autumn and 32,8 kBq in winter. (authors)

  10. 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.

  11. 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

  12. Scattering theory methods for bound state problems

    International Nuclear Information System (INIS)

    Raphael, R.B.; Tobocman, W.

    1978-01-01

    For the analysis of the properties of a bound state system one may use in place of the Schroedinger equation the Lippmann-Schwinger (LS) equation for the wave function or the LS equation for the reactance operator. Use of the LS equation for the reactance operator constrains the solution to have correct asymptotic behaviour, so this approach would appear to be desirable when the bound state wave function is to be used to calculate particle transfer form factors. The Schroedinger equation based N-level analysis of the s-wave bound states of a square well is compared to the ones based on the LS equation. It is found that the LS equation methods work better than the Schroedinger equation method. The method that uses the LS equation for the wave function gives the best results for the wave functions while the method that uses the LS equation for the reactance operator gives the best results for the binding energies. The accuracy of the reactance operator based method is remarkably insensitive to changes in the oscillator constant used for the harmonic oscillator function basis set. It is also remarkably insensitive to the number of nodes in the bound state wave function. (Auth.)

  13. 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...

  14. Theory of heavy quark-antiquark states

    International Nuclear Information System (INIS)

    Shifman, M.A.

    1981-01-01

    A brief review of data on Q anti Q quark-antiquark states is presented. Masses and leptonic widths of Q anti Q levels on the basis of QCD sum rules are determined. Spin effects in Q anti Q interactions are discussed. Hadronic transitions between quarkonium levels and the processes of tau/psi→γ + light hadrons, Y→γ + light hadrons are considered [ru

  15. 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

  16. Temperature and Pressure Dependence of the Reaction S plus CS (+M) -> CS2 (+M)

    DEFF Research Database (Denmark)

    Glarborg, Peter; Marshall, Paul; Troe, Juergen

    2015-01-01

    Experimental data for the unimolecular decomposition of CS2 from the literature are analyzed by unimolecular rate theory with the goal of obtaining rate constants for the reverse reaction S + CS (+M) -> CS2 (+M) over wide temperature and pressure ranges. The results constitute an important input...

  17. 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

  18. 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.

  19. 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.

  20. Lattice and Valence Electronic Structures of Crystalline Octahedral Molybdenum Halide Clusters-Based Compounds, Cs2[Mo6X14] (X = Cl, Br, I), Studied by Density Functional Theory Calculations.

    Science.gov (United States)

    Saito, Norio; Cordier, Stéphane; Lemoine, Pierric; Ohsawa, Takeo; Wada, Yoshiki; Grasset, Fabien; Cross, Jeffrey S; Ohashi, Naoki

    2017-06-05

    The electronic and crystal structures of Cs 2 [Mo 6 X 14 ] (X = Cl, Br, I) cluster-based compounds were investigated by density functional theory (DFT) simulations and experimental methods such as powder X-ray diffraction, ultraviolet-visible spectroscopy, and X-ray photoemission spectroscopy (XPS). The experimentally determined lattice parameters were in good agreement with theoretically optimized ones, indicating the usefulness of DFT calculations for the structural investigation of these clusters. The calculated band gaps of these compounds reproduced those experimentally determined by UV-vis reflectance within an error of a few tenths of an eV. Core-level XPS and effective charge analyses indicated bonding states of the halogens changed according to their sites. The XPS valence spectra were fairly well reproduced by simulations based on the projected electron density of states weighted with cross sections of Al K α , suggesting that DFT calculations can predict the electronic properties of metal-cluster-based crystals with good accuracy.

  1. 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.

  2. 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.

  3. Study of 137 Cs contamination in Rochedo Reservoir, Meia Ponte river (Goias State) from the radiologic accident in Goiania

    International Nuclear Information System (INIS)

    De Luca, Marcia Emilia M.

    1997-01-01

    Through 137 Cs concentration profiles in sediments from Rochedo Reservoir, it was possible to estimate the amount of this radionuclide (94 GBq) which has reached the Meia Ponte River system, as a consequence of the Goiania radiological accident in 1987. Based on in-situ measurements as well as on laboratory studies, the influence of N H 4 + concentration on the K d value was also investigated. The results have shown that for high N H 4 + concentrations there is a clear correlation between both parameters. It was also observed the influence on the aging effect on the 137 Cs release from the sediment, as well as of the illite content in it. (author)

  4. Properties of Haldane Excitations and Multiparticle States in the Antiferromagnetic Spin-1 Chain Compound CsNiCl3

    International Nuclear Information System (INIS)

    Kenzelmann, M.; Cowley, R.A.; Buyers, W.J.L.; Tun, Z.; Coldea, Radu; Enderle, M.

    2002-01-01

    We report inelastic time-of-flight and triple-axis neutron scattering measurements of the excitation spectrum of the coupled antiferromagnetic spin-1 Heisenberg chain system CsNiCl 3 . Measurements over a wide range of wave-vector transfers along the chain confirm that above T N CsNiCl 3 is in a quantum-disordered phase with an energy gap in the excitation spectrum. The spin correlations fall off exponentially with increasing distance with a correlation length ζ = 4.0(2) sites at T = 6.2K. This is shorter than the correlation length for an antiferromagnetic spin-1 Heisenberg chain at this temperature, suggesting that the correlations perpendicular to the chain direction and associated with the interchain coupling lower the single-chain correlation length. A multiparticle continuum is observed in the quantum-disordered phase in the region in reciprocal space where antiferromagnetic fluctuations are strongest, extending in energy up to twice the maximum of the dispersion of the well-defined triplet excitations. We show that the continuum satisfies the Hohenberg-Brinkman sum rule. The dependence of the multiparticle continuum on the chain wave vector resembles that of the two-spinon continuum in antiferromagnetic spin-1/2 Heisenberg chains. This suggests the presence of spin-1/2 degrees of freedom in CsNiCl 3 for T ∼< 12 K, possibly caused by multiply frustrated interchain interactions.

  5. Fast clustering algorithm for large ECG data sets based on CS theory in combination with PCA and K-NN methods.

    Science.gov (United States)

    Balouchestani, Mohammadreza; Krishnan, Sridhar

    2014-01-01

    Long-term recording of Electrocardiogram (ECG) signals plays an important role in health care systems for diagnostic and treatment purposes of heart diseases. Clustering and classification of collecting data are essential parts for detecting concealed information of P-QRS-T waves in the long-term ECG recording. Currently used algorithms do have their share of drawbacks: 1) clustering and classification cannot be done in real time; 2) they suffer from huge energy consumption and load of sampling. These drawbacks motivated us in developing novel optimized clustering algorithm which could easily scan large ECG datasets for establishing low power long-term ECG recording. In this paper, we present an advanced K-means clustering algorithm based on Compressed Sensing (CS) theory as a random sampling procedure. Then, two dimensionality reduction methods: Principal Component Analysis (PCA) and Linear Correlation Coefficient (LCC) followed by sorting the data using the K-Nearest Neighbours (K-NN) and Probabilistic Neural Network (PNN) classifiers are applied to the proposed algorithm. We show our algorithm based on PCA features in combination with K-NN classifier shows better performance than other methods. The proposed algorithm outperforms existing algorithms by increasing 11% classification accuracy. In addition, the proposed algorithm illustrates classification accuracy for K-NN and PNN classifiers, and a Receiver Operating Characteristics (ROC) area of 99.98%, 99.83%, and 99.75% respectively.

  6. 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.

  7. 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

  8. 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.

  9. Application of the Cavity theory in the calibration of the powder TLD-100 for energies of 60 Co, 137 Cs, 192 Ir and RX 50, 250 k Vp

    International Nuclear Information System (INIS)

    Loaiza C, S.P.; Alvarez R, J.T.

    2006-01-01

    A powder lot TLD-100 (LiF:Mg,Ti) in absorbed dose terms in water D w for the following radiation sources: 60 Co, 137 Cs and RX 50 and 250 k Vp is calibrated; to continuation is made a lineal interpolation of the TLD response in function of the effective energy of the sources to calibrate a source of 192 Ir. The calibration of those fields in D w are carried out with aid of the Bragg-Gray cavity theory, the one which finds implicit in the following protocols: IAEA-TRS 398 for the 60 Co and the AAPM TG61 for X Rays of 50 and 250 k Vp. Additionally the AAPM protocol TG43 to determine the D w in function of the kerma intensity S k in the case of the 137 Cs is used. The calibration curves for the response of the TLD-100 R TLD vs D w , corresponding to each one of the sources already mentioned are constructed. The R TLD vs D w by least heavy square by means of a second order polynomial that corrects the supralineality of the response is adjusted. The curves are validated by lack of LOF adjustment and by the Anderson Darling normality test. Later the factors of sensitivity (F s ) for the sources of 192 Ir: Micro Selectron and Vari Source are interpolated, used respectively in the A and B hospitals for treatments of brachytherapy of high dose rate (HDR), the expanded uncertainties associated to the D w and F s are also determined. Finally, an acrylic phantom and a couple of capsules are already sent to the hospitals mentioned, to verify a nominal D w of 2 Gy, in a case an underestimate in 5.5% in the imparted D w and in other an overestimation in a range of -1.5 to -8.0% was obtained. The obtained results in this work establish the bases for the development of a national dosimetric quality control program for brachytherapy of HDR with sources of 192 Ir. (Author)

  10. 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)

  11. 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

  12. 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

  13. 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.

  14. Magnetic field effects on the soft mode in a singlet ground-state dimer system: a neutron scattering study of Cs3Cr2Br9

    DEFF Research Database (Denmark)

    Leuenberger, Bruno; Gudel, Hans U.; Feile, Rudolf

    1985-01-01

    Neutron scattering experiments in a magnetic field have been performed on the singlet ground-state dimer system Cs3Cr2Br9. At low fields the Zeeman splitting of the soft mode evolves in agreement with the isotropic random-phase approximation (RPA) model, with the notable absence of a quasielastic...... peak. At a temperature of 1.7K the expected long-range magnetic order is not found at the predicted field of 2.8 T, indicating the shortcomings of the isotropic RPA model in the critical region. Magnetic intensity on the weak nuclear Bragg peak (1¯1¯4) indicates a probable ordering with a ferromagnetic...

  15. 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

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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)

  2. 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.

  3. 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)

  4. 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

  5. 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.

  6. Quasi-freestanding graphene on Ni(111) by Cs intercalation

    KAUST Repository

    Alattas, Maha Hassan Mohssen

    2016-05-26

    A possible approach to achieve quasi-freestanding graphene on a substrate for technological purpose is the intercalation of alkali metal atoms. Cs intercalation between graphene and Ni(111) therefore is investigated using density functional theory, incorporating van der Waals corrections. It is known that direct contact between graphene and Ni(111) perturbs the Dirac states. We find that Cs intercalation restores the linear dispersion characteristic of Dirac fermions, which agrees with experiments, but the Dirac cone is shifted to lower energy, i.e., the graphene sheet is n-doped. Cs intercalation therefore decouples the graphene sheet from the substrate except for a charge transfer. On the other hand, the spin polarization of Ni(111) does not extend through the intercalated atoms to the graphene sheet, for which we find virtually spin-degeneracy.

  7. Quasi-freestanding graphene on Ni(111) by Cs intercalation

    KAUST Repository

    Alattas, Maha Hassan Mohssen

    2017-01-08

    It is of technological interest to achieve quasi-freestanding graphene on a substrate. A possible approach is the intercalation of alkali metal atoms. Cs intercalation between graphene and Ni(111) is investigated using density functional theory, incorporating van der Waals corrections. It is known that direct contact between graphene and Ni(111) perturbs the Dirac states. Cs intercalation restores the linear dispersion characteristic of Dirac fermions, which is in agreement with experiments1, but the Dirac cone is shifted to lower energy, i.e., the graphene sheet is n-doped. Cs intercalation therefore effectively decouples the graphene sheet from the substrate except for a charge transfer. On the other hand, the spin polarization of Ni(111) does not extend through the intercalated atoms to the graphene sheet, for which we find virtually spin-degeneracy.

  8. CS Informativeness Governs CS-US Associability

    Science.gov (United States)

    Ward, Ryan D.; Gallistel, C. R.; Jensen, Greg; Richards, Vanessa L.; Fairhurst, Stephen; Balsam, Peter D

    2012-01-01

    In a conditioning protocol, the onset of the conditioned stimulus (CS) provides information about when to expect reinforcement (the US). There are two sources of information from the CS in a delay conditioning paradigm in which the CS-US interval is fixed. The first depends on the informativeness, the degree to which CS onset reduces the average expected time to onset of the next US. The second depends only on how precisely a subject can represent a fixed-duration interval (the temporal Weber fraction). In three experiments with mice, we tested the differential impact of these two sources of information on rate of acquisition of conditioned responding (CS-US associability). In Experiment 1, we show that associability (the inverse of trials to acquisition) increases in proportion to informativeness. In Experiment 2, we show that fixing the duration of the US-US interval or the CS-US interval or both has no effect on associability. In Experiment 3, we equated the increase in information produced by varying the C̅/T̅ ratio with the increase produced by fixing the duration of the CS-US interval. Associability increased with increased informativeness, but, as in Experiment 2, fixing the CS-US duration had no effect on associability. These results are consistent with the view that CS-US associability depends on the increased rate of reward signaled by CS onset. The results also provide further evidence that conditioned responding is temporally controlled when it emerges. PMID:22468633

  9. 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.

  10. 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)

  11. Cs{sub 4}P{sub 2}Se{sub 10}: A new compound discovered with the application of solid-state and high temperature NMR

    Energy Technology Data Exchange (ETDEWEB)

    Gave, Matthew A; Canlas, Christian G [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Chung, In [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States); Iyer, Ratnasabapathy G [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Kanatzidis, Mercouri G [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States)], E-mail: m-kanatzidis@northwestern.edu; Weliky, David P. [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States)], E-mail: weliky@chemistry.msu.edu

    2007-10-15

    The new compound Cs{sub 4}P{sub 2}Se{sub 10} was serendipitously produced in high purity during a high-temperature synthesis done in a nuclear magnetic resonance (NMR) spectrometer. {sup 31}P magic angle spinning (MAS) NMR of the products of the synthesis revealed that the dominant phosphorus-containing product had a chemical shift of -52.8 ppm that could not be assigned to any known compound. Deep reddish brown well-formed plate-like crystals were isolated from the NMR reaction ampoule and the structure was solved with X-ray diffraction. Cs{sub 4}P{sub 2}Se{sub 10} has the triclinic space group P-1 with a=7.3587(11) A, b=7.4546(11) A, c=10.1420(15) A, {alpha}=85.938(2){sup o}, {beta}=88.055(2){sup o}, and {gamma}=85.609(2){sup o} and contains the [P{sub 2}Se{sub 10}]{sup 4-} anion. To our knowledge, this is the first compound containing this anion that is composed of two tetrahedral (PSe{sub 4}) units connected by a diselenide linkage. It was also possible to form a glass by quenching the melt in ice water, and Cs{sub 4}P{sub 2}Se{sub 10} was recovered upon annealing. The static {sup 31}P NMR spectrum at 350 deg. C contained a single peak with a -35 ppm chemical shift and a {approx}7 ppm peak width. This study highlights the potential of solid-state and high-temperature NMR for aiding discovery of new compounds and for probing the species that exist at high temperature. - Graphical abstract: The new compound Cs{sub 4}P{sub 2}Se{sub 10} was discovered following a high-temperature in situ synthesis in the NMR spectrometer and the structure was determined by single-crystal X-ray diffraction. It contains the new [P{sub 2}Se{sub 10}]{sup 4-} anion.

  12. 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.

  13. 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

  14. 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

  15. Theoretical study of spin–orbit and Coriolis coupling among the low-lying states of Rb{sub 2} and Cs{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Pazyuk, Elena A.; Revina, Elena I.; Stolyarov, Andrey V., E-mail: avstol@phys.chem.msu.ru

    2015-11-25

    Highlights: • Spin–orbit and angular coupling matrix elements of Rb{sub 2} and Cs{sub 2} were ab initio calculated. • The predicted molecular parameters agree well with the most experimental counterparts. • Non-adiabatic treatment of Rb{sub 2} and Cs{sub 2} properties could be accomplished with high accuracy. - Abstract: The spin–orbit (SO) and angular (Coriolis) coupling matrix elements of rubidium and cesium dimers have been calculated between the states converging to the lowest three dissociation limits. The relevant quasi-relativistic matrix elements were evaluated for a wide range of internuclear distances and density grid in the basis of the spin-averaged wave functions corresponding to pure Hund’s coupling case (a). Both shape and energy consistent small (9-electrons) effective core pseudopotentials were used to monitor a sensitivity of the matrix elements to the particular basis set. The dynamic correlation has been taken accounted by a large scale multi-reference configuration interaction method which was applied for only two valence electrons. The l-independent core-polarization potentials were employed to take into account the residual core-valence effect. The assessment of current accuracy of the present ab initio functions is discussed by a comparison with preceding calculations and their empirical counterparts.

  16. 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.

  17. Cs-137 migration in soil near NPPs

    International Nuclear Information System (INIS)

    Silant'ev, A.N.; Shkuratova, I.G.; Khatskevich, R.N.

    1984-01-01

    A convective-diffusion model has been employed for describing Cs-137 migration in soil. The migration parameters were determined by comparing the calculated vertical distribution profiles with the experimental ones. The migration parameters dependence on the soil state has been studied. Cs-137 penetration rate was found to be function of the soil type, surface state, soil wetness and orography. The obtained values are presented. A method is suggested for revealing the soil surface contamination by Cs-137 produced during NPP operation with distinguishing it from the global contamination background. For this purpose Cs-137 content in the upper 5 mm soil layer is estimated [ru

  18. Theoretical investigation of the Cs*Hen>=3 exciplexes

    International Nuclear Information System (INIS)

    Zbiri, Mohamed; Daul, Claude

    2005-01-01

    The X 2 Σ 1/2 , A 2 Π 1/2 , B 2 Σ 1/2 , and A 2 Π 3/2 states of Cs*He n exciplexes, with n={3,...,9}, are studied using first principle density functional theory (DFT) formalism combined with the zeroth order regular approximation (ZORA). The zero points energies (ZPEs) E 0 for Cs*He n are calculated at a first step, in order to estimate the stability of the studied exciplexes. Relativistic calculations are carried out including spin-orbit effect (SO), and potential energy surfaces of Cs*He 6 are shown. The electronic distribution shapes of the studied molecules are also discussed, and their emission lines are evaluated and compared to a new discovered experimental emission spectra, which has been recently assigned, using a semi-empirical model, to Cs(AΠ 1/2 )He 7 . Our first principle calculation suggests that the discovered emission line is most probably due to a decay of Cs(AΠ 1/2 )He 6

  19. 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

  20. 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.

  1. 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

  2. Solid state theory. An introduction. 2. rev. and ext. ed.

    International Nuclear Information System (INIS)

    Roessler, 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. (orig.)

  3. O-Chlorobenzylidene Malononitrile (CS Riot Control Agent) Exposures and Associated Acute Respiratory Illnesses in a United States Army Basic Combat Training Cohort

    Science.gov (United States)

    2014-03-14

    one 650 mg CS capsule on the surface of an empty, heated coffee can for every 30 m3 of chamber volume (19; 22; 38). Once the initial 32...plate is set to high (= 199ْ C) and the coffee can is preheated for approximately five minutes. Calculations showed that 8.5 capsules were...to enter an enclosed, CS-rich environment created by thermally dispersing CS capsules (Department of Defense Identification Code [DODIC] K765) in a

  4. 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.)

  5. Phase transitions and equation of state of CsI under high pressure and the development of a focusing system for x-rays

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yan.

    1990-11-01

    The phase transitions and equation of state of ionic solid cesium iodide were studied under high pressure and room temperature in a diamond anvil cell. The studies were carried out using both energy dispersive and angular dispersive diffraction methods on synchrotron radiation sources over the pressure range from atmospheric pressure to over 300 gigapascals (3 million atmospheres). CsI undergoes a distinct phase transition at about 40 GPa, a pressure that is much lower than the reported insulator-metal transition at 110 GPa, from the atmospheric pressure B2(CsCl) structure to an orthorhombic structure. At higher pressures, a continuous distortion in the structure was observed with a final structure similar to a hcp lattice under ultra high pressure. No volume discontinuity was observed at the insulator-metal transition. The newly found transition sequence is different from the result of previous static compression studies. The current structure has a smaller unit cell volume than the previous assignment. This has resolved a long existing controversy among the previous static compression studies, the dynamic compression studies, and the theoretical studies. The current results also explain the apparent discrepancy between the present study and the previous static studies. We also present the development of a focusing system for high energy x-rays (> 12 keV) that is particularly suited for high pressure diffraction studies. This system uses a pair of multilayer coated spherical mirrors in a Kirkpatrick-Baez geometry. A focused beam size less than 10 micron in diameter can be readily achieved with sufficient intensity to perform diffraction studies. 93 refs., 46 figs., 15 tabs.

  6. Phase transitions and equation of state of CsI under high pressure and the development of a focusing system for x-rays

    International Nuclear Information System (INIS)

    Wu, Yan.

    1990-11-01

    The phase transitions and equation of state of ionic solid cesium iodide were studied under high pressure and room temperature in a diamond anvil cell. The studies were carried out using both energy dispersive and angular dispersive diffraction methods on synchrotron radiation sources over the pressure range from atmospheric pressure to over 300 gigapascals (3 million atmospheres). CsI undergoes a distinct phase transition at about 40 GPa, a pressure that is much lower than the reported insulator-metal transition at 110 GPa, from the atmospheric pressure B2(CsCl) structure to an orthorhombic structure. At higher pressures, a continuous distortion in the structure was observed with a final structure similar to a hcp lattice under ultra high pressure. No volume discontinuity was observed at the insulator-metal transition. The newly found transition sequence is different from the result of previous static compression studies. The current structure has a smaller unit cell volume than the previous assignment. This has resolved a long existing controversy among the previous static compression studies, the dynamic compression studies, and the theoretical studies. The current results also explain the apparent discrepancy between the present study and the previous static studies. We also present the development of a focusing system for high energy x-rays (> 12 keV) that is particularly suited for high pressure diffraction studies. This system uses a pair of multilayer coated spherical mirrors in a Kirkpatrick-Baez geometry. A focused beam size less than 10 micron in diameter can be readily achieved with sufficient intensity to perform diffraction studies. 93 refs., 46 figs., 15 tabs

  7. GRAPHICAL ANALYSIS OF LAFFER'S THEORY FOR EUROPEAN UNION MEMBER STATES

    Directory of Open Access Journals (Sweden)

    LILIANA BUNESCU

    2013-04-01

    Full Text Available Most times the current situation of one or another country depends on the historical development of own tax system. A practical question of any governance is to determine the optimal taxation rate level, bringing to the state the highest tax revenues. A good place to start is with what is popularly known as the Laffer curve. This paper aims to determine in graphical terms the level where European economies ranks by using Laffer curve based on the data series provided by the European Commission and the World Bank. Graphical analysis of Laffer's theory can emphasize only the positioning on one or another side of point for maximum tax revenues, a position that can influence fiscal policy decisions. Conclusions at European Union level are simple. Value of taxation rate for fiscal optimal point varies from one Member State to another, from 48.9% in Denmark to 28% in Romania, with an average of 37.1% for the EU-27.

  8. 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

  9. [Energy pooling collisions for K(4P) + Cs(5D) in a K-Cs mixture].

    Science.gov (United States)

    Aihemaiti, Pulati; Dai, Kang; Lu, Xin-hong; Shen, Yi-fan

    2005-04-01

    The rate coefficients for energy-pooling collisions K(4P) + Cs(5D) --> Cs(6S) + K(4D, 6S) in the K-Cs vapor mixture were measured relative to a known energy-pooling rate coefficient of a homonuclear reaction [i. e., Cs(6P) + Cs(5D) --> Cs(6S) + Cs (7D(J))]. Populations of the Cs(6P, 5D) and K(4P) states were produced by photodissociation of K2 and Cs2 molecules through the use of a dye laser radiation. The resulting fluorescence included the direct components emitted in the decay of the excited states produced by photodissociation and the induced components arising from the collisionally populated states. By combining relative intensities of the components with the effective lifetimes of Cs(6P) and K(4P) states, the rate coefficients (in units of 10(-9) cm3 x s(-1)) for the heteronuclear energy-pooling were found to be 2.6 and 3.6, respectively. The contribution to the rate coefficients from other processes are discussed.

  10. Single crystal growth, electronic structure and optical properties of Cs2HgBr4

    Science.gov (United States)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

    2015-10-01

    We report on successful synthesis of high-quality single crystal of cesium mercury tetrabromide, Cs2HgBr4, by using the vertical Bridgman-Stockbarger method as well as on studies of its electronic structure. For the Cs2HgBr4 crystal, we have recorded X-ray photoelectron spectra for both pristine and Ar+ ion-bombarded surfaces. Our data indicate that the Cs2HgBr4 single crystal surface is rather sensitive with respect to Ar+ ion-bombardment. In particular, such a treatment of the Cs2HgBr4 single crystal surface alters its elemental stoichiometry. To explore peculiarities of the energy distribution of total and partial densities of states within the valence band and the conduction band of Cs2HgBr4, we have made band-structure calculations based on density functional theory (DFT) employing the augmented plane wave+local orbitals (APW+lo) method as incorporated in the WIEN2k package. The APW+lo calculations allow for concluding that the Br 4p states make the major contributions in the upper portion of the valence band, while its lower portion is dominated by contributors of the Hg 5d and Cs 5p states. Further, the main contributors to the bottom of the conduction band of Cs2HgBr4 are the unoccupied Br p and Hg s states. In addition, main optical characteristics of Cs2HgBr4 such as dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity have been explored from the first-principles band-structure calculations.

  11. 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.

  12. 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

  13. 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.

  14. Thermodynamics of the amalgam cells {l_brace}Cs-amalgam|CsX (m)|AgX|Ag{r_brace} (X=Cl, Br, I) and primary medium effects in (methanol+water) (acetonitrile+water), and (1,4-dioxane+water) solvent mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Falciola, Luigi [Department of Physical Chemistry and Electrochemistry, University of Milan, Via Golgi 19, I-20133 Milan (Italy)]. E-mail: luigi.falciola@unimi.it; Longoni, Giorgio [Department of Physical Chemistry and Electrochemistry, University of Milan, Via Golgi 19, I-20133 Milan (Italy); Mussini, Patrizia R. [Department of Physical Chemistry and Electrochemistry, University of Milan, Via Golgi 19, I-20133 Milan (Italy)]. E-mail: patrizia.mussini@unimi.it; Mussini, Torquato [Department of Physical Chemistry and Electrochemistry, University of Milan, Via Golgi 19, I-20133 Milan (Italy)]. E-mail: torquato.mussini@unimi.it

    2006-06-15

    The potential difference E of the amalgam cell {l_brace}Cs{sub x}Hg{sub 1-x}|CsX (m)|AgX|Ag{r_brace} (X=Cl, Br, I) has been measured as a function of the mole fraction x{sub Cs} of Cs metal in amalgams and of the molality m of CsX in (methanol+water) (acetonitrile+water), and (1,4-dioxane+water) solvent mixtures containing up to 0.75 mass fraction of the organic component, at the temperature 298.15K. The respective standard molal potential differences E{sub m}{sup o} have been determined together with the relevant activity coefficients {gamma}{sub +}/- as functions of the CsX molality. The found E{sub m}{sup o} values show a parabolic decrease with increasing proportion of the organic component in the solvent mixture. Analysis of the relevant primary medium effects upon CsX shows that the CsX transfer from the standard state in water to the standard state in the (aqueous+organic) mixture is always unfavoured, and the acetonitrile is the least unfavoured co-solvent studied. Analysis of the primary medium effect upon CsI in terms of Feakins and French's theory leads to a primary hydration number close to zero, which is consistent with the results of supplementary EXAFS experiments on Cs{sup +} and I{sup -} in (acetonitrile+water) solvent mixtures.

  15. Methodology of the 137 Cs for the soil erosion and deposition determination in a micro basin from the north of Parana State

    International Nuclear Information System (INIS)

    Andrello, Avacir Casanova

    1997-01-01

    The measurement of 137 Cs redistribution in the field allows the determination of soil erosion/accumulation. The 137 Cs activity of soil samples, taken from a small basin at the North of Parana, were measured employing a HPGe gamma ray detector and a standard spectrometric nuclear electronic chain. Standard oil samples with known concentrations of 137 Cs were prepared for the detection efficiency determination. Soil loss or gain was measured at the top, midslope and low slope regions, for six different transects at the investigated small basin. (author)

  16. Concentration in activity of 137 Cs, 40 K, 232 Th, 226 Ra in waste deposits of the benefits of minerals in the State of Zacatecas

    International Nuclear Information System (INIS)

    Leal, B.; Mireles, F.; Quirino, L.; Davila, I.; Ramirez, F.

    2003-01-01

    The necessity to report the changes in the contained radionuclides in the terrestrial crust, or those deposited by the atomic tests around the world, becomes clear when observing the use of material of waste of those mines. With the purpose of quantifying the concentration in activity its were meet a series of waste samples in mines of the municipalities of Zacatecas, Fresnillo, Guadalupe and Veta Grande of the state of Zacatecas, Mexico. The analysis was carried out by gamma spectrometry with a HPGe detector with a resolution of 1.9 keV corresponding to an energy of 1.33 MeV calibrated in efficiency and energy by means of a certified standard multi nuclide in activity with identical geometry to that of the samples. The times of count are of 80000 seconds, with the purpose of to reduce the relative uncertainties and to define well the interest regions. The activity of 226 Ra and 232 Th is obtained through the one 214 Bi and 228 Ac respectively, the concentration was also measured in activity of the one 40 K and the 137 Cs in units of Bq kg -1 . (Author)

  17. 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.

  18. 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.

  19. 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

  20. Quantum state-resolved, bulk gas energetics: Comparison of theory and experiment

    Energy Technology Data Exchange (ETDEWEB)

    McCaffery, Anthony J., E-mail: A.J.McCaffery@sussex.ac.uk [Department of Chemistry, University of Sussex, Brighton, Sussex BN1 6SJ (United Kingdom)

    2016-05-21

    Until very recently, the computational model of state-to-state energy transfer in large gas mixtures, introduced by the author and co-workers, has had little experimental data with which to assess the accuracy of its predictions. In a novel experiment, Alghazi et al. [Chem. Phys. 448, 76 (2015)] followed the equilibration of highly vibrationally excited CsH(D) in baths of H{sub 2}(D{sub 2}) with simultaneous time- and quantum state-resolution. Modal temperatures of vibration, rotation, and translation for CsH(D) were obtained and presented as a function of pump-probe delay time. Here the data from this study are used as a test of the accuracy of the computational method, and in addition, the consequent changes in bath gas modal temperatures, not obtainable in the experiment, are predicted. Despite large discrepancies between initial CsH(D) vibrational states in the experiment and those available using the computational model, the quality of agreement is sufficient to conclude that the model’s predictions constitute at least a very good representation of the overall equilibration that, for some measurements, is very accurate.

  1. Validation of a CATHENA fuel channel model for the post blowdown analysis of the high temperature thermal-chemical experiment CS28-1, I - Steady state

    International Nuclear Information System (INIS)

    Rhee, Bo Wook; Kim, Hyoung Tae; Park, Joo Hwan

    2008-01-01

    To form a licensing basis for the new methodology of the fuel channel safety analysis code system for CANDU-6, a CATHENA model for the post-blowdown fuel channel analysis for a Large Break LOCA has been developed, and tested for the steady state of a high temperature thermal-chemical experiment CS28-1. As the major concerns of the post-blowdown fuel channel analysis of the current CANDU-6 design are how much of the decay heat can be discharged to the moderator via a radiation and a convective heat transfer at the expected accident conditions, and how much zirconium sheath would be oxidized to generate H 2 at how high a fuel temperature, this study has focused on understanding these phenomena, their interrelations, and a way to maintain a good accuracy in the prediction of the fuel and the pressure tube temperatures without losing the important physics of the involved phenomena throughout the post-blowdown phase of a LBLOCA. For a better prediction, those factors that may significantly contribute to the prediction accuracy of the steady state of the test bundles were sought. The result shows that once the pressure tube temperature is predicted correctly by the CATHENA heat transfer model between the pressure tube and the calandria tube through a gap thermal resistance adjustment, all the remaining temperatures of the inner ring, middle ring and outer ring FES temperatures can be predicted quite satisfactorily, say to within an accuracy range of 20-25 deg. C, which is comparable to the reported accuracy of the temperature measurement, ±2%. Also the analysis shows the choice of the emissivity of the solid structures (typically, 0.80, 0.34, 0.34 for FES, PT, CT), and the thermal resistance across the CO 2 annulus are factors that significantly affect the steady state prediction accuracy. A question on the legitimacy of using 'transparent' assumption for the CO 2 gas annulus for the radiation heat transfer between the pressure tube and the calandria tube in CATHENA

  2. Sleep-Wake State Tradeoffs, Impulsivity and Life History Theory

    Directory of Open Access Journals (Sweden)

    Alissa A. Miller

    2012-04-01

    Full Text Available Evolutionary ecological theory predicts that sleep-wake state tradeoffs may be related to local environmental conditions and should therefore correlate to alterations in behavioral life history strategies. It was predicted that firefighters who slept more and reported better quality sleep on average would exhibit lower impulsivity inclinations related to slower life history trajectories. UPPS impulsivity scores and self-reported sleep averages were analyzed and indicated a negative association between sleep variables and urgency and a positive association with premeditation. Perseverance, and in some cases premeditation, however, disclosed an unpredicted marginally significant positive association between increased and emergency nighttime waking-related sleep deprivation. Sensation seeking was not associated with sleep variables, but was strongly associated with number of biological children. This research contributes to understanding the implications of human sleep across ecological and behavioral contexts and implies further research is necessary for constructing evolutionarily oriented measures of impulsivity inclination and its meaning in the context of life history strategies.

  3. Biological effects of 137Cs, incorporated into organism of rats

    International Nuclear Information System (INIS)

    Monakhov, A.S.; Strekalov, S.A.; Sokolov, A.V.; Aver'yanova, T.K.

    1987-01-01

    Results of investigating mutagenous and hemotoxic effects of 137 Cs on blood lymphocytes of rats are presented. 137 Cs was orally administrated into organism of rats as 270 kBq/g chloride solution. 137 Cs mutagenous effect was studied on metaphase plates of rat blood lymphocytes in course of rats lifetime experiment. It is stated that 137 Cs inducing severe disturbances of genetic material in a great quantity of blood lymphocytes, causes their total killing

  4. Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

    Science.gov (United States)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Myronchuk, G. L.; Khvyshchun, M.; Fedorchuk, A. O.; Parasyuk, O. V.; Khyzhun, O. Y.

    2015-04-01

    High-quality single crystal of cesium mercury tetraiodide, Cs2HgI4, has been synthesized by the vertical Bridgman-Stockbarger method and its crystal structure has been refined. In addition, electronic structure and optical properties of Cs2HgI4 have been studied. For the crystal under study, X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces have been measured. The present X-ray photoelectron spectroscopy (XPS) results indicate that the Cs2HgI4 single crystal surface is very sensitive with respect to Ar+ ion-irradiation. In particular, Ar+ bombardment of the single crystal surface alters the elemental stoichiometry of the Cs2HgI4 surface. To elucidate peculiarities of the energy distribution of the electronic states within the valence-band and conduction-band regions of the Cs2HgI4 compound, we have performed first-principles band-structure calculations based on density functional theory (DFT) as incorporated in the WIEN2k package. Total and partial densities of states for Cs2HgI4 have been calculated. The DFT calculations reveal that the I p states make the major contributions in the upper portion of the valence band, while the Hg d, Cs p and I s states are the dominant contributors in its lower portion. Temperature dependence of the light absorption coefficient and specific electrical conductivity has been explored for Cs2HgI4 in the temperature range of 77-300 K. Main optical characteristics of the Cs2HgI4 compound have been elucidated by the first-principles calculations.

  5. Traffic Flow Theory - A State-of-the-Art Report: Revised Monograph on Traffic Flow Theory

    Science.gov (United States)

    2002-04-13

    This publication is an update and expansion of the Transportation Research Board (TRB) Special Report 165, "Traffic Flow Theory," published in 1975. This updating was undertaken on recommendation of the TRB's Committee on Traffic Flow Theory and Char...

  6. The Godparent Plan: A Pedagogical Strategy for CS1 Accompaniment and CS2 Pedagogical Enhancement

    Directory of Open Access Journals (Sweden)

    Pedro Guillermo Feijóo-García

    2018-02-01

    Full Text Available Courses such as CS1 and CS2 can present an interesting pedagogical challenge when it comes to the theory-practice relationship, along with aspects that involve the course's logistics, the programming language used, and the characteristics of the students involved in the process. This study presents an innovative didactic approach, oriented towards the accompaniment of CS1 students by CS2 students at Universidad El Bosque, Colombia, seeking with this Godparent Plan, to provide a personalized accompaniment to first semester students, whereby CS2 students enhance their domain over concepts and skills while accompanying, explaining and teaching younger peers. The results of this study are favorable, outlining a didactic scheme that can be adapted and replicated in other curricular scenarios.

  7. Improving CS regulations.

    Energy Technology Data Exchange (ETDEWEB)

    Nesse, R.J.; Scheer, R.M.; Marasco, A.L.; Furey, R.

    1980-10-01

    President Carter issued Executive Order 12044 (3/28/78) that required all Federal agencies to distinguish between significant and insignificant regulations, and to determine whether a regulation will result in major impacts. This study gathered information on the impact of the order and the guidelines on the Office of Conservation and Solar Energy (CS) regulatory practices, investigated problems encountered by the CS staff when implementing the order and guidelines, and recommended solutions to resolve these problems. Major tasks accomplished and discussed are: (1) legislation, Executive Orders, and DOE Memoranda concerning Federal administrative procedures relevant to the development and analysis of regulations within CS reviewed; (2) relevant DOE Orders and Memoranda analyzed and key DOE and CS staff interviewed in order to accurately describe the current CS regulatory process; (3) DOE staff from the Office of the General Counsel, the Office of Policy and Evaluation, the Office of the Environment, and the Office of the Secretary interviewed to explore issues and problems encountered with current CS regulatory practices; (4) the regulatory processes at five other Federal agencies reviewed in order to see how other agencies have approached the regulatory process, dealt with specific regulatory problems, and responded to the Executive Order; and (5) based on the results of the preceding four tasks, recommendations for potential solutions to the CS regulatory problems developed. (MCW)

  8. Stabilizing photoassociated Cs2 molecules by optimal control

    International Nuclear Information System (INIS)

    Zhang Wei; Xie Ting; Huang Yin; Wang Gao-Ren; Cong Shu-Lin

    2013-01-01

    We demonstrate theoretically that photoassociated molecules can be stabilized to deeply bound states. This process is achieved by transferring the population from the outer well to the inner well using the optimal control theory, the Cs 2 molecule is taken as an example. Numerical calculations show that weakly bound molecules formed in the outer well by a pump pulse can be compressed to the inner well via a vibrational level of the ground electronic state as an intermediary by an additionally optimized laser pulse. The positively chirped pulse can enhance the population of the target state. With a transform-limited dump pulse, nearly all the photoassociated molecules in the inner well of the excited electronic state can be transferred to the deeply vibrational level of the ground electronic state. (atomic and molecular physics)

  9. Stabilizing photoassociated Cs2 molecules by optimal control

    Science.gov (United States)

    Zhang, Wei; Xie, Ting; Huang, Yin; Wang, Gao-Ren; Cong, Shu-Lin

    2013-01-01

    We demonstrate theoretically that photoassociated molecules can be stabilized to deeply bound states. This process is achieved by transferring the population from the outer well to the inner well using the optimal control theory, the Cs2 molecule is taken as an example. Numerical calculations show that weakly bound molecules formed in the outer well by a pump pulse can be compressed to the inner well via a vibrational level of the ground electronic state as an intermediary by an additionally optimized laser pulse. The positively chirped pulse can enhance the population of the target state. With a transform-limited dump pulse, nearly all the photoassociated molecules in the inner well of the excited electronic state can be transferred to the deeply vibrational level of the ground electronic state.

  10. 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

  11. Semi-analytical quasi-normal mode theory for the local density of states in coupled photonic crystal cavity-waveguide structures

    DEFF Research Database (Denmark)

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper

    2015-01-01

    We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, ......-trivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.......We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained......, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities a non...

  12. CS Bond formation by

    Indian Academy of Sciences (India)

    2017-02-02

    Feb 2, 2017 ... a thiol substituent at position-2 of the quinazoline ring. ... coupling reactions represent great contribution to the recent growth of organic synthesis.2 ... Difficulties in C-S ...... Experimental Advances (Amsterdam: Elsevier) 19; (b).

  13. Quantum field theory and the internal states of elementary particles

    CSIR Research Space (South Africa)

    Greben, JM

    2011-01-01

    Full Text Available A new application of quantum field theory is developed that gives a description of the internal dynamics of dressed elementary particles and predicts their masses. The fermionic and bosonic quantum fields are treated as interdependent fields...

  14. Phenomenological Theory for Pseudogap States in High Tc Cuprate

    Directory of Open Access Journals (Sweden)

    Zhang Fuchun

    2012-03-01

    Full Text Available Pseudogap phase in the underdoped region of high-Tc cuprate is one of the challenging issues in condensed matter physics. In this talk, I will describe a phenomenological theory for this phase, based on analogies to the approach to Mott localization at weak coupling in lower dimensional systems. I will make comparisons of the theory to a series of the experiments, including angle resolved photoemission spectroscope, scanning tunneling microscope.

  15. 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...

  16. 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.

  17. Primate theory of mind: a state of the art review

    DEFF Research Database (Denmark)

    Byrnit, Jill

    2006-01-01

    -cognitive evner og siden Premack & Woodruff (1978) for første gang introducerede begrebet "theory of mind", er der blevet foretaget mange laboratorie-forsøg om mennesker og andre primaters evne til at attribuere mentale tilstande til andre. I nærværende artikel er størstedelen af disse forsøg med andre primater...

  18. 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...

  19. On the ground state of Yang-Mills theory

    International Nuclear Information System (INIS)

    Bakry, Ahmed S.; Leinweber, Derek B.; Williams, Anthony G.

    2011-01-01

    Highlights: → The ground state overlap for sets of meson potential trial states is measured. → Non-uniform gluonic distributions are probed via Wilson loop operator. → The locally UV-regulated flux-tube operators can optimize the ground state overlap. - Abstract: We investigate the overlap of the ground state meson potential with sets of mesonic-trial wave functions corresponding to different gluonic distributions. We probe the transverse structure of the flux tube through the creation of non-uniform smearing profiles for the string of glue connecting two color sources in Wilson loop operator. The non-uniformly UV-regulated flux-tube operators are found to optimize the overlap with the ground state and display interesting features in the ground state overlap.

  20. What Should Be the Roles of Conscious States and Brain States in Theories of Mental Activity?**

    Science.gov (United States)

    Dulany, Donelson E.

    2011-01-01

    Answers to the title’s question have been influenced by a history in which an early science of consciousness was rejected by behaviourists on the argument that this entails commitment to ontological dualism and “free will” in the sense of indeterminism. This is, however, a confusion of theoretical assertions with metaphysical assertions. Nevertheless, a legacy within computational and information-processing views of mind rejects or de-emphasises a role for consciousness. This paper sketches a mentalistic metatheory in which conscious states are the sole carriers of symbolic representations, and thus have a central role in the explanation of mental activity and action-while specifying determinism and materialism as useful working assumptions. A mentalistic theory of causal learning, experimentally examined with phenomenal reports, is followed by examination of these questions: Are there common roles for phenomenal reports and brain imaging? Is there defensible evidence for unconscious brain states carrying symbolic representations? Are there interesting dissociations within consciousness? PMID:21694964

  1. On the ground state of Yang-Mills theory

    OpenAIRE

    Bakry, Ahmed S.; Leinweber, Derek B.; Williams, Anthony G.

    2011-01-01

    We investigate the overlap of the ground state meson potential with sets of mesonic-trial wave functions corresponding to different gluonic distributions. We probe the transverse structure of the flux tube through the creation of non-uniform smearing profiles for the string of glue connecting two color sources in Wilson loop operator. The non-uniformly UV-regulated flux-tube operators are found to optimize the overlap with the ground state and display interesting features in the ground state ...

  2. Theory of Multipartite Entanglement for X-States

    Science.gov (United States)

    2015-04-29

    Greenberger-Horne- Zeilinger (GHZ) state [9] and we explain below an approximation that reduces their density matrix to an X-state for all times. X-states...Blatt, Phys. Rev. Lett. 106, 130506 (2011). [9] D. Bouwmeester, J.-W. Pan, M. Daniell, H. Weinfurter, and A. Zeilinger , Phys. Rev. Lett. 82, 1345...Gasparoni, R. Ursin, G. Weihs, and A. Zeilinger , Nature (2003). [88] R. Dong, M. Lassen, J. Heersink, C. Marquardt, R. Filip, G. Leuchs, and U. L. Andersen

  3. STATE AND ECONOMY IN BOURGEOISIES ECONOMIC THEORIES: A CRITICAL APPROACH

    Directory of Open Access Journals (Sweden)

    Verena Hernández-Pérez

    2016-01-01

    Full Text Available The issue of state-economy relationship has been present throughout the history of bourgeois economic thought. In the bourgeois liberal tradition the distinction between civil society and state has been presented as total and necessary, reserving to the first one the monopoly of economic activity, based on the principle of self-regulating market. From Keynes bourgeois economists were divided into two sides, one side those who still deny the state capacity to intervene right in the economy, and the other those who recognize the need for their participation. This paper proposes a critical approach to the major bourgeois theoretical positions on the relationship state-economy. 

  4. Theories of the nuclear ground state beyond Hartree-Fock

    International Nuclear Information System (INIS)

    Gogny, D.

    1979-01-01

    Intensive efforts have been invested toward defining a microscopic approach, simple enough to render feasible systematic calculations of nuclear structure and of the some time sufficiently rich in information as to serve for updating traditional microscopic approaches to the collective excitations. Our starting point is the mean field approximation with density dependent effective forces. To describe the collective excitations we use the two well known extensions based on the H.F. theory namely the random phase approximation and the adiabatic approximation to the time dependent Hartree-Fock theory. The purpose of this paper is to show what sort of calculations can be effectively carried out in the frame of such fully self consistent approaches. (KBE) 891 KBE/KBE 892 ARA

  5. The construction of optimal stated choice experiments theory and methods

    CERN Document Server

    Street, Deborah J

    2007-01-01

    The most comprehensive and applied discussion of stated choice experiment constructions available The Construction of Optimal Stated Choice Experiments provides an accessible introduction to the construction methods needed to create the best possible designs for use in modeling decision-making. Many aspects of the design of a generic stated choice experiment are independent of its area of application, and until now there has been no single book describing these constructions. This book begins with a brief description of the various areas where stated choice experiments are applicable, including marketing and health economics, transportation, environmental resource economics, and public welfare analysis. The authors focus on recent research results on the construction of optimal and near-optimal choice experiments and conclude with guidelines and insight on how to properly implement these results. Features of the book include: Construction of generic stated choice experiments for the estimation of main effects...

  6. Quasi-freestanding graphene on Ni(111) by Cs intercalation

    KAUST Repository

    Alattas, Maha Hassan Mohssen; Schwingenschlö gl, Udo

    2016-01-01

    A possible approach to achieve quasi-freestanding graphene on a substrate for technological purpose is the intercalation of alkali metal atoms. Cs intercalation between graphene and Ni(111) therefore is investigated using density functional theory

  7. Quasi-freestanding graphene on Ni(111) by Cs intercalation

    KAUST Repository

    Alattas, Maha Hassan Mohssen; Schwingenschlö gl, Udo

    2017-01-01

    It is of technological interest to achieve quasi-freestanding graphene on a substrate. A possible approach is the intercalation of alkali metal atoms. Cs intercalation between graphene and Ni(111) is investigated using density functional theory

  8. On the ground state of Yang-Mills theory

    Science.gov (United States)

    Bakry, Ahmed S.; Leinweber, Derek B.; Williams, Anthony G.

    2011-08-01

    We investigate the overlap of the ground state meson potential with sets of mesonic-trial wave functions corresponding to different gluonic distributions. We probe the transverse structure of the flux tube through the creation of non-uniform smearing profiles for the string of glue connecting two color sources in Wilson loop operator. The non-uniformly UV-regulated flux-tube operators are found to optimize the overlap with the ground state and display interesting features in the ground state overlap.

  9. Theory and practice of dressed coherent states in circuit QED

    Energy Technology Data Exchange (ETDEWEB)

    Wilhelm, Frank [Theoretical Physics, Saarland University, Campus E 2.6, 66123 Saarbruecken (Germany); Govia, Luke C.G. [Theoretical Physics, Saarland University, Campus E 2.6, 66123 Saarbruecken (Germany); Department of Physics, McGill University, Montreal (Canada)

    2016-07-01

    In the dispersive regime of qubit-cavity coupling, classical cavity drive populates the cavity, but leaves the qubit state unaffected. However, the dispersive Hamiltonian is derived after both a frame transformation and an approximation. Therefore, to connect to external experimental devices, the inverse frame transformation from the dispersive frame back to the lab frame is necessary. We show that in the lab frame the system is best described by an entangled state known as the dressed coherent state, and thus even in the dispersive regime, entanglement is generated between the qubit and the cavity. Also, we show that further qubit evolution depends on both the amplitude and phase of the dressed coherent state. This provides a limitation to readout in the dispersive regime. We show that only in the limit of infinite measurement time is this protocol QND, as the formation of a dressed coherent state in the qubit-cavity system applies an effective rotation to the qubit state. We show how this rotation can be corrected by a unitary operation, leading to improved qubit initialization by measurement and unitary feedback.

  10. Solid-State Physics Introduction to the Theory

    CERN Document Server

    Patterson, James

    2010-01-01

    Learning Solid State Physics involves a certain degree of maturity, since it involves tying together diverse concepts from many areas of physics. The objective is to understand, in a basic way, how solid materials behave. To do this one needs both a good physical and mathematical background. One definition of Solid State Physics is it is the study of the physical (e.g. the electrical, dielectric, magnetic, elastic, and thermal) properties of solids in terms of basic physical laws. In one sense, Solid State Physics is more like chemistry than some other branches of physics because it focuses on common properties of large classes of materials. It is typical that Solid State Physics emphasizes how physics properties link to electronic structure. We have retained the term Solid Modern solid state physics came of age in the late thirties and forties and is now is part of condensed matter physics which includes liquids, soft materials, and non-crystalline solids. This solid state/condensed matter physics book begin...

  11. Equilibrium states and the ergodic theory of Anosov diffeomorphisms

    CERN Document Server

    2008-01-01

    For this printing of R. Bowen's book, J.-R. Chazottes has retyped it in TeX for easier reading, thereby correcting typos and bibliographic details. From the Preface by D. Ruelle: "Rufus Bowen has left us a masterpiece of mathematical exposition... Here a number of results which were new at the time are presented in such a clear and lucid style that Bowen's monograph immediately became a classic. More than thirty years later, many new results have been proved in this area, but the volume is as useful as ever because it remains the best introduction to the basics of the ergodic theory of hyperbolic systems."

  12. Theory of constraints: A state-of-art review

    Directory of Open Access Journals (Sweden)

    Maryam Orouji

    2015-11-01

    Full Text Available The theory of constraints (TOC is a management tool, which considers any manageable system as being limited in reaching more of its objectives by some constraints. According to TOC, there is always, at least, one single constraint, and TOC implements a concentrating process to detect the constraint and restructure the remaining of the organization around it. This paper presents an overview of different perspectives of TOC and its implementation in different industries such as project management, quality management, outsourcing, product mix, make-to-buy, accounting, banking and health care, etc. The results indicate that the method has been extensively implemented in different areas of accounting.

  13. 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 ...

  14. 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

  15. 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)

  16. Bound state quantum field theory application to atoms and ions

    CERN Document Server

    Sapirstein, Jonathan

    2019-01-01

    Two aspects of the book should appeal to a wide audience. One aspect would be the comprehensive coverage on the latest updates and developments this book provides, besides Bethe and Salpeter's handbook on hydrogen and helium, which is still widely regarded as useful. The other aspect would be that a major part of the book uses “effective field theory”, a way of including quantum electrodynamics (QED) that starts with the familiar Schrödinger equation, and then adds perturbing operators derived in a rather simple manner that incorporates QED. Effective field theory is used in a number of fields including particle physics and nuclear physics, and readership is targeted at these communities too.Additionally, students using this book in conjunction with Peskin's textbook could learn to carry out fairly sophisticated calculations in QED in order to learn the technique, as this book comes with practical calculations.Also included is a very clear exposition of the Bethe–Salpeter equation, which is simply either ...

  17. Usefulness of bound-state approximations in reaction theory

    International Nuclear Information System (INIS)

    Adhikari, S.K.

    1981-01-01

    A bound-state approximation when applied to certain operators, such as the many-body resolvent operator for a two-body fragmentation channel, in many-body scattering equations, reduces such equations to equivalent two-body scattering equations which are supposed to provide a good description of the underlying physical process. In this paper we test several variants of bound-state approximations in the soluble three-boson Amado model and find that such approximations lead to weak and unacceptable kernels for the equivalent two-body scattering equations and hence to a poor description of the underlying many-body process

  18. Composite fermion theory for bosonic quantum Hall states on lattices.

    Science.gov (United States)

    Möller, G; Cooper, N R

    2009-09-04

    We study the ground states of the Bose-Hubbard model in a uniform magnetic field, motivated by the physics of cold atomic gases on lattices at high vortex density. Mapping the bosons to composite fermions (CF) leads to the prediction of quantum Hall fluids that have no counterpart in the continuum. We construct trial states for these phases and test numerically the predictions of the CF model. We establish the existence of strongly correlated phases beyond those in the continuum limit and provide evidence for a wider scope of the composite fermion approach beyond its application to the lowest Landau level.

  19. Kohn-Sham Theory for Ground-State Ensembles

    International Nuclear Information System (INIS)

    Ullrich, C. A.; Kohn, W.

    2001-01-01

    An electron density distribution n(r) which can be represented by that of a single-determinant ground state of noninteracting electrons in an external potential v(r) is called pure-state v -representable (P-VR). Most physical electronic systems are P-VR. Systems which require a weighted sum of several such determinants to represent their density are called ensemble v -representable (E-VR). This paper develops formal Kohn-Sham equations for E-VR physical systems, using the appropriate coupling constant integration. It also derives local density- and generalized gradient approximations, and conditions and corrections specific to ensembles

  20. Contemporary prophetic preaching theory in the United States of ...

    African Journals Online (AJOL)

    In this article two homileticians – one from the United States of America (USA) and one from South Africa (SA) − enter into a dialog regarding how the task of prophetic preaching today might be revived, reframed and redefined in light of the Reformation principle of the viva vox Evangelii [living voice of the gospel].

  1. Calculation of inelastic cross sections for H+ + Cs → H(n=2) + Cs+

    International Nuclear Information System (INIS)

    Valance, A.; Spiess, G.

    1975-01-01

    The cross sections for the processes H + +Cs → H(2p and 2s) +Cs + were calculated in the center of mass energy range 250--2400 eV using a simple pseudopotential formalism for the potential curves and coupling matrix elements and a perturbed stationary state (pss) formulation for the calculation of the cross sections. The results are found to be in reasonable agreement with experiment. (auth)

  2. The pCS20 PCR assay for Ehrlichia ruminantium does not cross-react with the novel deer ehrlichial agent found in white-tailed deer in the United States of America

    Directory of Open Access Journals (Sweden)

    S.M. Mahan

    2004-11-01

    Full Text Available White-tailed deer are susceptible to heartwater (Ehrlichia [Cowdria] ruminantium infection and are likely to suffer high mortality if the disease spreads to the United States. It is vital, therefore, to validate a highly specific and sensitive detection method for E. ruminantium infection that can be reliably used in testing white-tailed deer, which are reservoirs of antigenically or genetically related agents such as Ehrlichia chaffeensis, Anaplasma (Ehrlichia phagocytophilum (HGE agent and Ehrlichia ewingii. Recently, a novel but as yet unnamed ehrlichial species, the white-tailed deer ehrlichia (WTDE, has been discovered in deer populations in the United States. Although the significance of WTDE as a pathogen is unknown at present, it can be distinguished from other Ehrlichia spp. based on 16S rRNA gene sequence analysis. In this study it was differentiated from E. ruminantium by the use of the pCS20 PCR assay which has high specificity and sensitivity for the detection of E. ruminantium. This assay did not amplify DNA from the WTDE DNA samples isolated from deer resident in Florida, Georgia and Missouri, but amplified the specific 279 bp fragment from E. ruminantium DNA. The specificity of the pCS20 PCR assay for E. ruminantium was confirmed by Southern hybridization. Similarly, the 16S PCR primers (nested that amplify a specific 405-412 bp fragment from the WTDE DNA samples, did not amplify any product from E. ruminantium DNA. This result demonstrates that it would be possible to differentiate between E. ruminantium and the novel WTDE agent found in white tailed deer by applying the two respective PCR assays followed by Southern hybridizations. Since the pCS20 PCR assay also does not amplify any DNA products from E. chaffeensis or Ehrlichia canis DNA, it is therefore the method of choice for the detection of E. ruminantium in these deer and other animal hosts.

  3. Theory of minimum dissipation of energy for the steady state

    International Nuclear Information System (INIS)

    Chu, T.K.

    1992-02-01

    The magnetic configuration of an inductively driven steady-state plasma bounded by a surface (or two adjacent surfaces) on which B·n = 0 is force-free: ∇xB = 2αB, where α is a constant, in time and in space. α is the ratio of the Poynting flux to the magnetic helicity flux at the boundary. It is also the ratio of the dissipative rates of the magnetic energy to the magnetic helicity in the plasma. The spatial extent of the configuration is noninfinitesimal. This global constraint is a result of the requirement that, for a steady-state plasma, the rate of change of the vector potential, ∂A/∂t, is constant in time and uniform in space

  4. Syntheses, crystal structure, and electronic properties of the five ABaMQ{sub 4} compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Mesbah, Adel [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); ICSM, UMR 5257 CEA / CNRS / UM / ENSCM, Site de Marcoule-Bâtiment 426, BP 17171, 30207 Bagnols-sur-Cèze Cedex (France); Prakash, Jai [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); Rocca, Dario; Lebègue, Sébastien [Laboratoire de Cristallographie, Résonance Magnétique, et Modélisations CRM2 (UMR UHP-CNRS 7036), Faculté des Sciences et Techniques, Université de Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy Cedex (France); Beard, Jessica C.; Lewis, Benjamin A. [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); Ibers, James A., E-mail: ibers@chem.northwestern.edu [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States)

    2016-01-15

    Five new compounds belonging to the ABaMQ{sub 4} family were synthesized by solid-state chemistry at 1123 K. The compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} are isostructural and have the TlEuPS{sub 4} structure type. They crystallize in space group D{sup 16}{sub 2h} – Pnma of the orthorhombic system. Their structure consists isolated MQ{sub 4} tetrahedra separated by A and Ba atoms to form a salt-like structure. Density Functional Theory (DFT) calculations of the electronic structures with the use of the HSE functional suggest that the compounds are semiconductors with calculated band gaps of 3.3 eV (RbBaPS{sub 4}), 3.4 eV (CsBaPS{sub 4}), 2.3 eV (CsBaVS{sub 4}), and 1.6 eV (RbBaVSe{sub 4}). - Graphical abstract: General view of the ABaMQ{sub 4} structure down the a axis. - Highlights: • Five new ABaMQ{sub 4} compounds were synthesized by solid-state chemistry at 1123 K. • RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} have the TlEuPS{sub 4} structure type. • The compounds are semiconductors with calculated band gaps ranging from 1.6 to 3.4 eV.

  5. Theory of Spin States of Quantum Dot Molecules

    Science.gov (United States)

    Ponomarev, I. V.; Reinecke, T. L.; Scheibner, M.; Stinaff, E. A.; Bracker, A. S.; Doty, M. F.; Gammon, D.; Korenev, V. L.

    2007-04-01

    The photoluminescence spectrum of an asymmetric pair of coupled InAs quantum dots in an applied electric field shows a rich pattern of level anticrossings, crossings and fine structure that can be understood as a superposition of charge and spin configurations. We present a theoretical model that provides a description of the energy positions and intensities of the optical transitions in exciton, biexciton and charged exciton states of coupled quantum dots molecules.

  6. Theory of Magnetic Edge States in Chiral Graphene Nanoribbons

    Science.gov (United States)

    Capaz, Rodrigo; Yazyev, Oleg; Louie, Steven

    2011-03-01

    Using a model Hamiltonian approach including electron Coulomb interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is an intrinsic feature of any smooth graphene nanoribbons with chiral edges, and discover a number of structure-property relations. Specifically, we describe how the edge-state energy gap, zone-boundary edge-state energy splitting, and magnetic moment per edge length depend on the nanoribbon width and chiral angle. The role of environmental screening effects is also studied. Our results address a recent experimental observation of signatures of magnetic ordering at smooth edges of chiral graphene nanoribbons and provide an avenue towards tuning their properties via the structural and environmental degrees of freedom. This work was supported by National Science Foundation Grant No. DMR10-1006184, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and the ONR MURI program. RBC acknowledges financial support from Brazilian agencies CNPq, FAPERJ and INCT-Nanomateriais de Carbono.

  7. Hybridization of Single Nanocrystals of Cs4PbBr6 and CsPbBr3.

    Science.gov (United States)

    Weerd, Chris de; Lin, Junhao; Gomez, Leyre; Fujiwara, Yasufumi; Suenaga, Kazutomo; Gregorkiewicz, Tom

    2017-09-07

    Nanocrystals of all-inorganic cesium lead halide perovskites (CsPbX 3 , X = Cl, Br, I) feature high absorption and efficient narrow-band emission which renders them promising for future generation of photovoltaic and optoelectronic devices. Colloidal ensembles of these nanocrystals can be conveniently prepared by chemical synthesis. However, in the case of CsPbBr 3 , its synthesis can also yield nanocrystals of Cs 4 PbBr 6 and the properties of the two are easily confused. Here, we investigate in detail the optical characteristics of simultaneously synthesized green-emitting CsPbBr 3 and insulating Cs 4 PbBr 6 nanocrystals. We demonstrate that, in this case, the two materials inevitably hybridize, forming nanoparticles with a spherical shape. The actual amount of these Cs 4 PbBr 6 nanocrystals and nanohybrids increases for synthesis at lower temperatures, i.e., the condition typically used for the development of perovskite CsPbBr 3 nanocrystals with smaller sizes. We use state-of-the-art electron energy loss spectroscopy to characterize nanoparticles at the single object level. This method allows distinguishing between optical characteristics of a pure Cs 4 PbBr 6 and CsPbBr 3 nanocrystal and their nanohybrid. In this way, we resolve some of the recent misconceptions concerning possible visible absorption and emission of Cs 4 PbBr 6 . Our method provides detailed structural characterization, and combined with modeling, we conclusively identify the nanospheres as CsPbBr 3 /Cs 4 PbBr 6 hybrids. We show that the two phases are independent of each other's presence and merge symbiotically. Herein, the optical characteristics of the parent materials are preserved, allowing for an increased absorption in the UV due to Cs 4 PbBr 6 , accompanied by the distinctive efficient green emission resulting from CsPbBr 3 .

  8. Solid state nuclear track detection : theory and applications

    International Nuclear Information System (INIS)

    Bhagwat, A.M.

    1993-01-01

    Solid state nuclear track detection (SSNTD) technique is simple and inexpensive in nature. The two main steps involved in SSNTD are the formation of latent tracks and their subsequent development (visualisation) by chemical or other means. These are discussed in detail. Applications of SSNTD in the fields of nuclear physics, dosimetry, biology and for determination of contents of an element and its spatial distribution are described. The monograph is intended to serve both beginners and specialists. It also gives a list of simple experiments that can be conveniently introduced at the undergraduate/postgraduate level. (M.G.B.). 20 refs., 8 figs., 3 tabs

  9. 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

  10. 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.)

  11. Molecular CsF 5 and CsF 2 +

    KAUST Repository

    Rogachev, Andrey Yu.; Miao, Mao-sheng; Merino, Gabriel; Hoffmann, Roald

    2015-01-01

    D5h star-like CsF5, formally isoelectronic with known XeF5− ion, is computed to be a local minimum on the potential energy surface of CsF5, surrounded by reasonably large activation energies for its exothermic decomposition to CsF+2 F2, or to CsF3 (three isomeric forms)+F2, or for rearrangement to a significantly more stable isomer, a classical Cs+ complex of F5−. Similarly the CsF2+ ion is computed to be metastable in two isomeric forms. In the more symmetrical structures of these molecules there is definite involvement in bonding of the formally core 5p levels of Cs.

  12. Molecular CsF 5 and CsF 2 +

    KAUST Repository

    Rogachev, Andrey Yu.

    2015-06-03

    D5h star-like CsF5, formally isoelectronic with known XeF5− ion, is computed to be a local minimum on the potential energy surface of CsF5, surrounded by reasonably large activation energies for its exothermic decomposition to CsF+2 F2, or to CsF3 (three isomeric forms)+F2, or for rearrangement to a significantly more stable isomer, a classical Cs+ complex of F5−. Similarly the CsF2+ ion is computed to be metastable in two isomeric forms. In the more symmetrical structures of these molecules there is definite involvement in bonding of the formally core 5p levels of Cs.

  13. 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.

  14. 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

  15. A Discussion of Change Theory, System Theory, and State Designed Standards and Accountability Initiatives.

    Science.gov (United States)

    McNeal, Larry; Christy, W. Keith

    This brief paper is a presentation that preceeded another case of considering the ongoing dialogue on the advantages and disadvantages of centralized and decentralized school-improvement processes. It attempts to raise a number of questions about the relationship between state-designed standards and accountability initiatives and change and…

  16. Magnetic correlations in CsVBr3

    International Nuclear Information System (INIS)

    Itoh, Shinichi; Kakurai, Kazuhisa; Endoh, Yasuo

    2001-01-01

    The static magnetic correlation function, S(q), in and S=3/2, one-dimensional Heisenberg antiferromagnet, CsVBr 3 , was measured at temperatures between 40 K and 200 K above the three-dimensional ordering temperature (T N =20.3 K), on a chopper spectrometer install at a pulsed neutron source. The observed S(q) was well fitted to a Lorentzian function convoluted with the instrumental resolution function. The inverse correlation length, κ(T), determined as a half width of the correlation function, showed a linear temperature dependence in the observed temperature range, and, qualitatively well agreed with classical theory. This is consistent with current theory, also, with κ(T) reported for a similar system, CsVCl 3 . (author)

  17. Soil fertility and {sup 137} Cs redistribution as related to land use, landscape and texture in a watershed of Paraiba State; Fertilidade do solo e redistribuicao de {sup 137} Cs em funcao da cobertura vegetal, relevo, e classes texturais, em uma microbacia hidrografica do Estado da Paraiba

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Antonio Clementino dos

    2004-03-15

    Intensive land use and growing deforestation of the natural vegetation in Northeastern Brazil have contributed to the degradation of resources, particularly the decrease of soil fertility. As a result, biodiversity and ecosystem capacity to restore its resources after disturbances have been diminished. The decrease in soil fertility is more substantial in areas dominated by an undulating topography. In these areas, erosion is intensified when crops or pasture replaces natural vegetation. Even though degradation processes are reflected in environmental, social, and economical changes, there is a lack of information regarding the interrelationship between these changes and soil fertility and erosion. Thus, the 'Vaca Brava' watershed (14,04 km{sup 2}), located in the 'Agreste' region of Paraiba State, was selected to study the interrelationships between land use, landscape, particle size distribution, soil fertility and erosion using {sup 137} Cs redistribution. Small farms, where subsistence agriculture is intensive, are common in this watershed, as well as areas for environmental protection. A georreferenced survey of the watershed topography was initially carried out. Based on the survey data, the watershed was digitalized using a scale of 1:5000, and a 3-D map was created. Each landform element had its area determined on a area (absolute value) and percentage (relative value) basis. Shoulder, backslope and footslope positions represented 83% of the cultivated area in the watershed. A data base of 360 georreferenced soil samples (0-20 cm), collected using a stratified sampling scheme, was further created. Sites were stratified based on their landscape position (summit, shoulder, backslope, footslope, and toeslope) in factorial combination with land use (annual crops, pasture, Pennisetum purpureum, Mimosa caesalpiniae folia, bush fallow, and native forest). Physical analyses of the soil samples included particle size distribution and bulk density

  18. 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.

  19. Equation of state experiments and theory relevant to planetary modelling

    International Nuclear Information System (INIS)

    Ross, M.; Graboske, H.C. Jr.; Nellis, W.J.

    1981-01-01

    In recent years there have been a number of static and shockwave experiments on the properties of planetary materials. The highest pressure measurements, and the ones most relevant to planetary modelling, have been obtained by shock compression. Of particular interest to the Jovian group are results for H 2 , H 2 O, CH 4 and NH 3 . Although the properties of metallic hydrogen have not been measured, they have been the subject of extensive calculations. In addition recent shock wave experiments on iron report to have detected melting under Earth core conditions. From this data theoretical models have been developed for computing the equations of state of materials used in planetary studies. A compelling feature that has followed from the use of improved material properties is a simplification in the planetary models. (author)

  20. 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)

  1. 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.

  2. Intrinsic Lead Ion Emissions in Zero-Dimensional Cs4PbBr6 Nanocrystals

    KAUST Repository

    Yin, Jun

    2017-11-07

    We investigate the intrinsic lead ion (Pb2+) emissions in zero-dimensional (0D) perovskite nanocrystals (NCs) using a combination of experimental and theoretical approaches. The temperature-dependent photoluminescence experiments for both “nonemissive” (highly suppressed green emission) and emissive (bright green emission) Cs4PbBr6 NCs show a splitting of emission spectra into high- and low-energy transitions in the ultraviolet (UV) spectral range. In the nonemissive case, we attribute the high-energy UV emission at approximately 350 nm to the allowed optical transition of 3P1 to 1S0 in Pb2+ ions and the low-energy UV emission at approximately 400 nm to the charge-transfer state involved in the 0D NC host lattice (D-state). In the emissive Cs4PbBr6 NCs, in addition to the broad UV emission, we demonstrate that energy transfer occurs from Pb2+ ions to green luminescent centers. The optical phonon modes in Cs4PbBr6 NCs can be assigned to both Pb–Br stretching and rocking motions from density functional theory calculations. Our results address the origin of the dual broadband Pb2+ ion emissions observed in Cs4PbBr6 NCs and provide insights into the mechanism of ionic exciton–optical phonon interactions in these 0D perovskites.

  3. G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach

    KAUST Repository

    Wang, H.

    2014-05-13

    Electronic structure calculations employing screened hybrid density functional theory are used to gain fundamental insight into the interaction of carbon interstitial (Ci) and substitutional (Cs) atoms forming the CiCs defect known as G-center in silicon (Si). The G-center is one of the most important radiation related defects in Czochralski grown Si. We systematically investigate the density of states and formation energy for different types of CiCs defects with respect to the Fermi energy for all possible charge states. Prevalence of the neutral state for the C-type defect is established.

  4. The large second-harmonic generation of LiCs{sub 2}PO{sub 4} is caused by the metal-cation-centered groups

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Xiyue; Guo, Guo-Cong; Hong, Maochun; Deng, Shuiquan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou (China); Whangbo, Myung-Hwan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou (China); Department of Chemistry, North Carolina State University, Raleigh, NC (United States)

    2018-04-03

    We evaluated the individual atom contributions to the second harmonic generation (SHG) coefficients of LiCs{sub 2}PO{sub 4} (LCPO) by introducing the partial response functionals on the basis of first principles calculations. The SHG response of LCPO is dominated by the metal-cation-centered groups CsO{sub 6} and LiO{sub 4}, not by the nonmetal-cation-centered groups PO{sub 4} expected from the existing models and theories. The SHG coefficients of LCPO are determined mainly by the occupied orbitals O 2p and Cs 5p as well as by the unoccupied orbitals Cs 5d and Li 2p. For the SHG response of a material, the polarizable atomic orbitals of the occupied and the unoccupied states are both important. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. 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.

  6. Effective SU(2) theory for the pseudogap state

    Science.gov (United States)

    Montiel, X.; Kloss, T.; Pépin, C.

    2017-03-01

    This paper exposes in a detailed manner the recent findings about the SU(2) scenario for the underdoped phase of the cuprate superconductors. The SU(2) symmetry is formulated as a rotation between the d -wave superconducting (SC) phase and a d -wave charge order. We define the operators responsible for the SU(2) rotations and we derive the nonlinear σ model associated with it. In this framework, we demonstrate that SU(2) fluctuations are massless in finite portions of the Brillouin zone corresponding to the antinodal regions (0 ,π ) and (π ,0 ). We argue that the presence of SU(2) fluctuations in the antinodal region leads to the opening of Fermi arcs around the Fermi surface and to the formation of the pseudogap. Moreover, we show that SU(2) fluctuations lead, in turn, to the emergence of a finite momentum SC order—or pair density wave (PDW)—and more importantly to a new kind of excitonic particle-hole pairs liquid, the resonant excitonic state (RES), which is made of patches of preformed particle-hole pairs with multiple momenta. When the RES liquid becomes critical, we demonstrate that electronic scattering through the critical modes leads to anomalous transport properties. This new finding can account for the strange metal (SM) phase at finite temperature, on the right-hand side of the SC dome, shedding light on another notoriously mysterious part of the phase diagram of the cuprates.

  7. 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.

  8. 137Cs in man organism

    International Nuclear Information System (INIS)

    Marej, A.N.; Barkhudarov, R.M.

    1980-01-01

    Considered are the levels of 137 Cs content in the organism of adult urban population of the USSR and the main regularities of their alterations during 1962-1974. The non-uniform distribution of levels of 137 Cs buildup in adult population is shown to be connected with soil and geographic conditions. Food stuffs of local production have a noticeable effect on the levels of 137 Cs buildup in the organism of urban population. Calculation methods are used to study 137 Cs administration in a human organism. No significant difference is found between the indexes of 137 Cs content in the organism of rural and urban population. Presented are the levels of 137 Cs content in the organisms of inhabitants of such regions as Far North and Byelorussian-Ukrainian woodlands. Given are the reasons for the increased content of 137 Cs in the organism of rural population of these zones

  9. 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

  10. 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.

  11. 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

  12. The behavior of radioactive 137Cs and stable Cs at the isolated undisturbed mountain pond in Fukui, Japan

    International Nuclear Information System (INIS)

    Iwamoto, Kazumi; Kimura, Makio; Ando, Kenji; Amano, Hikaru

    2003-01-01

    The behavior of radioactive 137 Cs and stable Cs at the isolated undisturbed mountain pond in Fukui, Japan was studied for the pond water, the sedimentary grains and the soil near the pond. The concentrations of 137 Cs and stable Cs in the pond water ranged from 0.23 to 0.85 Bq/m 3 and from 0.005 to 0.018 mg/m 3 , respectively. The sedimentary grains were sorted by sieving into fractions with diameter from 2 mm to less than 38 μm. The concentrations of 137 Cs and stable Cs in the sorted grains were measured, and those of the adsorbed state were determined by subtracting the concentration of the grain matrix. The adsorbed concentrations increased with decrease in particle diameter and depended less on the kind of samples. The in-situ distribution coefficient Kd depended largely on particle diameter and increased with the decrease in diameter. The values of Kd ranged from about 20 to 1200 m 3 /kg for stable Cs and about 15 to 1000 m 3 /kg for 137 Cs, and the Kd of 137 Cs seemed to be slightly smaller than that of stable Cs. The concentration of stable Cs in the sedimentary mud was found to be close to that of the fine grains. The concentrations of stable Cs in the soil near the pond was about 7.7 mg/kg, and that of 137 Cs was about 0.6 kBq/kg for the surface layer soil and decreased with increase in soil depth. (author)

  13. Theoretical study of the Cs isotope exchange reaction of CsI + Cs' → Cs + ICs' (Contract research)

    International Nuclear Information System (INIS)

    Kobayashi, Takanori; Hashimoto, Masashi; Yokoyama, Keiichi

    2015-12-01

    To discuss the exchange reaction of Cs isotope by CsI + Cs' → Cs + ICs', the structure and chemical properties of Cs 2 I intermediate and potential energy surface of the entrance reaction are calculated using M06/def2-TZVPPD density functional calculation. The calculation shows that the reaction to the intermediate has no barrier and the two Cs-I bonds of Cs 2 I are chemically equivalent. These results suggest that the rate of the Cs exchange reaction of CsI + Cs' → Cs + ICs' is as high as the collision rate. (author)

  14. 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.

  15. 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.

  16. Frameworks in CS1

    DEFF Research Database (Denmark)

    Christensen, Henrik Bærbak; Caspersen, Michael Edelgaard

    2002-01-01

    In this paper we argue that introducing object-oriented frameworks as subject already in the CS1 curriculum is important if we are to train the programmers of tomorrow to become just as much software reusers as software producers. We present a simple, graphical, framework that we have successfull...... point for introducing graphical user interface frameworks such as Java Swing and AWT as the students are not overwhelmed by all the details of such frameworks right away but given a conceptual road-map and practical experience that allow them to cope with the complexity....

  17. CS Seminar Videos

    OpenAIRE

    Ong, Derek; Tona, Glen; Gibb, Kyle; Parbadia, Sivani

    2013-01-01

    Main site for our project can be found at this URL: http://vtechworks.lib.vt.edu/handle/10919/19036. From here you can find videos of all the CS seminars and distinguished lectures given this semester. Each video has its own abstract and description. The files attached in this section are a final report in both raw Word Document and archival PDF formats and a presentation in both raw Powerpoint and archival PDF formats. Computer Science seminars are a very educational and interesting as...

  18. Frameworks in CS1

    DEFF Research Database (Denmark)

    Christensen, Henrik Bærbak; Caspersen, Michael Edelgaard

    2002-01-01

    point for introducing graphical user interface frameworks such as Java Swing and AWT as the students are not overwhelmed by all the details of such frameworks right away but given a conceptual road-map and practical experience that allow them to cope with the complexity.......In this paper we argue that introducing object-oriented frameworks as subject already in the CS1 curriculum is important if we are to train the programmers of tomorrow to become just as much software reusers as software producers. We present a simple, graphical, framework that we have successfully...

  19. 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.

  20. 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.

  1. “Protective Bystander Effects Simulated with the State-Vector Model”—HeLa x Skin Exposure to 137Cs Not Protective Bystander Response But Mammogram and Diagnostic X-Rays Are

    Science.gov (United States)

    Leonard, Bobby E.

    2008-01-01

    The recent Dose Response journal article “Protective Bystander Effects Simulated with the State-Vector Model” (Schollnberger and Eckl 2007) identified the suppressive (below natural occurring, zero primer dose, spontaneous level) dose response for HeLa x skin exposure to 137Cs gamma rays (Redpath et al 2001) as a protective Bystander Effect (BE) behavior. I had previously analyzed the Redpath et al (2001) data with a Microdose Model and conclusively showed that the suppressive response was from Adaptive Response (AR) radio-protection (Leonard 2005, 2007a). The significance of my microdose analysis has been that low LET radiation induced single (i.e. only one) charged particle traversals through a cell can initiate a Poisson distributed activation of AR radio-protection. The purpose of this correspondence is to clarify the distinctions relative to the BE and the AR behaviors for the Redpath groups 137Cs data, show conversely however that the Redpath group data for mammography (Ko et al 2004) and diagnostic (Redpath et al 2003) X-rays do conclusively reflect protective bystander behavior and also herein emphasize the need for radio-biologist to apply microdosimetry in planning and analyzing their experiments for BE and AR. Whether we are adamantly pro-LNT, adamantly anti-LNT or, like most of us, just simple scientists searching for the truth in radio-biology, it is important that we accurately identify our results, especially when related to the LNT hypothesis controversy. PMID:18846260

  2. Theory of Nonlinear Dispersive Waves and Selection of the Ground State

    International Nuclear Information System (INIS)

    Soffer, A.; Weinstein, M.I.

    2005-01-01

    A theory of time-dependent nonlinear dispersive equations of the Schroedinger or Gross-Pitaevskii and Hartree type is developed. The short, intermediate and large time behavior is found, by deriving nonlinear master equations (NLME), governing the evolution of the mode powers, and by a novel multitime scale analysis of these equations. The scattering theory is developed and coherent resonance phenomena and associated lifetimes are derived. Applications include Bose-Einstein condensate large time dynamics and nonlinear optical systems. The theory reveals a nonlinear transition phenomenon, 'selection of the ground state', and NLME predicts the decay of excited state, with half its energy transferred to the ground state and half to radiation modes. Our results predict the recent experimental observations of Mandelik et al. in nonlinear optical waveguides

  3. 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.

  4. A finite state, finite memory minimum principle, part 2. [a discussion of game theory, signaling, stochastic processes, and control theory

    Science.gov (United States)

    Sandell, N. R., Jr.; Athans, M.

    1975-01-01

    The development of the theory of the finite - state, finite - memory (FSFM) stochastic control problem is discussed. The sufficiency of the FSFM minimum principle (which is in general only a necessary condition) was investigated. By introducing the notion of a signaling strategy as defined in the literature on games, conditions under which the FSFM minimum principle is sufficient were determined. This result explicitly interconnects the information structure of the FSFM problem with its optimality conditions. The min-H algorithm for the FSFM problem was studied. It is demonstrated that a version of the algorithm always converges to a particular type of local minimum termed a person - by - person extremal.

  5. 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.

  6. 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

  7. 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.

  8. Determination of Cs-134 and Cs-137 rain water samples

    International Nuclear Information System (INIS)

    Lima, M.F.; Mazzilli, B.

    1988-01-01

    In order to setting an environmental monitoring program at IPEN, was developed a fast and simple methodology for concentration of Cs-134 and Cs-137 in rain water. This procedure consists in the precipitation of cesium and others cathions of its family (NH 4 + , K + and Rb + ) by ammonium molybdophosphate. The measures of the desintegration rates of Cs-134 and Cs-137 was done by gamma spectrometry in a Ge(Li) detector. After setting up the ideal experimental conditions, the procedure was used to analyze four samples of rain water. (author) [pt

  9. Bright-Emitting Perovskite Films by Large-Scale Synthesis and Photoinduced Solid-State Transformation of CsPbBr3 Nanoplatelets.

    Science.gov (United States)

    Shamsi, Javad; Rastogi, Prachi; Caligiuri, Vincenzo; Abdelhady, Ahmed L; Spirito, Davide; Manna, Liberato; Krahne, Roman

    2017-10-24

    Lead halide perovskite nanocrystals are an emerging class of materials that have gained wide interest due to their facile color tuning and high photoluminescence quantum yield. However, the lack of techniques to translate the high performance of nanocrystals into solid films restricts the successful exploitation of such materials in optoelectronics applications. Here, we report a heat-up and large-scale synthesis of quantum-confined, blue-emitting CsPbBr 3 nanoplatelets (NPLs) that self-assemble into stacked lamellar structures. Spin-coated films fabricated from these NPLs show a stable blue emission with a photoluminescence quantum yield (PLQY) of 25%. The morphology and the optoelectronic properties of such films can be dramatically modified by UV-light irradiation under ambient conditions at a high power, which transforms the self-assembled stacks of NPLs into much larger structures, such as square-shaped disks and nanobelts. The emission from the transformed thin films falls within the green spectral region with a record PLQY of 65%, and they manifest an amplified spontaneous emission with a sharp line width of 4 nm at full-width at half-maximum under femtosecond-pulsed excitation. The transformed films show stable photocurrents with a responsivity of up to 15 mA/W and response times of tens of milliseconds and are robust under treatment with different solvents. We exploit their insolubility in ethanol to fabricate green-emitting, all-solution-processed light-emitting diodes with an external quantum efficiency of 1.1% and a luminance of 590 Cd/m 2 .

  10. Microhydration of caesium compounds: Cs, CsOH, CsI and Cs₂I₂ complexes with one to three H₂O molecules of nuclear safety interest.

    Science.gov (United States)

    Sudolská, Mária; Cantrel, Laurent; Cernušák, Ivan

    2014-04-01

    Structure and thermodynamic properties (standard enthalpies of formation and Gibbs free energies) of hydrated caesium species of nuclear safety interest, Cs, CsOH, CsI and its dimer Cs₂I₂, with one up to three water molecules, are calculated to assess their possible existence in severe accident occurring to a pressurized water reactor. The calculations were performed using the coupled cluster theory including single, double and non-iterative triple substitutions (CCSD(T)) in conjunction with the basis sets (ANO-RCC) developed for scalar relativistic calculations. The second-order spin-free Douglas-Kroll-Hess Hamiltonian was used to account for the scalar relativistic effects. Thermodynamic properties obtained by these correlated ab initio calculations (entropies and thermal capacities at constant pressure as a function of temperature) are used in nuclear accident simulations using ASTEC/SOPHAEROS software. Interaction energies, standard enthalpies and Gibbs free energies of successive water molecules addition determine the ordering of the complexes. CsOH forms the most hydrated stable complexes followed by CsI, Cs₂I₂, and Cs. CsOH still exists in steam atmosphere even at quite high temperature, up to around 1100 K.

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. Classical generalized transition-state theory. Application to a collinear reaction with two saddle points

    International Nuclear Information System (INIS)

    Garrett, B.C.; Truhlar, D.G.; Grev, R.S.

    1981-01-01

    Accurate classical dynamical fixed-energy reaction probabilities and fixed-temperature rate constants are calculated for the collinear reaction H + FH on a low-barrier model potential energy surface. The calculations cover energies from 0.1 to 100 kcal/mol above threshold and temperatures of 100 to 10,000 K. The accurate results are used to test five approximate theories: conventional transition-state theory (TST), canonical variational theory (CVT), improved canonical variational theory (ICVT), microcanonical variational theory (μVT), and the unified statistical model (US). The first four of these theories involve a single dividing surface in phase space, and the US theory involves three dividing surfaces. The tests are particularly interesting because the potential energy surface has two identical saddle points. At temperatures from 100 to 2000 K, the μVt is the most accurate theory, with errors in the range 11 to 14%; for temperatures from 2000 to 10,000 K, the US theory is the most successful, with errors in the range 3 to 14%. Over the whole range, a factor of 100 in temperature, both theories have errors of 35% or less. Even TST has errors of 47% or less over the whole factor-of-100 temperature range. Although the US model should become exact at threshold for this system, it already underestimates the reaction probability by a factor of 0.64 at 0.1 kcal/mol above threshold. TST and μVT agree with each other within 12% up to an energy 13 kcal/mol above the saddle point energy. 3 figures, 2 tables

  16. 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.

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

    Science.gov (United States)

    Kang, Byungkyun; Biswas, Koushik

    2018-02-15

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

  18. 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.)

  19. Dissolution behavior of 137Cs absorbed on the green tea leaves

    International Nuclear Information System (INIS)

    Oya, Yasuhisa; Uchimura, Hiromichi; Toda, Kensuke; Okuno, Kenji; Ikka, Takashi; Morita, Akio

    2013-01-01

    The green tea leaves was dipped in the 137 CsCl solution to elucidate the dissolution behavior of 137 Cs contaminated on the green tea leaves. It was found that the amount of 137 Cs dissolved into tea water was controlled by the temperature of water, and the activation energy of 137 Cs dissolution was estimated to be 0.045 eV, indicating that most of 137 Cs would exist as the adsorbed state. In addition, the dissolution behavior was controlled by the concentration of stable Cs dissolved in water, although no large correlation with pH was observed. (author)

  20. Foundation Fireworks CS4

    CERN Document Server

    Smith, N; Heerema, Matt; Mallott, Chuch; King, R; Erskine, Craig

    2009-01-01

    Are you a web designer who is looking for a new and quicker way to prototype and create for the web? Perhaps you are a programmer who finds most design tools to be overkill for what you need to get done. Or, maybe you're an old Fireworks pro, who wants to keep up to date on the latest changes in Creative Suite 4. Either way, this book has something for you. * Coverage of all that's new and powerful for the Web designer and developer in Fireworks CS4* Targets developers who want design tools that don't get in their way and designers who want development tools that don't constrain their creativi

  1. Frameworks in CS1

    DEFF Research Database (Denmark)

    Christensen, Henrik Bærbak; Caspersen, Michael Edelgaard

    2002-01-01

    point for introducing graphical user interface frameworks such as Java Swing and AWT as the students are not overwhelmed by all the details of such frameworks right away but given a conceptual road-map and practical experience that allow them to cope with the complexity.......In this paper we argue that introducing object-oriented frameworks as subject already in the CS1 curriculum is important if we are to train the programmers of tomorrow to become just as much software reusers as software producers. We present a simple, graphical, framework that we have successfully...... used to introduce the principles of object-oriented frameworks to students at the introductory programming level. Our framework, while simple, introduces central abstractions such as inversion of control, event-driven programming, and variability points/hot-spots. This has provided a good starting...

  2. 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

  3. Comparison of 3D Classical Trajectory and Transition-State Theory Reaction Cross Sections

    Science.gov (United States)

    Koeppl, G. W.; Karplus, Martin

    1970-10-01

    Although there is excellent agreement for a system such as H+H{sub 2} --> H{sub 2}+H, in which both the potential and the particle masses are symmetric, significant deviations occur for more asymmetric reactions. A detailed analysis show that the calculated differences are from the violation of two assumptions of transition-state theory.

  4. 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.

  5. 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

  6. 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

  7. Durkheim's and Weber's notions of the State in Marxist political theory: similarities and differences

    Directory of Open Access Journals (Sweden)

    Graciela Alejandra Inda

    2009-05-01

    Full Text Available This article is a contribution to the comparatively scarce literature on how Durkheim and Weber - those canonical sociological theorists - conceived of the State. I shall examine just what relation each of their conceptions has to Marxist theory, and ask to what degree they coincide or diverge.    

  8. 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…

  9. Situational State Balances and Participation Motivation in Youth Sport: A Reversal Theory Perspective

    Science.gov (United States)

    Sit, Cindy H. P.; Lindner, Koenraad J.

    2006-01-01

    Background: Reversal theory (Apter, 1982, 1989, ) is one of the motivational frameworks which attempts to examine human subjective experiences and behaviours. There are four dyads of metamotivational states (telic-paratelic, conformist-negativistic, autic-alloic, and mastery-sympathy) and individuals may prefer to be in one rather than the other…

  10. 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

  11. An Application of Durkheim's Theory of Suicide to Prison Suicide Rates in the United States

    Science.gov (United States)

    Tartaro, Christine; Lester, David

    2005-01-01

    E. Durkheim (1897) suggested that the societal rate of suicide might be explained by societal factors, such as marriage, divorce, and birth rates. The current study examined male prison suicide rates and suicide rates for men in the total population in the United States and found that variables based on Durkheim's theory of suicide explained…

  12. White noise theory of robust nonlinear filtering with correlated state and observation noises

    NARCIS (Netherlands)

    Bagchi, Arunabha; Karandikar, Rajeeva

    1992-01-01

    In the direct white noise theory of nonlinear filtering, the state process is still modeled as a Markov process satisfying an Ito stochastic differential equation, while a finitely additive white noise is used to model the observation noise. In the present work, this asymmetry is removed by modeling

  13. White noise theory of robust nonlinear filtering with correlated state and observation noises

    NARCIS (Netherlands)

    Bagchi, Arunabha; Karandikar, Rajeeva

    1994-01-01

    In the existing `direct¿ white noise theory of nonlinear filtering, the state process is still modelled as a Markov process satisfying an Itô stochastic differential equation, while a `finitely additive¿ white noise is used to model the observation noise. We remove this asymmetry by modelling the

  14. Methodology of the {sup 137} Cs for the soil erosion and deposition determination in a micro basin from the north of Parana State; Metodologia do {sup 137} Cs para determinacao da erosao e deposicao de solo em uma microbacia do norte do Parana

    Energy Technology Data Exchange (ETDEWEB)

    Andrello, Avacir Casanova

    1997-12-31

    The measurement of {sup 137} Cs redistribution in the field allows the determination of soil erosion/accumulation. The {sup 137} Cs activity of soil samples, taken from a small basin at the North of Parana, were measured employing a HPGe gamma ray detector and a standard spectrometric nuclear electronic chain. Standard oil samples with known concentrations of {sup 137} Cs were prepared for the detection efficiency determination. Soil loss or gain was measured at the top, midslope and low slope regions, for six different transects at the investigated small basin. (author) 47 refs., 31 figs., 11 tabs.

  15. Methodology of the {sup 137} Cs for the soil erosion and deposition determination in a micro basin from the north of Parana State; Metodologia do {sup 137} Cs para determinacao da erosao e deposicao de solo em uma microbacia do norte do Parana

    Energy Technology Data Exchange (ETDEWEB)

    Andrello, Avacir Casanova

    1998-12-31

    The measurement of {sup 137} Cs redistribution in the field allows the determination of soil erosion/accumulation. The {sup 137} Cs activity of soil samples, taken from a small basin at the North of Parana, were measured employing a HPGe gamma ray detector and a standard spectrometric nuclear electronic chain. Standard oil samples with known concentrations of {sup 137} Cs were prepared for the detection efficiency determination. Soil loss or gain was measured at the top, midslope and low slope regions, for six different transects at the investigated small basin. (author) 47 refs., 31 figs., 11 tabs.

  16. Concentration in activity of {sup 137} Cs, {sup 40} K, {sup 232} Th, {sup 226} Ra in waste deposits of the benefits of minerals in the State of Zacatecas; Concentracion en actividad de {sup 137} Cs, {sup 40} K, {sup 232} Th, {sup 226} Ra en depositos de desecho del beneficio de minerales en el Estado de Zacatecas

    Energy Technology Data Exchange (ETDEWEB)

    Leal, B.; Mireles, F.; Quirino, L.; Davila, I.; Ramirez, F. [UAZ, A.P. 579C, 98068 Zacatecas (Mexico)

    2003-07-01

    The necessity to report the changes in the contained radionuclides in the terrestrial crust, or those deposited by the atomic tests around the world, becomes clear when observing the use of material of waste of those mines. With the purpose of quantifying the concentration in activity its were meet a series of waste samples in mines of the municipalities of Zacatecas, Fresnillo, Guadalupe and Veta Grande of the state of Zacatecas, Mexico. The analysis was carried out by gamma spectrometry with a HPGe detector with a resolution of 1.9 keV corresponding to an energy of 1.33 MeV calibrated in efficiency and energy by means of a certified standard multi nuclide in activity with identical geometry to that of the samples. The times of count are of 80000 seconds, with the purpose of to reduce the relative uncertainties and to define well the interest regions. The activity of {sup 226} Ra and {sup 232} Th is obtained through the one {sup 214} Bi and {sup 228} Ac respectively, the concentration was also measured in activity of the one {sup 40} K and the {sup 137} Cs in units of Bq kg{sup -1}. (Author)

  17. Observation of new satellites in Cs-Ar system using resonance ionization spectroscopy

    International Nuclear Information System (INIS)

    Nayfeh, M.H.; Hurst, G.S.; Payne, M.G.; Young, J.P.

    1978-01-01

    The absorption line shape of Cs-Ar system is recorded using two-photon ionization of the system with Cs(7P) as an intermediate state. New satellite structures in the wings of Cs(7P) are observed which were not resolved in previous absorption measurements. Also the absolute absorption cross section in the blue wing is measured

  18. 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.

  19. 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.

  20. 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.

  1. The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shuyuan [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Zhang, Hong, E-mail: hongzhang@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Miyamoto, Yoshiyuki [Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono, Tsukuba 305-8568 (Japan)

    2014-01-15

    Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

  2. The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

    International Nuclear Information System (INIS)

    Zhang, Shuyuan; Zhang, Hong; Miyamoto, Yoshiyuki

    2014-01-01

    Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

  3. 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

  4. 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...

  5. CFD Analysis for the Steady State Test of CS28-1 Simulating High Temperature Chemical Reactions in CANDU Fuel Channel

    International Nuclear Information System (INIS)

    Park, Ju Hwan; Kang, Hyung Seok; Rhee, Bo Wook

    2006-05-01

    The establishment of safety analysis system and technology for CANDU reactors has been performed at KAERI. As for one of these researches, single CANDU fuel bundle has been simulated by CATHENA for the post-blowdown event to consider the complicated geometry and heat transfer in the fuel channel. In the previous LBLOCA analysis methodology adopted for Wolsong 2, 3, 4 licensing, the fuel channel blowdown phase was analyzed by a CANDU system analysis code CATHENA and the post-blowdown phase of fuel channel was analyzed by CHAN-IIA code. The use of one computer code in consecutive analyses appeared to be desirable for consistency and simplicity in the safety analysis process. However, validation of the high temperature post-blowdown fuel channel model in the CATHENA before being used in the accident analysis is necessary. Experimental data for the 37-element fuel bundle that fueled CANDU-6 has not been performed. The benchmark problems for the 37-element fuel bundle using CFD code will be compared with the test results of the 28-element fuel bundle in the CS28-1 experiment. A full grid model of FES to the calandria tube simulating the test section was generated. The number of the generated mesh in the grid model was 4,324,340 cells. The boundary and heat source conditions, and properties data in the CFD analysis were given according to the test results and reference data. Thermal hydraulic phenomena in the fuel channel were simulated by a compressible flow, a highly turbulent flow, and a convection/conduction/radiation heat transfer. The natural convection flow of CO 2 due to a large temperature difference in the gap between the pressure and the calandria tubes was treated by Boussinesq's buoyancy model. The CFD results showed good agreement with the test results as a whole. The inner/middle/outer FES temperature distributions of the CFD results showed a small overestimated value of about 30 .deg. C at the entrance region, but good agreement at the outlet region. The

  6. Electronic Spectra of Cs2NaYb(NO2)6: Is There Quantum Cutting?

    Science.gov (United States)

    Luo, Yuxia; Liu, Zhenyu; Hau, Sam Chun-Kit; Yeung, Yau Yuen; Wong, Ka-Leung; Shiu, Kwok Keung; Chen, Xueyuan; Zhu, Haomiao; Bao, Guochen; Tanner, Peter A

    2018-05-03

    The crystal structure and electronic spectra of the T h symmetry hexanitritoytterbate(III) anion have been studied in Cs 2 NaY 0.96 Yb 0.04 (NO 2 ) 6 , which crystallizes in the cubic space group Fm3̅. The emission from Yb 3+ can be excited via the NO 2 - antenna. The latter electronic transition is situated at more than twice the energy of the former, but at room temperature, one photon absorbed at 470 nm in the triplet state produces no more than one photon emitted. Some degree of quantum cutting is observed at 298 K under 420 nm excitation into the singlet state and at 25 K using excitation into either state. The quantum efficiency is ∼10% at 25 K. The energy level scheme of Yb 3+ has been deduced from excitation and emission spectra and calculated by crystal field theory. New improved energy level calculations are also reported for the Cs 2 NaLn(NO 2 ) 6 (Ln = Pr, Eu, Tb) series using the f- Spectra package. The neat crystal Cs 2 NaYb(NO 2 ) 6 has also been studied, but results were unsatisfactory due to sample decomposition, and this chemical instability makes it unsuitable for applications.

  7. 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

  8. 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.

  9. Feshbach and Efimov Resonances in A 6Li- 133Cs Atomic Mixture

    Science.gov (United States)

    Johansen, Jacob

    This thesis reports measurements of interactions in Fermi-Bose 6Li-133Cs mixtures. Precise control of this Bose-Fermi mixture allowed us to probe few-body physics in regimes which were previously inaccessible. In particular, we performed the first model-independent test of geometric scaling of Efimov physics and probed Efimov resonances farther in the weakly coupled, narrow resonance regime than previously possible. For this work, we built a new apparatus which overcomes the many challenges faced by Li-Cs mixtures. We developed several novel dipole trapping schemes which overcome the difficulties of mixing Li and Cs, including the large differences in initial trapping and cooling between these atomic species and a large differential gravitational sag. We also achieved part per million level magnetic field control near 900 G, necessary for the precise measurements near narrow Feshbach resonances undertaken in this thesis, by pioneering a tomographic magnetic field calibration technique. With this apparatus, we first probed the Feshbach resonances of the Li-Cs mixture. This is an essential first step, allowing us to understand and control the two-body interactions between our atoms. Next we began to probe Efimov physics, an important three-body phenomenon wherein an infinite series of three-body bound states arise near two-body scattering resonances, such as Feshbach resonances. We demonstrated the universal scaling expected theoretically for Efimov states near a Feshbach resonance. This task was made feasible in our system by a reduced Efimov scaling constant, yet still required precise magnetic field control. Finally, additional universal behavior of the first Efimov resonance has been observed empirically in a variety of atomic systems. While theory has explained this observed universality, predictions also indicate departures for narrow Feshbach resonances, contrary to previous experimental results. By further improving our magnetic field control to probe a very

  10. 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.

  11. 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.

  12. 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.

  13. 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...

  14. 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.

  15. Application of a Resource Theory for Magic States to Fault-Tolerant Quantum Computing.

    Science.gov (United States)

    Howard, Mark; Campbell, Earl

    2017-03-03

    Motivated by their necessity for most fault-tolerant quantum computation schemes, we formulate a resource theory for magic states. First, we show that robustness of magic is a well-behaved magic monotone that operationally quantifies the classical simulation overhead for a Gottesman-Knill-type scheme using ancillary magic states. Our framework subsequently finds immediate application in the task of synthesizing non-Clifford gates using magic states. When magic states are interspersed with Clifford gates, Pauli measurements, and stabilizer ancillas-the most general synthesis scenario-then the class of synthesizable unitaries is hard to characterize. Our techniques can place nontrivial lower bounds on the number of magic states required for implementing a given target unitary. Guided by these results, we have found new and optimal examples of such synthesis.

  16. 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.)

  17. Activity standardization of 134Cs and 137Cs

    International Nuclear Information System (INIS)

    Sochorová, Jana; Auerbach, Pavel

    2014-01-01

    The paper presents the results from a primary standardization of 137 Cs using two independent methods – efficiency tracing using PC-NaI coincidence and the TDCR method. The nuclides 60 Co and 134 Cs were used as the tracers. Primary standardization of the 134 Cs is also discussed. The efficiency extrapolation was carried out by measuring samples of varying mass and using the wet extrapolation method. The results obtained are in good agreement; the differences did not exceed 0.5%. The advantages, pitfalls and also possibilities for improvement of the procedures are discussed

  18. Theory of mind in the wild: toward tackling the challenges of everyday mental state reasoning.

    Directory of Open Access Journals (Sweden)

    Annie E Wertz

    Full Text Available A complete understanding of the cognitive systems underwriting theory of mind (ToM abilities requires articulating how mental state representations are generated and processed in everyday situations. Individuals rarely announce their intentions prior to acting, and actions are often consistent with multiple mental states. In order for ToM to operate effectively in such situations, mental state representations should be generated in response to certain actions, even when those actions occur in the presence of mental state content derived from other aspects of the situation. Results from three experiments with preschool children and adults demonstrate that mental state information is indeed generated based on an approach action cue in situations that contain competing mental state information. Further, the frequency with which participants produced or endorsed explanations that include mental states about an approached object decreased when the competing mental state information about a different object was made explicit. This set of experiments provides some of the first steps toward identifying the observable action cues that are used to generate mental state representations in everyday situations and offers insight into how both young children and adults processes multiple mental state representations.

  19. 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)

  20. 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.

  1. 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

  2. Coherent states: a contemporary panorama Coherent states: a contemporary panorama

    Science.gov (United States)

    Twareque Ali, S.; Antoine, Jean-Pierre; Bagarello, Fabio; Gazeau, Jean-Pierre

    2012-06-01

    Coherent states (CS) of the harmonic oscillator (also called canonical CS) were introduced in 1926 by Schrödinger in answer to a remark by Lorentz on the classical interpretation of the wave function. They were rediscovered in the early 1960s, first (somewhat implicitly) by Klauder in the context of a novel representation of quantum states, then by Glauber and Sudarshan for the description of coherence in lasers. Since then, CS have grown into an extremely rich domain that pervades almost every corner of physics and have also led to the development of several flourishing topics in mathematics. Along the way, a number of review articles have appeared in the literature, devoted to CS, notably the 1985 reprint volume of Klauder and Skagerstam [1], the 1990 review paper by Zhang et al [2], the 1993 Oak Ridge Conference [3] and the 1995 review paper by Ali et al [4]. Textbooks also have been published, among which one might mention the ground breaking text of Perelomov [5] focusing on the group-theoretical aspects, that of Ali et al [6]1 analyzing systematically the mathematical structure beyond the group-theoretical approach and also the relation to wavelet analysis, that of Dodonov and Man'ko [7] mostly devoted to quantum optics, that of Gazeau [8] more oriented towards the physical, probabilistic and quantization aspects, and finally the very recent one by Combescure and Robert [9]. In retrospect, one can see that the development of CS has gone through a two-phase transition. First, the (simultaneous) discovery in 1972 by Gilmore and Perelomov that CS were rooted in group theory, then the realization that CS can be defined in a purely algebraic way, as an eigenvalue problem or by a series expansion (Malkin and Man'ko 1969, Barut and Girardello 1971, Gazeau and Klauder 1999; references to the original articles may be found in the textbooks quoted above). Both facts resulted in an explosive expansion of the CS literature. We thought, therefore, that the time was ripe

  3. Elevated temperature inelastic analysis of metallic media under time varying loads using state variable theories

    International Nuclear Information System (INIS)

    Kumar, V.; Mukherjee, S.

    1977-01-01

    In the present paper a general time-dependent inelastic analysis procedure for three-dimensional bodies subjected to arbitrary time varying mechanical and thermal loads using these state variable theories is presented. For the purpose of illustrations, the problems of hollow spheres, cylinders and solid circular shafts subjected to various combinations of internal and external pressures, axial force (or constraint) and torque are analyzed using the proposed solution procedure. Various cyclic thermal and mechanical loading histories with rectangular or sawtooth type waves with or without hold-time are considered. Numerical results for these geometrical shapes for various such loading histories are presented using Hart's theory (Journal of Engineering Materials and Technology 1976). The calculations are performed for nickel in the temperature range of 25 0 C to 400 0 C. For integrating forward in time, a method of solving a stiff system of ordinary differential equations is employed which corrects the step size and order of the method automatically. The limit loads for hollow spheres and cylinders are calculated using the proposed method and Hart's theory, and comparisons are made against the known theoretical results. The numerical results for other loading histories are discussed in the context of Hart's state variable type constitutive relations. The significance of phenomena such as strain rate sensitivity, Bauschinger's effect, crep recovery, history dependence and material softening with regard to these multiaxial problems are discussed in the context of Hart's theory

  4. 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)

  5. 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.

  6. 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

  7. Initial states in integrable quantum field theory quenches from an integral equation hierarchy

    Directory of Open Access Journals (Sweden)

    D.X. Horváth

    2016-01-01

    Full Text Available We consider the problem of determining the initial state of integrable quantum field theory quenches in terms of the post-quench eigenstates. The corresponding overlaps are a fundamental input to most exact methods to treat integrable quantum quenches. We construct and examine an infinite integral equation hierarchy based on the form factor bootstrap, proposed earlier as a set of conditions determining the overlaps. Using quenches of the mass and interaction in Sinh-Gordon theory as a concrete example, we present theoretical arguments that the state has the squeezed coherent form expected for integrable quenches, and supporting an Ansatz for the solution of the hierarchy. Moreover we also develop an iterative method to solve numerically the lowest equation of the hierarchy. The iterative solution along with extensive numerical checks performed using the next equation of the hierarchy provides a strong numerical evidence that the proposed Ansatz gives a very good approximation for the solution.

  8. Initial states in integrable quantum field theory quenches from an integral equation hierarchy

    Energy Technology Data Exchange (ETDEWEB)

    Horváth, D.X., E-mail: esoxluciuslinne@gmail.com [MTA-BME “Momentum” Statistical Field Theory Research Group, Budafoki út 8, 1111 Budapest (Hungary); Department of Theoretical Physics, Budapest University of Technology and Economics, Budafoki út 8, 1111 Budapest (Hungary); Sotiriadis, S., E-mail: sotiriad@sissa.it [SISSA and INFN, Via Bonomea 265, 34136 Trieste (Italy); Takács, G., E-mail: takacsg@eik.bme.hu [MTA-BME “Momentum” Statistical Field Theory Research Group, Budafoki út 8, 1111 Budapest (Hungary); Department of Theoretical Physics, Budapest University of Technology and Economics, Budafoki út 8, 1111 Budapest (Hungary)

    2016-01-15

    We consider the problem of determining the initial state of integrable quantum field theory quenches in terms of the post-quench eigenstates. The corresponding overlaps are a fundamental input to most exact methods to treat integrable quantum quenches. We construct and examine an infinite integral equation hierarchy based on the form factor bootstrap, proposed earlier as a set of conditions determining the overlaps. Using quenches of the mass and interaction in Sinh-Gordon theory as a concrete example, we present theoretical arguments that the state has the squeezed coherent form expected for integrable quenches, and supporting an Ansatz for the solution of the hierarchy. Moreover we also develop an iterative method to solve numerically the lowest equation of the hierarchy. The iterative solution along with extensive numerical checks performed using the next equation of the hierarchy provides a strong numerical evidence that the proposed Ansatz gives a very good approximation for the solution.

  9. Borders amidst power, State and mass media, from a critical theory standpoint

    Directory of Open Access Journals (Sweden)

    Manuel Ortiz Marín

    2006-07-01

    Full Text Available A conception of the power, from the glance of the Critical Theory that it allows to understand the woven complex that links the relations of power to most of the human activities. This paper also approaches to the State as a regulating element of the different forces from institutional character, that they operate in its interior like structures of power and the function as that the massive mass media in the complexity of the modern societies act.

  10. Hadronic equation of state in the statistical bootstrap model and linear graph theory

    International Nuclear Information System (INIS)

    Fre, P.; Page, R.

    1976-01-01

    Taking a statistical mechanical point og view, the statistical bootstrap model is discussed and, from a critical analysis of the bootstrap volume comcept, it is reached a physical ipothesis, which leads immediately to the hadronic equation of state provided by the bootstrap integral equation. In this context also the connection between the statistical bootstrap and the linear graph theory approach to interacting gases is analyzed

  11. The electromagnetic virtual cloud of the ground-state hydrogen atom - a quantum field theory approach

    International Nuclear Information System (INIS)

    Radozycki, T.

    1990-01-01

    The properties of the virtual cloud around the hydrogen atom in the ground state are studied with the use of quantum field theory methods. The relativistic expression for the electromagnetic energy density around the atom, with the electron spin taken into account, is obtained. The distribution of the angular momentum contained in the cloud and the self-interaction kernel for the electrons bound in atom are also investigated. (author)

  12. Relative entropy of excited states in conformal field theories of arbitrary dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Sárosi, Gábor [Theoretische Natuurkunde, Vrije Universiteit Brussels and International Solvay Institutes,Pleinlaan 2, Brussels, B-1050 (Belgium); David Rittenhouse Laboratory, University of Pennsylvania,Philadelphia, PA 19104 (United States); Ugajin, Tomonori [Kavli Institute for Theoretical Physics, University of California, Santa Barbara, CA 93106 (United States)

    2017-02-10

    Extending our previous work, we study the relative entropy between the reduced density matrices obtained from globally excited states in conformal field theories of arbitrary dimensions. We find a general formula in the small subsystem size limit. When one of the states is the vacuum of the CFT, our result matches with the holographic entanglement entropy computations in the corresponding bulk geometries, including AdS black branes. We also discuss the first asymmetric part of the relative entropy and comment on some implications of the results on the distinguishability of black hole microstates in AdS/CFT.

  13. 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

  14. 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

  15. Learning Flash CS4 Professional

    CERN Document Server

    Shupe, Rich

    2009-01-01

    Learning Flash CS4 Professional offers beginners and intermediate Flash developers a unique introduction to the latest version of Adobe's powerful multimedia application. This easy-to-read book is loaded with full-color examples and hands-on tasks to help you master Flash CS4's new motion editor, integrated 3D system, and character control using the new inverse kinematics bones animation system. No previous Flash experience is necessary.

  16. Photodissociation of CS from Excited Rovibrational Levels

    Science.gov (United States)

    Pattillo, R. J.; Cieszewski, R.; Stancil, P. C.; Forrey, R. C.; Babb, J. F.; McCann, J. F.; McLaughlin, B. M.

    2018-05-01

    Accurate photodissociation cross sections have been computed for transitions from the X 1Σ+ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment functions have been obtained for these computations using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pV6Z basis sets. State-resolved cross sections have been computed for transitions from nearly the full range of rovibrational levels of the X 1Σ+ state and for photon wavelengths ranging from 500 Å to threshold. Destruction of CS via predissociation in highly excited electronic states originating from the rovibrational ground state is found to be unimportant. Photodissociation cross sections are presented for temperatures in the range between 1000 and 10,000 K, where a Boltzmann distribution of initial rovibrational levels is assumed. Applications of the current computations to various astrophysical environments are briefly discussed focusing on photodissociation rates due to the standard interstellar and blackbody radiation fields.

  17. Full-potential multiple scattering theory with space-filling cells for bound and continuum states.

    Science.gov (United States)

    Hatada, Keisuke; Hayakawa, Kuniko; Benfatto, Maurizio; Natoli, Calogero R

    2010-05-12

    We present a rigorous derivation of a real-space full-potential multiple scattering theory (FP-MST) that is free from the drawbacks that up to now have impaired its development (in particular the need to expand cell shape functions in spherical harmonics and rectangular matrices), valid both for continuum and bound states, under conditions for space partitioning that are not excessively restrictive and easily implemented. In this connection we give a new scheme to generate local basis functions for the truncated potential cells that is simple, fast, efficient, valid for any shape of the cell and reduces to the minimum the number of spherical harmonics in the expansion of the scattering wavefunction. The method also avoids the need for saturating 'internal sums' due to the re-expansion of the spherical Hankel functions around another point in space (usually another cell center). Thus this approach provides a straightforward extension of MST in the muffin-tin (MT) approximation, with only one truncation parameter given by the classical relation l(max) = kR(b), where k is the electron wavevector (either in the excited or ground state of the system under consideration) and R(b) is the radius of the bounding sphere of the scattering cell. Moreover, the scattering path operator of the theory can be found in terms of an absolutely convergent procedure in the l(max) --> ∞ limit. Consequently, this feature provides a firm ground for the use of FP-MST as a viable method for electronic structure calculations and makes possible the computation of x-ray spectroscopies, notably photo-electron diffraction, absorption and anomalous scattering among others, with the ease and versatility of the corresponding MT theory. Some numerical applications of the theory are presented, both for continuum and bound states.

  18. ΔΔ intermediate state in 1S0NN scattering from effective field theory

    International Nuclear Information System (INIS)

    Savage, M.J.

    1997-01-01

    We examine the role of the ΔΔ intermediate state in NN scattering in the 1 S 0 channel. The computation is performed at lowest order in an effective-field theory involving local four-fermion operators and one-pion exchange using dimensional regularization with minimal subtraction (MS). As first discussed by Weinberg, in the theory with only nucleons, the large-scattering length in this channel requires a small scale for the local N 4 operators. When Δ close-quote s are included (but without pions) a large-scattering length can be obtained from operators with a scale √(2M N (M Δ -M N )), but fine-tuning is required. The coefficients of the contact terms involving the Δ fields are not uniquely determined but for reasonable values one finds that, in general, NN scattering computed in the theory with Δ close-quote s looks like that computed in the theory without Δ close-quote s. The leading effect of the Δ close-quote s is to change the coefficients of the four-nucleon contact terms between the theories with and without Δ close-quote s. Further, the decoupling of the Δ close-quote s in the limit of large mass and strong coupling is clearly demonstrated. When pions are included, the typical scale for the contact terms is ∼100MeV, both with and without Δ close-quote s and is not set by √(2M N (M Δ -M N )). For reasonable values of contact terms that reproduce the scattering length and effective range (at lowest order) the phase shift is not well reproduced over a larger momentum range as is found in the theory without Δ close-quote s at lowest order. copyright 1997 The American Physical Society

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. Decay of autoionizing states in time-dependent density functional and reduced density matrix functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Kapoor, Varun; Brics, Martins; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

    2013-07-01

    Autoionizing states are inaccessible to time-dependent density functional theory (TDDFT) using known, adiabatic Kohn-Sham (KS) potentials. We determine the exact KS potential for a numerically exactly solvable model Helium atom interacting with a laser field that is populating an autoionizing state. The exact single-particle density of the population in the autoionizing state corresponds to that of the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose height and width allows for the density to tunnel out and decay with the same rate as in the ab initio time-dependent Schroedinger calculation. However, devising a useful exchange-correlation potential that is capable of governing such a scenario in general and in more complex systems is hopeless. As an improvement over TDDFT, time-dependent reduced density matrix functional theory has been proposed. We are able to obtain for the above described autoionization process the exact time-dependent natural orbitals (i.e., the eigenfunctions of the exact, time-dependent one-body reduced density matrix) and study the potentials that appear in the equations of motion for the natural orbitals and the structure of the two-body density matrix expanded in them.

  4. 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.

  5. 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.

  6. Physicochemical properties of the CsNO2-CsOH-H2O ternary system at 25 deg C

    International Nuclear Information System (INIS)

    Protsenko, P.I.; Medvedev, B.S.; Popova, T.B.

    1977-01-01

    Saturated solutions of the CsNO 2 - CsOH- H 2 O system have been studied at 25 deg C by the methods of solubility, viscosity, electric conductivity, refractometry and density. It is stated that no solid phase of a new composition is formed in the system. While adding hydroxide to the saturated solution of cesium nitride, a considerable salting-out of the latter takes place

  7. Unambiguous state discrimination of two density matrices in quantum information theory

    International Nuclear Information System (INIS)

    Raynal, P.

    2008-01-01

    Quantum state discrimination is a fundamental task in quantum information theory. The signals are usually nonorthogonal quantum states, which implies that they can not be perfectly distinguished. One possible discrimination strategy is the so-called Unambiguous State Discrimination (USD) where the states are successfully identified with non-unit probability, but without error. The optimal USD measurement has been extensively studied in the case of pure states, especially for any pair of pure states. Recently, the problem of unambiguously discriminating mixed quantum states has attracted much attention. In the case of a pair of generic mixed states, no complete solution is known. In this thesis, we first present reduction theorems for optimal unambiguous discrimination of two generic density matrices. We show that this problem can be reduced to that of two density matrices that have the same rank r in a 2r-dimensional Hilbert space. These reduction theorems also allow us to reduce USD problems to simpler ones for which the solution might be known. As an application, we consider the unambiguous comparison of n linearly independent pure states with a simple symmetry. Moreover, lower bounds on the optimal failure probability have been derived. For two mixed states they are given in terms of the fidelity. Here we give tighter bounds as well as necessary and sufficient conditions for two mixed states to reach these bounds. We also construct the corresponding optimal measurement. With this result, we provide analytical solutions for unambiguously discriminating a class of generic mixed states. This goes beyond known results which are all reducible to some pure state case. We however show that examples exist where the bounds cannot be reached. Next, we derive properties on the rank and the spectrum of an optimal USD measurement. This finally leads to a second class of exact solutions. Indeed we present the optimal failure probability as well as the optimal measurement for

  8. 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.

  9. Single-particle energies and density of states in density functional theory

    Science.gov (United States)

    van Aggelen, H.; Chan, G. K.-L.

    2015-07-01

    Time-dependent density functional theory (TD-DFT) is commonly used as the foundation to obtain neutral excited states and transition weights in DFT, but does not allow direct access to density of states and single-particle energies, i.e. ionisation energies and electron affinities. Here we show that by extending TD-DFT to a superfluid formulation, which involves operators that break particle-number symmetry, we can obtain the density of states and single-particle energies from the poles of an appropriate superfluid response function. The standard Kohn- Sham eigenvalues emerge as the adiabatic limit of the superfluid response under the assumption that the exchange- correlation functional has no dependence on the superfluid density. The Kohn- Sham eigenvalues can thus be interpreted as approximations to the ionisation energies and electron affinities. Beyond this approximation, the formalism provides an incentive for creating a new class of density functionals specifically targeted at accurate single-particle eigenvalues and bandgaps.

  10. Mozart versus new age music: relaxation states, stress, and ABC relaxation theory.

    Science.gov (United States)

    Smith, Jonathan C; Joyce, Carol A

    2004-01-01

    Smith's (2001) Attentional Behavioral Cognitive (ABC) relaxation theory proposes that all approaches to relaxation (including music) have the potential for evoking one or more of 15 factor-analytically derived relaxation states, or "R-States" (Sleepiness, Disengagement, Rested / Refreshed, Energized, Physical Relaxation, At Ease/Peace, Joy, Mental Quiet, Childlike Innocence, Thankfulness and Love, Mystery, Awe and Wonder, Prayerfulness, Timeless/Boundless/Infinite, and Aware). The present study investigated R-States and stress symptom-patterns associated with listening to Mozart versus New Age music. Students (N = 63) were divided into three relaxation groups based on previously determined preferences. Fourteen listened to a 28-minute tape recording of Mozart's Eine Kleine Nachtmusik and 14 listened to a 28-minute tape of Steven Halpern's New Age Serenity Suite. Others (n = 35) did not want music and instead chose a set of popular recreational magazines. Participants engaged in their relaxation activity at home for three consecutive days for 28 minutes a session. Before and after each session, each person completed the Smith Relaxation States Inventory (Smith, 2001), a comprehensive questionnaire tapping 15 R-States as well as the stress states of somatic stress, worry, and negative emotion. Results revealed no differences at Session 1. At Session 2, those who listened to Mozart reported higher levels of At Ease/Peace and lower levels of Negative Emotion. Pronounced differences emerged at Session 3. Mozart listeners uniquely reported substantially higher levels of Mental Quiet, Awe and Wonder, and Mystery. Mozart listeners reported higher levels, and New Age listeners slightly elevated levels, of At Ease/Peace and Rested/Refreshed. Both Mozart and New Age listeners reported higher levels of Thankfulness and Love. In summary, those who listened to Mozart's Eine Kleine Nachtmusik reported more psychological relaxation and less stress than either those who listened to

  11. Assessing the optimism-pessimism debate: Nuclear proliferation, nuclear risks, and theories of state action

    International Nuclear Information System (INIS)

    Busch, Nathan Edward

    2001-01-01

    This dissertation focuses on the current debate in international relations literature over the risks associated with the proliferation of nuclear weapons. On this subject, IR scholars are divided into roughly two schools: proliferation 'optimists,' who argue that proliferation can be beneficial and that its associated hazards are at least surmountable, and proliferation 'pessimists,' who believe the opposite. This debate centers upon a theoretical disagreement about how best to explain and predict the behavior of states. Optimists generally ground their arguments on rational deterrence theory and maintain that nuclear weapons can actually increase stability among states, while pessimists often ground their arguments on 'organization theory,' which contends that organizational, bureaucratic, and other factors prevent states from acting rationally. A major difficulty with the proliferation debate, however, is that both sides tend to advance their respective theoretical positions without adequately supporting them with solid empirical evidence. This dissertation detailed analyses of the nuclear programs in the United States, Russia, China, India, and Pakistan to determine whether countries with nuclear weapons have adequate controls over their nuclear arsenals and tissue material stockpiles (such as highly enriched uranium and plutonium). These case studies identify the strengths and weaknesses of different systems of nuclear controls and help predict what types of controls proliferating states are likely to employ. On the basis of the evidence gathered from these cases, this dissertation concludes that a further spread of nuclear weapons would tend to have seriously negative effects on international stability by increasing risks of accidental, unauthorized, or inadvertent use of nuclear weapons and risks of thefts of fissile materials for use in nuclear or radiological devices by aspiring nuclear states or terrorist groups. (author)

  12. Transformation of Sintered CsPbBr3 Nanocrystals to Cubic CsPbI3 and Gradient CsPbBrxI3-x through Halide Exchange.

    Science.gov (United States)

    Hoffman, Jacob B; Schleper, A Lennart; Kamat, Prashant V

    2016-07-13

    All-inorganic cesium lead halide (CsPbX3, X = Br(-), I(-)) perovskites could potentially provide comparable photovoltaic performance with enhanced stability compared to organic-inorganic lead halide species. However, small-bandgap cubic CsPbI3 has been difficult to study due to challenges forming CsPbI3 in the cubic phase. Here, a low-temperature procedure to form cubic CsPbI3 has been developed through a halide exchange reaction using films of sintered CsPbBr3 nanocrystals. The reaction was found to be strongly dependent upon temperature, featuring an Arrhenius relationship. Additionally, film thickness played a significant role in determining internal film structure at intermediate reaction times. Thin films (50 nm) showed only a small distribution of CsPbBrxI3-x species, while thicker films (350 nm) exhibited much broader distributions. Furthermore, internal film structure was ordered, featuring a compositional gradient within film. Transient absorption spectroscopy showed the influence of halide exchange on the excited state of the material. In thicker films, charge carriers were rapidly transferred to iodide-rich regions near the film surface within the first several picoseconds after excitation. This ultrafast vectorial charge-transfer process illustrates the potential of utilizing compositional gradients to direct charge flow in perovskite-based photovoltaics.

  13. Theoretical equation of state for classical fluids. I. Test by perturbation theory

    International Nuclear Information System (INIS)

    Gil-Villegas, A.; Chavez, M.; Del Rio, F.

    1993-01-01

    This paper shows how to construct the theoretical equation of state (TEOS) of a classical simple fluid. The theory relies on the mean collisional diameter and range, and maps the thermodynamical properties of the fluid into those of an equivalent square-well (ESW) fluid of appropriate depth ε , diameter σ and range R. It is shown that the ESW has the same pressure as the fluid of interest. Hence the THEOS of any simple fluid takes the form of a SW EOS of the given ε , σ and R. The theory is applied to a Lennard-Jones (LJ) system in a first-order perturbation. The mapping equation have a physical solution for densities where the SW EOS is accurate; the resulting LJ TEOS agrees very well with the results of computer simulations, and compares favorably with the recent TEOS developed by Song and Mason. (Author). 17 refs, 7 figs, 1 tab

  14. 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

  15. New integrable model of quantum field theory in the state space with indefinite metric

    International Nuclear Information System (INIS)

    Makhankov, V.G.; Pashaev, O.K.

    1981-01-01

    The system of coupled nonlinear Schroedinger eqs. (NLS) with noncompact internal symmetry group U(p, q) is considered. It describes in quasiclassical limit the system of two ''coloured'' Bose-gases with point-like interaction. The structure of tran-sition matrix is studied via the spectral transform (ST) (in-verse method). The Poisson brackets of the elements of this matrix and integrals of motion it generates are found. The theory under consideration may be put in the corresponding quantum field theory in the state vector space with indefinite metric. The so-called R matrix (Faddeev) and commutation relations for the transition matrix elements are also obtained, which implies the model to be investigated with the help of the quantum version of ST

  16. 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

  17. Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States.

    Science.gov (United States)

    Chen, Zehua; Zhang, Du; Jin, Ye; Yang, Yang; Su, Neil Qiang; Yang, Weitao

    2017-09-21

    To describe static correlation, we develop a new approach to density functional theory (DFT), which uses a generalized auxiliary system that is of a different symmetry, such as particle number or spin, from that of the physical system. The total energy of the physical system consists of two parts: the energy of the auxiliary system, which is determined with a chosen density functional approximation (DFA), and the excitation energy from an approximate linear response theory that restores the symmetry to that of the physical system, thus rigorously leading to a multideterminant description of the physical system. The electron density of the physical system is different from that of the auxiliary system and is uniquely determined from the functional derivative of the total energy with respect to the external potential. Our energy functional is thus an implicit functional of the physical system density, but an explicit functional of the auxiliary system density. We show that the total energy minimum and stationary states, describing the ground and excited states of the physical system, can be obtained by a self-consistent optimization with respect to the explicit variable, the generalized Kohn-Sham noninteracting density matrix. We have developed the generalized optimized effective potential method for the self-consistent optimization. Among options of the auxiliary system and the associated linear response theory, reformulated versions of the particle-particle random phase approximation (pp-RPA) and the spin-flip time-dependent density functional theory (SF-TDDFT) are selected for illustration of principle. Numerical results show that our multireference DFT successfully describes static correlation in bond dissociation and double bond rotation.

  18. 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

  19. 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.

  20. Divergence of Cs-137 sources fluence used in brachytherapy

    International Nuclear Information System (INIS)

    Vianello, E.A.; Almeida, C.E. de

    1998-01-01

    In this work the experimental determination of correction factor for fluence divergence (kln) of linear Cs-137 sources CDCS J4, with Farmer ionization chamber model 2571 in a central and perpendicular plan to source axis, for distances range from 1 to 7 cm., has been presented. The experimental results were compared to calculating by Kondo and Randolph (1960) isotropic theory and Bielajew (1990) anisotropic theory. (Author)

  1. Present status in {sup 137}Cs contamination in the marine biota along the Pacific coast of eastern Japan derived from a dynamic biological model simulation following the Fukushima accident - A state and problem in {sup 137}Cs contamination in the marine biota along the Pacific coast of eastern Japan derived from the dynamic biological model simulation after the Fukushima accident - A state and problem in {sup 137}Cs contamination in the marine biota along the Pacific coast of eastern Japan derived from the dynamic biological model simulation after the Fukushima accident

    Energy Technology Data Exchange (ETDEWEB)

    Tateda, Y.; Tsumune, D.; Tsubono, K.; Misumi, K. [Environmental Science Research Laboratory, CRIEPI, 1646, Abiko, Chiba, 270-1194 (Japan); Yamada, M. [Institute of radiation Emergency Medicine, Hirosaki University, 66-1 Hon-cho, Bunkyo, Hirosaki, Aomori, 036-8564 (Japan); Kanda, J.; Ishimaru, T. [Tokyo University of Marine Science and Technology, 4-5-7, Konan, Minato, Tokyo, 108-8477 (Japan)

    2014-07-01

    To understand the radioactive matter contamination of coastal biota in case of accidental release to the environment, the {sup 137}Cs levels in coastal biota around the Fukushima were reconstructed by dynamic model simulating non-equilibrated radioactive Cs transfer between seawater and organisms. Since, there is a disagreement between simulated radioactive Cs levels and observed concentrations in benthic organisms, being possibly attributable to the additional contamination source from sediment environment (Tateda et al. 2013), the {sup 137}Cs levels in organisms habituated not close to the sediment are calculated. Using the reconstructed {sup 137}Cs levels in seawater including atmospheric input and direct leakage after 1/March/2011 till 31/December/2012, {sup 137}Cs levels in sedentary organisms such as macro algae, bivalve and surface swimming plankton feeding fish e.g. as white bait were calculated along the Pacific Ocean coastal area of the Eastern Japan. The simulated temporal space distribution of the {sup 137}Cs levels in macro algae, algae feeding invertebrates, coastal bivalves, were generally agreed in the observed temporal profiles corresponding to the same food habitat organisms collected, while the magnitude of the {sup 137}Cs levels were several times lower than observed concentrations. Since the simulated reconstructed seawater levels are only verified by measured values after direct leakage, thus initial levels before the liquid release may be expected to be higher reconstructed level by simulation. The organisms are continuously exposed to initial contaminated seawater, reflecting actual seawater level increase in seawater, thus there may be possible deficit of initial source estimation in coastal surface water e.g. contribution from fine debris deposition to seaward from hydrogen explosion. In other word as shown in overall pushing up measured level compared to reconstructed level in organism, it also suggests the re-distributed {sup 137}Cs

  2. High Temperature NMR Studies of the Glass-Crystal Transition in the Cs2S2O7-V2O5 System

    DEFF Research Database (Denmark)

    Lapina, Olga B.; Terskikh, Viktor V.; Shubin, Aleksander A.

    1997-01-01

    133Cs and 51V NMR spectra have been recorded of Cs2S2O7 and the catalytically important Cs2S2O7-V2O5 mixtures in the temperature range 20 - 550 C. A high mobility of Cs+ in the solid Cs2S2O7 was observed. The transformation from glassy state to crystalline state was investigated for the compositi...

  3. Using corresponding state theory to obtain intermolecular potentials to calculate pure liquid shock Hugoniots

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, M.L.

    1997-12-01

    Determination of product species, equations-of-state (EOS) and thermochemical properties of high explosives and pyrotechnics remains a major unsolved problem. Although, empirical EOS models may be calibrated to replicate detonation conditions within experimental variability (5--10%), different states, e.g. expansion, may produce significant discrepancy with data if the basic form of the EOS model is incorrect. A more physically realistic EOS model based on intermolecular potentials, such as the Jacobs Cowperthwaite Zwisler (JCZ3) EOS, is needed to predict detonation states as well as expanded states. Predictive capability for any EOS requires a large species data base composed of a wide variety of elements. Unfortunately, only 20 species have known JCZ3 molecular force constants. Of these 20 species, only 10 have been adequately compared to experimental data such as molecular scattering or shock Hugoniot data. Since data in the strongly repulsive region of the molecular potential is limited, alternative methods must be found to deduce force constants for a larger number of species. The objective of the present study is to determine JCZ3 product species force constants by using a corresponding states theory. Intermolecular potential parameters were obtained for a variety of gas species using a simple corresponding states technique with critical volume and critical temperature. A more complex, four parameter corresponding state method with shape and polarity corrections was also used to obtain intermolecular potential parameters. Both corresponding state methods were used to predict shock Hugoniot data obtained from pure liquids. The simple corresponding state method is shown to give adequate agreement with shock Hugoniot data.

  4. 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

  5. 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.

  6. 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.

  7. Using Social Network Theory to Influence the Development of State and Local Primary Prevention Capacity-Building Teams

    Science.gov (United States)

    Cook-Craig, Patricia G.

    2010-01-01

    This article examines the role that social network theory and social network analysis has played in assessing and developing effective primary prevention networks across a southeastern state. In 2004 the state began an effort to develop a strategic plan for the primary prevention of violence working with local communities across the state. The…

  8. The radiation chemistry of the Cs-7SB modifier used in Cs and Sr extraction

    International Nuclear Information System (INIS)

    Swancutt, Katy L.; Cullen, Thomas D.; Mezyk, Stephen P.; Elias, Gracy; Bauer, William F.; Peterman, Dean R.; Riddle, Catherine L.; Ball, R. Duane; Mincher, Bruce J.; Muller, James J.

    2011-01-01

    The compound 1-(2,2,3,3,-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol, also called Cs-7SB, is used as a solvent modifier in formulations containing calixarenes and crown ethers for cesium and/or strontium extraction from nuclear waste solutions. The compound solvates complexes of both metals and concentration decreases result in lowered extraction efficiency for both. The use of Cs-7SB in nuclear solvent extraction ensures that it will be exposed to high radiation doses, and thus its radiation chemical robustness is a matter of interest in the design of extraction systems employing it. The behavior of the compound in irradiated solution, both in the presence and absence of a nitric acid aqueous phase was investigated here using steady state and pulsed radiolysis techniques. The rate constants for the aqueous reactions of Cs-7SB with H, OH, NO 3 and NO 2 radicals are reported. UPLC-UV-MS results were used to identify major products of the radiolysis of Cs-7SB in contact with nitric acid, and revealed the production of hydroxylated nitro-derivatives. Reaction mechanisms are proposed and it is concluded that the aryl ether configuration of this molecule makes it especially susceptible to nitration in the presence of radiolytically-produced nitrous acid. Fluoride yields are also given under various conditions.

  9. The Evolution of the Theory and Practice of State Regulation of Addictive Goods Markets

    Directory of Open Access Journals (Sweden)

    Roman Yuryevich Skokov

    2016-03-01

    Full Text Available The article discusses the evolution of state regulation of the market of addictive goods and services in the context of the periodization of ideas about the role of the state in the economy in general, in historical and economic era, in the formation of the species of addictive goods markets. In the age of mercantilism the sphere of regulation of addictive goods markets was not the subject of attention of economists, but in practice there is an idea of the need for state protectionism. During its criticism in the framework of the theory of physiocrats and in the beginning of the classical school, alcohol products become a subject of research of economists, as the major source of budgetary funds. The abolition of serfdom, the development of private industrial activity, changing the farming tax system to the excise tax, indicate the penetration of traditional liberal principles in domestic economy in the field of addictive goods. The German historical schools focused on the active role of the state with respect to national peculiarities of the economy, found support and development in the works of Russian scientists that support the alcohol and tobacco monopoly. In the Soviet period the principles of Marxist political economy were formed on the basis of total nationalization of production and distribution of allowed addictive goods. The margin school is characterized by psychological interpretation of economic processes in the field of addictive goods under the conditions of perfect competition, in particular the role of consumers in the pricing. In the period of theoretical struggle of monetarism against keynesianism, which coincided with the drug boom, there were areas of economics of crime and punishment, drugs. In the neoliberalism period the antiprohibitionist movement was formed in the field of addictive goods. Changing some postulates of neoclassical economics by neo-institutional economic theory contributed to the development of empirical

  10. Experimental and theoretical examples of the value and limitations of transition state theory

    International Nuclear Information System (INIS)

    Golden, D.M.

    1979-01-01

    Value and limitations of transition-state theory (TST) are reviewed. TST analyses of the temperature dependence of the ''direct'' reactions CH 3 + CH 3 CHO → CH 4 + CH 3 CO (1) and O + CH 4 → OH + CH 3 (2) are presented in detail, and other examples of TST usefulness are recalled. Limitations are discussed for bimolecular processes in terms of ''complex'' vs ''direct'' mechanisms. The reaction OH + CO → CO 2 + H is discussed in this context. Limitations for unimolecular processes seem to arise only for simple bond fission processes, and recent advances are noted. 2 figures, 5 tables

  11. Decoherence and thermalization of a pure quantum state in quantum field theory.

    Science.gov (United States)

    Giraud, Alexandre; Serreau, Julien

    2010-06-11

    We study the real-time evolution of a self-interacting O(N) scalar field initially prepared in a pure, coherent quantum state. We present a complete solution of the nonequilibrium quantum dynamics from a 1/N expansion of the two-particle-irreducible effective action at next-to-leading order, which includes scattering and memory effects. We demonstrate that, restricting one's attention (or ability to measure) to a subset of the infinite hierarchy of correlation functions, one observes an effective loss of purity or coherence and, on longer time scales, thermalization. We point out that the physics of decoherence is well described by classical statistical field theory.

  12. Experimental and theoretical examples of the value and limitations of transition state theory

    Science.gov (United States)

    Golden, D. M.

    1979-01-01

    Value and limitations of transition-state theory (TST) are reviewed. TST analyses of the temperature dependence of the 'direct' reactions CH3 + CH3CHO yields CH4 + CH3CO(1) and O + CH4 yields OH + CH3(2) are presented in detail, and other examples of TST usefulness are recalled. Limitations are discussed for bimolecular processes in terms of 'complex' vs. 'direct' mechanisms. The reaction OH + CO yields CO2 + H is discussed in this context. Limitations for unimolecular processes seem to arise only for simple bond fission processes, and recent advances are noted.

  13. Variational transition state theory for multidimensional activated rate processes in the presence of anisotropic friction

    Science.gov (United States)

    Berezhkovskii, Alexander M.; Frishman, Anatoli M.; Pollak, Eli

    1994-09-01

    Variational transition state theory (VTST) is applied to the study of the activated escape of a particle trapped in a multidimensional potential well and coupled to a heat bath. Special attention is given to the dependence of the rate constant on the friction coefficients in the case of anisotropic friction. It is demonstrated explicitly that both the traditional as well as the nontraditional scenarios for the particle escape are recovered uniformly within the framework of VTST. Effects such as saddle point avoidance and friction dependence of the activation energy are derived from VTST using optimized planar dividing surfaces.

  14. Dimension shifting operators and null states in 2D conformally invariant field theories

    International Nuclear Information System (INIS)

    Gervais, J.L.

    1986-01-01

    We discuss the existence and properties of differential operators which transform covariant operators into covariant operators of different weights in two-dimensional conformally invariant field theories. We relate them to null states and the vanishing of the Kac determinant in representations of the conformal algebra, and to the existence of differential equations for Green functions of covariant operators. In this framework, we rederive the essential features of our earlier work on dual models with shifted intercept, which in euclidean space-time gives explicit solutions of the conformal bootstrap equations where all operators are marginal. (orig.)

  15. Microscopic structure of a new type of collective excitation in odd-mass Mo, Ru, I, Cs and La isotopes

    International Nuclear Information System (INIS)

    Kuriyama, Atsushi; Okamoto, Ryoji; Marumori, Toshio; Matsuyanagi, Kenichi.

    1975-01-01

    With the aid of microscopic theory of collective excitations in spherical odd-mass nuclei proposed by Kuriyama, Marumori and Matsuyanagi, structures of low-lying collective 5/2 + states in odd-mass I, Cs and La isotopes and of collective 3/2 + states in odd-mass Mo and Ru isotopes are investigated. These collective 5/2 + and 3/2 + states, which are hard to understand within the framework of the conventional quasi-particle-phonon-coupling theory, are identified as a new kind of fermion-type collective excitation mode. The change in microscopic structure of these states depending on the mass number is also investigated in relation with the shell structure. (auth.)

  16. Divergence of Cs-137 sources fluence used in brachytherapy; Divergencia da fluencia de fontes de Cs-137 usadas em braquiterapia

    Energy Technology Data Exchange (ETDEWEB)

    Vianello, E.A.; Almeida, C.E. de [Laboratorio de Ciencias Radiologicas- LCR-DBB (UERJ). R. Sao Francisco Xavier, 524- Pav. HLC, sala 136 terreo- CEP 20.550- 013. Rio de Janeiro (Brazil)

    1998-12-31

    In this work the experimental determination of correction factor for fluence divergence (kln) of linear Cs-137 sources CDCS J4, with Farmer ionization chamber model 2571 in a central and perpendicular plan to source axis, for distances range from 1 to 7 cm., has been presented. The experimental results were compared to calculating by Kondo and Randolph (1960) isotropic theory and Bielajew (1990) anisotropic theory. (Author)

  17. 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

  18. 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…

  19. Accurate Ground-State Energies of Solids and Molecules from Time-Dependent Density-Functional Theory

    DEFF Research Database (Denmark)

    Olsen, Thomas; Thygesen, Kristian Sommer

    2014-01-01

    We demonstrate that ground-state energies approaching chemical accuracy can be obtained by combining the adiabatic-connection fluctuation-dissipation theorem with time-dependent densityfunctional theory. The key ingredient is a renormalization scheme, which eliminates the divergence...

  20. Electronic structure and optical properties of Cs2HgCl4: DFT calculations and X-ray photoelectron spectroscopy measurements

    Science.gov (United States)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

    2016-10-01

    A high-quality single crystal of cesium mercury tetrabromide, Cs2HgCl4, was synthesized by using the vertical Bridgman-Stockbarger method and its electronic structure was studied from both experimental and theoretical viewpoints. In particular, X-ray photoelectron spectra were measured for both pristine and Ar+ ion-bombarded Cs2HgCl4 single crystal surfaces. The present XPS measurements indicate that the Cs2HgCl4 single crystal surface is sensitive with respect to Ar+ ion-bombardment: such a treatment changes substantially its elemental stoichiometry. With the aim of exploring total and partial densities of states within the valence band and conduction band regions of the Cs2HgCl4 compound, band-structure calculations based on density functional theory (DFT) using the augmented plane wave + local orbitals (APW + lo) method as incorporated within the WIEN2k package are performed. The calculations indicate that the Cl 3p states are the principal contributors in the upper portion of the valence band, while the Hg 5d and Cs 5p states dominate in its lower portion. In addition, the calculations allow for concluding that the unoccupied Cl p and Hg s states are the main contributors to the bottom of the conduction band. Furthermore, main optical characteristics of Cs2HgCl4, namely dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity, are elucidated based on the DFT calculations.

  1. Semiclassical theory of the tunneling anomaly in partially spin-polarized compressible quantum Hall states

    Science.gov (United States)

    Chowdhury, Debanjan; Skinner, Brian; Lee, Patrick A.

    2018-05-01

    Electron tunneling into a system with strong interactions is known to exhibit an anomaly, in which the tunneling conductance vanishes continuously at low energy due to many-body interactions. Recent measurements have probed this anomaly in a quantum Hall bilayer of the half-filled Landau level, and shown that the anomaly apparently gets stronger as the half-filled Landau level is increasingly spin polarized. Motivated by this result, we construct a semiclassical hydrodynamic theory of the tunneling anomaly in terms of the charge-spreading action associated with tunneling between two copies of the Halperin-Lee-Read state with partial spin polarization. This theory is complementary to our recent work (D. Chowdhury, B. Skinner, and P. A. Lee, arXiv:1709.06091) where the electron spectral function was computed directly using an instanton-based approach. Our results show that the experimental observation cannot be understood within conventional theories of the tunneling anomaly, in which the spreading of the injected charge is driven by the mean-field Coulomb energy. However, we identify a qualitatively new regime, in which the mean-field Coulomb energy is effectively quenched and the tunneling anomaly is dominated by the finite compressibility of the composite Fermion liquid.

  2. Stochastic theory of nonequilibrium steady states. Part II: Applications in chemical biophysics

    International Nuclear Information System (INIS)

    Ge Hao; Qian Min; Qian Hong

    2012-01-01

    The mathematical theory of nonequilibrium steady state (NESS) has a natural application in open biochemical systems which have sustained source(s) and sink(s) in terms of a difference in their chemical potentials. After a brief introduction in Section , in Part II of this review, we present the widely studied biochemical enzyme kinetics, the workhorse of biochemical dynamic modeling, in terms of the theory of NESS (Section ). We then show that several phenomena in enzyme kinetics, including a newly discovered activation–inhibition switching (Section ) and the well-known non-Michaelis–Menten-cooperativity (Section ) and kinetic proofreading (Section ), are all consequences of the NESS of driven biochemical systems with associated cycle fluxes. Section is focused on nonlinear and nonequilibrium systems of biochemical reactions. We use the phosphorylation–dephosphorylation cycle (PdPC), one of the most important biochemical signaling networks, as an example (Section ). It starts with a brief introduction of the Delbrück–Gillespie process approach to mesoscopic biochemical kinetics (Sections ). We shall discuss the zeroth-order ultrasensitivity of PdPC in terms of a new concept — the temporal cooperativity (Sections ), as well as PdPC with feedback which leads to biochemical nonlinear bistability (Section ). Also, both are nonequilibrium phenomena. PdPC with a nonlinear feedback is kinetically isomorphic to a self-regulating gene expression network, hence the theory of NESS discussed here could have wide applications to many other biochemical systems.

  3. Relative entropy of excited states in two dimensional conformal field theories

    Energy Technology Data Exchange (ETDEWEB)

    Sárosi, Gábor [Department of Theoretical Physics, Institute of Physics, Budapest University of Technology,Budapest, H-1521 (Hungary); Ugajin, Tomonori [Kavli Institute for Theoretical Physics, University of California,Santa Barbara,CA 93106 (United States)

    2016-07-21

    We study the relative entropy and the trace square distance, both of which measure the distance between reduced density matrices of two excited states in two dimensional conformal field theories. We find a general formula for the relative entropy between two primary states with the same conformal dimension in the limit of a single small interval and find that in this case the relative entropy is proportional to the trace square distance. We check our general formulae by calculating the relative entropy between two generalized free fields and the trace square distance between the spin and disorder operators of the critical Ising model. We also give the leading term of the relative entropy in the small interval expansion when the two operators have different conformal dimensions. This turns out to be universal when the CFT has no primaires lighter than the stress tensor. The result reproduces the previously known special cases.

  4. Transition state theory approach to polymer escape from a one dimensional potential well.

    Science.gov (United States)

    Mökkönen, Harri; Ikonen, Timo; Ala-Nissila, Tapio; Jónsson, Hannes

    2015-06-14

    The rate of escape of an ideal bead-spring polymer in a symmetric double-well potential is calculated using transition state theory (TST) and the results compared with direct dynamical simulations. The minimum energy path of the transitions becomes flat and the dynamics diffusive for long polymers making the Kramers-Langer estimate poor. However, TST with dynamical corrections based on short time trajectories started at the transition state gives rate constant estimates that agree within a factor of two with the molecular dynamics simulations over a wide range of bead coupling constants and polymer lengths. The computational effort required by the TST approach does not depend on the escape rate and is much smaller than that required by molecular dynamics simulations.

  5. The theory and experiment of solute migration caused by excited state absorptions

    International Nuclear Information System (INIS)

    Xiao, Jin; Ying-Lin, Song; Yu-Xiao, Wang; Min, Shui; Chang-Wei, Li; Jun-Yi, Yang; Xue-Ru, Zhang; Kun, Yang

    2010-01-01

    Nonsymmetrical transition from reverse-saturable absorption (RSA) to saturable absorption (SA) caused by excited state absorption induced mass transport of the CuPcTs dissolved in dimethyl sulfoxide is observed in an open aperture Z-scan experiment with a 21-ps laser pulse. The nonsymmetrical transition from RSA to SA is ascribed neither to saturation of excited state absorption nor to thermal induced mass transport, the so-called Soret effect. In our consideration, strong nonlinear absorption causes the rapid accumulation of the non-uniform kinetic energy of the solute molecules. The non-uniform kinetic field in turn causes the migration of the solute molecules. Additionally, an energy-gradient-induced mass transport theory is presented to interpret the experimental results, and the theoretical calculations are also taken to fit our experimental results. (classical areas of phenomenology)

  6. Life politics, nature and the state: Giddens' sociological theory and The Politics of Climate Change.

    Science.gov (United States)

    Thorpe, Charles; Jacobson, Brynna

    2013-03-01

    Anthony Giddens' The Politics of Climate Change represents a significant shift in the way in which he addresses ecological politics. In this book, he rejects the relevance of environmentalism and demarcates climate-change policy from life politics. Giddens addresses climate change in the technocratic mode of simple rather than reflexive modernization. However, Giddens' earlier sociological theory provides the basis for a more reflexive understanding of climate change. Climate change instantiates how, in high modernity, the existential contradiction of the human relationship with nature returns in new form, expressed in life politics and entangled with the structural contradictions of the capitalist state. The interlinking of existential and structural contradiction is manifested in the tension between life politics and the capitalist nation-state. This tension is key for understanding the failures so far of policy responses to climate change. © London School of Economics and Political Science 2013.

  7. Entanglement spectrum and boundary theories with projected entangled-pair states

    Energy Technology Data Exchange (ETDEWEB)

    Cirac, Ignacio [Max-Planck-Institut fuer Quantenoptik, Garching (Germany); Poilblanc, Didier [Laboratoire de Physique Theorique, C.N.R.S. and Universite de Toulouse, Toulouse (France); Schuch, Norbert [California Institute of Technology, Pasadena, CA (United States); Verstraete, Frank [Vienna Univ. (Austria)

    2012-07-01

    In many physical scenarios, close relations between the bulk properties of quantum systems and theories associated to their boundaries have been observed. In this work, we provide an exact duality mapping between the bulk of a quantum spin system and its boundary using Projected Entangled Pair States (PEPS). This duality associates to every region a Hamiltonian on its boundary, in such a way that the entanglement spectrum of the bulk corresponds to the excitation spectrum of the boundary Hamiltonian. We study various models and find that a gapped bulk phase with local order corresponds to a boundary Hamiltonian with local interactions, whereas critical behavior in the bulk is reflected on a diverging interaction length of the boundary Hamiltonian. Furthermore, topologically ordered states yield non-local Hamiltonians. As our duality also associates a boundary operator to any operator in the bulk, it in fact provides a full holographic framework for the study of quantum many-body systems via their boundary.

  8. 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.

  9. Can quantum transition state theory be defined as an exact t = 0+ limit?

    Science.gov (United States)

    Jang, Seogjoo; Voth, Gregory A.

    2016-02-01

    The definition of the classical transition state theory (TST) as a t → 0+ limit of the flux-side time correlation function relies on the assumption that simultaneous measurement of population and flux is a well defined physical process. However, the noncommutativity of the two measurements in quantum mechanics makes the extension of such a concept to the quantum regime impossible. For this reason, quantum TST (QTST) has been generally accepted as any kind of quantum rate theory reproducing the TST in the classical limit, and there has been a broad consensus that no unique QTST retaining all the properties of TST can be defined. Contrary to this widely held view, Hele and Althorpe (HA) [J. Chem. Phys. 138, 084108 (2013)] recently suggested that a true QTST can be defined as the exact t → 0+ limit of a certain kind of quantum flux-side time correlation function and that it is equivalent to the ring polymer molecular dynamics (RPMD) TST. This work seeks to question and clarify certain assumptions underlying these suggestions and their implications. First, the time correlation function used by HA as a starting expression is not related to the kinetic rate constant by virtue of linear response theory, which is the first important step in relating a t = 0+ limit to a physically measurable rate. Second, a theoretical analysis calls into question a key step in HA's proof which appears not to rely on an exact quantum mechanical identity. The correction of this makes the true t = 0+ limit of HA's QTST different from the RPMD-TST rate expression, but rather equal to the well-known path integral quantum transition state theory rate expression for the case of centroid dividing surface. An alternative quantum rate expression is then formulated starting from the linear response theory and by applying a recently developed formalism of real time dynamics of imaginary time path integrals [S. Jang, A. V. Sinitskiy, and G. A. Voth, J. Chem. Phys. 140, 154103 (2014)]. It is shown

  10. Thermal, conductivity, NMR, and Raman spectroscopic measurements and phase diagram of the Cs2S2O7-CsHSO4 system

    DEFF Research Database (Denmark)

    Rasmussen, Søren Birk; Hama, Hind; Lapina, Olga

    2003-01-01

    The conductivity of the binary system CS2S2O7-CsHSO4 has been measured at 20 different molten compositions in the full composition range and in the temperature range 430-750 K. From the obtained liquidus-solidus phase transition temperatures, the phase diagram has been constructed. It is of the s......The conductivity of the binary system CS2S2O7-CsHSO4 has been measured at 20 different molten compositions in the full composition range and in the temperature range 430-750 K. From the obtained liquidus-solidus phase transition temperatures, the phase diagram has been constructed...... from the NMR measurements on CsHSO4, CS2S2O7, and Cs2S2O7-CsHSO4 mixtures. For 11 selected compositions covering the entire composition range of the CS2S2O7-CsHSO4 binary system, the conductivity of the molten state has been expressed by equations of the form k(X) = A(X) + B(X)(T - T-m) + C(X)(T - T...

  11. Conversations about mental states and theory of mind development during middle childhood: A training study.

    Science.gov (United States)

    Bianco, Federica; Lecce, Serena; Banerjee, Robin

    2016-09-01

    Despite 30years of productive research on theory of mind (ToM), we still know relatively little about variables that influence ToM development during middle childhood. Recent experimental studies have shown that conversations about the mind affect ToM abilities, but they have not explored the mechanisms underlying this developmental effect. In the current study, we examined two potential mechanisms through which conversations about mental states are likely to influence ToM: an increased frequency of references to mental states when explaining behavior and an increased accuracy of mental-state attributions. To this aim, we conducted a training study in which 101 children were assigned to either an intervention condition or a control condition. The conversation-based intervention was made up of four sessions scheduled over 2weeks. Children completed a battery of assessments before and after the intervention as well as 2months later. The groups were equivalent at Time 1 (T1) for age, family affluence, vocabulary, and executive functions. The ToM group showed an improvement in ToM skills (as evaluated on both the practiced tasks and a transfer task). Mediation analyses demonstrated that the accuracy of mental-state attributions, but not the mere frequency of mental-state references, mediated the positive effect of conversations about the mind on ToM development. Our results indicate that conversational experience can enhance mental-state reasoning not by simply drawing children's attention to mental states but rather by scaffolding a mature understanding of social situations. Copyright © 2015 Elsevier Inc. All rights reserved.

  12. Dreamweaver CS55 The Missing Manual

    CERN Document Server

    McFarland, David

    2011-01-01

    Dreamweaver is the tool most widely used for designing and managing professional-looking websites, but it's a complex program. That's where Dreamweaver CS5.5: The Missing Manual comes in. With its jargon-free explanations, 13 hands-on tutorials, and savvy advice from Dreamweaver expert Dave McFarland, you'll master this versatile program with ease. Get A to Z guidance. Go from building your first web page to creating interactive, database-driven sites.Build skills as you learn. Apply your knowledge through tutorials and downloadable practice files.Create a state-of-the-art website. Use powerf

  13. Extending unified-theory-of-reinforcement neural networks to steady-state operant behavior.

    Science.gov (United States)

    Calvin, Olivia L; McDowell, J J

    2016-06-01

    The unified theory of reinforcement has been used to develop models of behavior over the last 20 years (Donahoe et al., 1993). Previous research has focused on the theory's concordance with the respondent behavior of humans and animals. In this experiment, neural networks were developed from the theory to extend the unified theory of reinforcement to operant behavior on single-alternative variable-interval schedules. This area of operant research was selected because previously developed neural networks could be applied to it without significant alteration. Previous research with humans and animals indicates that the pattern of their steady-state behavior is hyperbolic when plotted against the obtained rate of reinforcement (Herrnstein, 1970). A genetic algorithm was used in the first part of the experiment to determine parameter values for the neural networks, because values that were used in previous research did not result in a hyperbolic pattern of behavior. After finding these parameters, hyperbolic and other similar functions were fitted to the behavior produced by the neural networks. The form of the neural network's behavior was best described by an exponentiated hyperbola (McDowell, 1986; McLean and White, 1983; Wearden, 1981), which was derived from the generalized matching law (Baum, 1974). In post-hoc analyses the addition of a baseline rate of behavior significantly improved the fit of the exponentiated hyperbola and removed systematic residuals. The form of this function was consistent with human and animal behavior, but the estimated parameter values were not. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. 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).

  15. Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice–Ramsperger–Kassel theory

    Science.gov (United States)

    Bao, Junwei Lucas; Zhang, Xin

    2016-01-01

    Bond dissociation is a fundamental chemical reaction, and the first principles modeling of the kinetics of dissociation reactions with a monotonically increasing potential energy along the dissociation coordinate presents a challenge not only for modern electronic structure methods but also for kinetics theory. In this work, we use multifaceted variable-reaction-coordinate variational transition-state theory (VRC-VTST) to compute the high-pressure limit dissociation rate constant of tetrafluoroethylene (C2F4), in which the potential energies are computed by direct dynamics with the M08-HX exchange correlation functional. To treat the pressure dependence of the unimolecular rate constants, we use the recently developed system-specific quantum Rice–Ramsperger–Kassel theory. The calculations are carried out by direct dynamics using an exchange correlation functional validated against calculations that go beyond coupled-cluster theory with single, double, and triple excitations. Our computed dissociation rate constants agree well with the recent experimental measurements. PMID:27834727

  16. Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory

    International Nuclear Information System (INIS)

    Mrugalla, Florian; Kast, Stefan M

    2016-01-01

    Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute–solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute–solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems. (paper)

  17. State of the science: does the theory of maternal role attainment apply to African American motherhood?

    Science.gov (United States)

    Fouquier, Katherine Ferrell

    2013-01-01

    This article reviews the current state of knowledge of the theory of maternal role attainment (MRA) and its relevance in describing African American motherhood. EBSCOhost Research Databases that included PubMed, CINAHL plus, MEDLINE, PsycINFO, SCOPUS, and Web of Science were searched for journal articles that examined maternal identity and MRA. Keyword searches included maternal identity, maternal role attainment, becoming a mother, prenatal attachment, maternal-fetal attachment, and maternal-infant attachment. Inclusion criteria for this review were published journal articles of studies conducted in the United States, with a clear delineation of the theoretical framework of MRA. Journal articles that measured MRA among women with depression or medically fragile infants were excluded. Two hundred and twelve studies were reviewed; 25 studies, published between 1975 and 2007, met the inclusion criteria. Nine articles described the theory of MRA, 11 articles measured variables thought to influence MRA, and 6 articles described maternal-fetal attachment, a construct of MRA. Studies were reviewed, categorized, and analyzed to determine current knowledge of how the theory of MRA describes African American motherhood. Categories included studies describing the theoretical framework of maternal identity and MRA, studies measuring key variables thought to impact MRA, and studies measuring maternal-fetal attachment and maternal-infant attachment. The studies were limited by homogenous samples of upper-middle-class white women and low-income, single, African American adolescents. Study results of MRA cannot be generalized to African American women. Further research is essential to identify attributes influencing MRA, specifically among larger samples of African American women with demographics similar to that of the white populations that have been included in studies thus far. © 2013 by the American College of Nurse-Midwives.

  18. Study of {sup 137} Cs contamination in Rochedo Reservoir, Meia Ponte river (Goias State) from the radiologic accident in Goiania; Estudo da contaminacao por {sup 137} Cs na Represa do Rochedo, Rio Meia Ponte (GO), proveniente do acidente radiologico de Goiania

    Energy Technology Data Exchange (ETDEWEB)

    De Luca, Marcia Emilia M. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Inst. de Biofisica; Godoy, Jose Marcos O. [Instituto de Radioprotecao e Dosimetria (IRD), Rio de Janeiro, RJ (Brazil)

    1997-12-31

    Through {sup 137} Cs concentration profiles in sediments from Rochedo Reservoir, it was possible to estimate the amount of this radionuclide (94 GBq) which has reached the Meia Ponte River system, as a consequence of the Goiania radiological accident in 1987. Based on in-situ measurements as well as on laboratory studies, the influence of N H{sub 4}{sup +} concentration on the K{sub d} value was also investigated. The results have shown that for high N H{sub 4}{sup +} concentrations there is a clear correlation between both parameters. It was also observed the influence on the aging effect on the {sup 137} Cs release from the sediment, as well as of the illite content in it. (author) 9 refs., 6 figs.

  19. Elastic properties of Cs2HgBr4 and Cs2CdBr4 crystals

    International Nuclear Information System (INIS)

    Kityk, A.V.; Zadorozhna, A.V.; Shchur, Y.I.; Martynyuk-Lototska, Y.I.; Burak, Y.; Vlokh, O.G.

    1998-01-01

    Using ultrasonic velocity measurements, all components of the elastic constant matrix C ij , elastic compliances matrix S ij , and linear compressibility constants matrix K ij of orthorhombic Cs 2 HgBr 4 and Cs 2 CdBr 4 crystals have been determined over a wide temperature range, including the region of the phase transition from the normal to the incommensurate phase. Results obtained are considered within the framework of the phenomenological theory. Preliminary analysis of the acoustical properties at room temperature clearly indicates that both crystals are relatively important materials for acousto-optical applications. Copyright (1998) CSIRO Australia

  20. 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.

  1. Absorption spectra of CsNd(MoO4)2 and CsGd(MoO4)2-Nd3+ crystals in strong magnetic fields

    International Nuclear Information System (INIS)

    Gorban', I.S.; Kozeeva, L.P.; Slobodyanyuk, A.V.; Shevchenko, V.A.

    1987-01-01

    The comparison of the electronic structure of Nd 3+ in CsNd(MoO 4 ) 2 and CsGd(MoO 4 ) 2 - Nd 3+ crystals is made. It is established that in these crystals the activator centers, mainly, of the certain type with the symmetry of the local environment C 2 are formed. The absorption spectra of self-activated CsNd(MoO 4 ) 2 crystal differ from spectra of CsGd(MoO 4 ) 2 - Nd 3+ by the presence of the vibrating structure. The Stark splittings of energy levels of Nd 3+ in the investigated crystalline matrices are more sensitive to the environment effect than the Zeeman ones. The ground state of Nd 3+ ion in CsNd(MoO 4 ) 2 and CsGd(MoO 4 ) 2 molybdates is characterized by the similar values of g-factors

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

    Science.gov (United States)

    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.

  3. Scattering Properties of Ground-State 23Na Vapor Using Generalized Scattering Theory

    Science.gov (United States)

    Al-Harazneh, A. A.; Sandouqa, A. S.; Joudeh, B. R.; Ghassib, H. B.

    2018-04-01

    The scattering properties of ground-state 23Na vapor are investigated within the framework of the Galitskii-Migdal-Feynman formalism. Viewed as a generalized scattering theory, this formalism is used to calculate the medium phase shifts. The scattering properties of the system—the total, viscosity, spin-exchange, and average cross sections—are then computed using these phase shifts according to standard recipes. The total cross section is found to exhibit the Ramsauer-Townsend effect as well as resonance peaks. These peaks are caused by the large difference between the potentials for electronic spin-singlet and spin-triplet states. They represent quasi-bound states in the system. The results obtained for the complex spin-exchange cross sections are particularly highlighted because of their importance in the spectroscopy of the Na2 dimer. So are the results for the scattering lengths pertaining to both singlet and triplet states. Wherever possible, comparison is made with other published results.

  4. Frenkel-Charge-Transfer exciton intermixing theory for molecular crystals with two isolated Frenkel exciton states.

    Science.gov (United States)

    Bondarev, Igor; Popescu, Adrian

    We develop an analytical theory for the intra-intermolecular exciton intermixing in periodic 1D chains of planar organic molecules with two isolated low-lying Frenkel exciton states, typical of copper phthalocyanine (CuPc) and other transition metal phthalocyanine molecules. We formulate the Hamiltonian and use the exact Bogoliubov diagonalization procedure to derive the eigen energy spectrum for the two lowest intramolecular Frenkel excitons coupled to the intermolecular charge transfer (CT) exciton state. By comparing our theoretical spectrum with available experimental CuPc absorption data, we obtain the parameters of the Frenkel-CT exciton intermixing in CuPc thin films. The two Frenkel exciton states here are spaced apart by 0.26 eV, and the charge transfer exciton state is 50 meV above the lowest Frenkel exciton. Both Frenkel excitons are strongly mixed with the CT exciton, showing the coupling constant 0.17 eV in agreement with earlier electron transport experiments. Our results can be used for the proper interpretation of the physical properties of crystalline phthalocyanines. DOE-DE-SC0007117 (I.B.), UNC-GA ROI Grant (A.P.).

  5. Infrared absorption of gaseous ClCS detected with time-resolved Fourier-transform spectroscopy

    International Nuclear Information System (INIS)

    Chu, Li-Kang; Han, Hui-Ling; Lee, Yuan-Pern

    2007-01-01

    A transient infrared absorption spectrum of gaseous ClCS was detected with a step-scan Fourier-transform spectrometer coupled with a multipass absorption cell. ClCS was produced upon irradiating a flowing mixture of Cl 2 CS and N 2 or CO 2 with a KrF excimer laser at 248 nm. A transient band in the region of 1160-1220 cm -1 , which diminished on prolonged reaction, is assigned to the C-S stretching (ν 1 ) mode of ClCS. Calculations with density-functional theory (B3P86 and B3LYP/aug-cc-pVTZ) predict the geometry, vibrational wave numbers, and rotational parameters of ClCS. The rotational contour of the spectrum of ClCS simulated based on predicted rotational parameters agrees satisfactorily with experimental observation; from spectral simulation, the band origin is determined to be at 1194.4 cm -1 . Reaction kinetics involving ClCS, CS, and CS 2 are discussed

  6. HoMuCS - A methodology and architecture for Holonic Multi-cell Control Systems

    DEFF Research Database (Denmark)

    Langer, Gilad

    it in practice. An iterative developmentprocess was used to obtain the empiricalbasis for the research work. This involved development of prototypes aimed at testing the feasibility of the theory and investigating its applicability. The main issue that the prototypes were tested for was their agile performance...... as the hypothesis of the research. Firstly that it is possible to realise holonic systems based on the HMS theory, specifically its reference architecture, and secondly that they are in fact agile. Itpresents the concept of a Holonic Multi-cell Control System system-architecture and corresponding methodology, which...... suggests a solution for realising an agile shop floor control system. The current state of the technological development of the HoMuCS architecture and methodology is described....

  7. State-specific Multi-reference Perturbation Theories with Relaxed Coefficients: Molecular Applications

    Directory of Open Access Journals (Sweden)

    Debashis Mukherjee

    2002-06-01

    Full Text Available Abstract: We present in this paper two new versions of Rayleigh-Schr¨odinger (RS and the Brillouin-Wigner (BW state-specific multi-reference perturbative theories (SSMRPT which stem from our state-specific multi-reference coupled-cluster formalism (SS-MRCC, developed with a complete active space (CAS. They are manifestly sizeextensive and are designed to avoid intruders. The combining coefficients cμ for the model functions φμ are completely relaxed and are obtained by diagonalizing an effective operator in the model space, one root of which is the target eigenvalue of interest. By invoking suitable partitioning of the hamiltonian, very convenient perturbative versions of the formalism in both the RS and the BW forms are developed for the second order energy. The unperturbed hamiltonians for these theories can be chosen to be of both Mφller-Plesset (MP and Epstein-Nesbet (EN type. However, we choose the corresponding Fock operator fμ for each model function φμ, whose diagonal elements are used to define the unperturbed hamiltonian in the MP partition. In the EN partition, we additionally include all the diagonal direct and exchange ladders. Our SS-MRPT thus utilizes a multi-partitioning strategy. Illustrative numerical applications are presented for potential energy surfaces (PES of the ground (1Σ+ and the first delta (1Δ states of CH+ which possess pronounced multi-reference character. Comparison of the results with the corresponding full CI values indicates the efficacy of our formalisms.

  8. 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

  9. Hot metastable state of abnormal matter in relativistic nuclear field theory

    International Nuclear Information System (INIS)

    Glendenning, N.K.

    1987-01-01

    Because of their non-linearity, the field equations of relativistic nuclear field theory admit of additional solutions besides the normal state of matter. One of these is a finite-temperature abnormal phase. Over a narrow range in temperature, matter can exist in the abnormal phase at zero pressure. This is a hot metastable state, for which there is a barrier against decay, because the field configuration is different than in the normal state, the baryon masses are far removed from their vacuum masses, there is an abundance of pairs also far removed from their vacuum masses, and a correspondingly high entropy. The abundance of baryon-antibaryon pairs is the glue that holds this matter together. The signals associated with this novel state are quite unusual. A fragment of such matter will cool by emitting a spectrum of black-body radiation, consisting principally of photons, lepton pairs and pions, rather than by baryon emission, because the latter are far removed from their vacuum masses. If produced at the upper end of its temperature range, a large fraction of the original energy, more than half in the examples studied here, is radiated in this way. The baryons and light elements produced in the eventual decay, after the abnormal matter has cooled to a domain where its pressure becomes positive, will account for only a fraction of the original energy. The energy domain of this state depends sensitively on the coupling constants, and within a reasonable range as determined by nuclear matter properties, can lie in the range of GeV to tens of GeV per nucleon. (orig.)

  10. Friedan-Shenker bundle from Chern-Simons theory

    International Nuclear Information System (INIS)

    Falceto, F.

    1990-01-01

    In this letter we present a proof of the invariance of the space of quantum states of the Chern-Simons (CS) theory in the presence of Wilson lines under parallel transport with respect to the Knizhnik-Zamolodchikov (KZ) connection for the case of a simple, simply connected, finite-dimensional group and genus-zero surface. The proof is based on the polynomial realization of the space of tensors in which these quantum states take values. (orig.)

  11. Electronic states of aryl radical functionalized graphenes: Density functional theory study

    Science.gov (United States)

    Tachikawa, Hiroto; Kawabata, Hiroshi

    2016-06-01

    Functionalized graphenes are known as a high-performance molecular device. In the present study, the structures and electronic states of the aryl radical functionalized graphene have been investigated by the density functional theory (DFT) method to elucidate the effects of functionalization on the electronic states of graphene (GR). Also, the mechanism of aryl radical reaction with GR was investigated. The benzene, biphenyl, p-terphenyl, and p-quaterphenyl radicals [denoted by (Bz) n (n = 1-4), where n means numbers of benzene rings in aryl radical] were examined as aryl radicals. The DFT calculation of GR-(Bz) n (n = 1-4) showed that the aryl radical binds to the carbon atom of GR, and a C-C single bond was formed. The binding energies of aryl radicals to GR were calculated to be ca. 6.0 kcal mol-1 at the CAM-B3LYP/6-311G(d,p) level. It was found that the activation barrier exists in the aryl radical addition: the barrier heights were calculated to be 10.0 kcal mol-1. The electronic states of GR-(Bz) n were examined on the basis of theoretical results.

  12. Family, state, class and solidarity: re-conceptualising intergenerational solidarity through the grounded theory approach.

    Science.gov (United States)

    Timonen, Virpi; Conlon, Catherine; Scharf, Thomas; Carney, Gemma

    2013-09-01

    The relationship between class and intergenerational solidarities in the public and private spheres calls for further conceptual and theoretical development. This article discusses the findings from the first wave of a qualitative longitudinal study entitled Changing Generations , conducted in Ireland in 2011-2012, comprising 100 in-depth interviews with men and women across the age and socioeconomic spectrums. Constructivist grounded theory analysis of the data gives rise to the following postulates: (1) intergenerational solidarity at the family level is strongly contoured by socioeconomic status (SES); (2) intergenerational solidarity evolves as family generations observe each others' practices and adjust their expectations accordingly; (3) intergenerational solidarity within families is also shaped by the public sphere (the welfare state) that generates varying expectations and levels of solidarity regarding State supports for different age groups, again largely dependent on SES; (4) the liberal welfare state context, especially at a time of economic crisis, enhances the significance of intergenerational solidarity within families. We conclude by calling for research that is attuned to age/generation, gender and class, and how these operate across the family and societal levels.

  13. 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.

  14. Atypical frontal-posterior synchronization of Theory of Mind regions in autism during mental state attribution.

    Science.gov (United States)

    Kana, Rajesh K; Keller, Timothy A; Cherkassky, Vladimir L; Minshew, Nancy J; Just, Marcel Adam

    2009-01-01

    This study used fMRI to investigate the functioning of the Theory of Mind (ToM) cortical network in autism during the viewing of animations that in some conditions entailed the attribution of a mental state to animated geometric figures. At the cortical level, mentalizing (attribution of metal states) is underpinned by the coordination and integration of the components of the ToM network, which include the medial frontal gyrus, the anterior paracingulate, and the right temporoparietal junction. The pivotal new finding was a functional underconnectivity (a lower degree of synchronization) in autism, especially in the connections between frontal and posterior areas during the attribution of mental states. In addition, the frontal ToM regions activated less in participants with autism relative to control participants. In the autism group, an independent psychometric assessment of ToM ability and the activation in the right temporoparietal junction were reliably correlated. The results together provide new evidence for the biological basis of atypical processing of ToM in autism, implicating the underconnectivity between frontal regions and more posterior areas.

  15. Theory of long-range interactions for Rydberg states attached to hyperfine-split cores

    Science.gov (United States)

    Robicheaux, F.; Booth, D. W.; Saffman, M.

    2018-02-01

    The theory is developed for one- and two-atom interactions when the atom has a Rydberg electron attached to a hyperfine-split core state. This situation is relevant for some of the rare-earth and alkaline-earth atoms that have been proposed for experiments on Rydberg-Rydberg interactions. For the rare-earth atoms, the core electrons can have a very substantial total angular momentum J and a nonzero nuclear spin I . In the alkaline-earth atoms there is a single (s ) core electron whose spin can couple to a nonzero nuclear spin for odd isotopes. The resulting hyperfine splitting of the core state can lead to substantial mixing between the Rydberg series attached to different thresholds. Compared to the unperturbed Rydberg series of the alkali-metal atoms, the series perturbations and near degeneracies from the different parity states could lead to qualitatively different behavior for single-atom Rydberg properties (polarizability, Zeeman mixing and splitting, etc.) as well as Rydberg-Rydberg interactions (C5 and C6 matrices).

  16. Variational estimate of the vacuum state of the SU(2) lattice gauge theory with a disordered trial wave function

    International Nuclear Information System (INIS)

    Heys, D.W.; Stump, D.R.

    1984-01-01

    The variational principle is used to estimate the ground state of the Kogut-Susskind Hamiltonian of the SU(2) lattice gauge theory, with a trial wave function for which the magnetic fields on different plaquettes are uncorrelated. This trial function describes a disordered state. The energy expectation value is evaluated by a Monte Carlo method. The variational results are compared to similar results for a related Abelian gauge theory. Also, the expectation value of the Wilson loop operator is computed for the trial state, and the resulting estimate of the string tension is compared to the prediction of asymptotic freedom

  17. Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension

    Energy Technology Data Exchange (ETDEWEB)

    Greene, Samuel M., E-mail: samuel.greene@chem.ox.ac.uk; Shan, Xiao, E-mail: xiao.shan@chem.ox.ac.uk; Clary, David C., E-mail: david.clary@chem.ox.ac.u [Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ (United Kingdom)

    2016-06-28

    Semiclassical Transition State Theory (SCTST), a method for calculating rate constants of chemical reactions, offers gains in computational efficiency relative to more accurate quantum scattering methods. In full-dimensional (FD) SCTST, reaction probabilities are calculated from third and fourth potential derivatives along all vibrational degrees of freedom. However, the computational cost of FD SCTST scales unfavorably with system size, which prohibits its application to larger systems. In this study, the accuracy and efficiency of 1-D SCTST, in which only third and fourth derivatives along the reaction mode are used, are investigated in comparison to those of FD SCTST. Potential derivatives are obtained from numerical ab initio Hessian matrix calculations at the MP2/cc-pVTZ level of theory, and Richardson extrapolation is applied to improve the accuracy of these derivatives. Reaction barriers are calculated at the CCSD(T)/cc-pVTZ level. Results from FD SCTST agree with results from previous theoretical and experimental studies when Richardson extrapolation is applied. Results from our implementation of 1-D SCTST, which uses only 4 single-point MP2/cc-pVTZ energy calculations in addition to those for conventional TST, agree with FD results to within a factor of 5 at 250 K. This degree of agreement and the efficiency of the 1-D method suggest its potential as a means of approximating rate constants for systems too large for existing quantum scattering methods.

  18. Ground-state properties of rare-earth metals: an evaluation of density-functional theory

    International Nuclear Information System (INIS)

    Söderlind, Per; Turchi, P E A; Landa, A; Lordi, V

    2014-01-01

    The rare-earth metals have important technological applications due to their magnetic properties, but are scarce and expensive. Development of high-performance magnetic materials with less rare-earth content is desired, but theoretical modeling is hampered by complexities of the rare earths electronic structure. The existence of correlated (atomic-like) 4f electrons in the vicinity of the valence band makes any first-principles theory challenging. Here, we apply and evaluate the efficacy of density-functional theory for the series of lanthanides (rare earths), investigating the influence of the electron exchange and correlation functional, spin-orbit interaction, and orbital polarization. As a reference, the results are compared with those of the so-called ‘standard model’ of the lanthanides in which electrons are constrained to occupy 4f core states with no hybridization with the valence electrons. Some comparisons are also made with models designed for strong electron correlations. Our results suggest that spin–orbit coupling and orbital polarization are important, particularly for the magnitude of the magnetic moments, and that calculated equilibrium volumes, bulk moduli, and magnetic moments show correct trends overall. However, the precision of the calculated properties is not at the level of that found for simpler metals in the Periodic Table of Elements, and the electronic structures do not accurately reproduce x-ray photoemission spectra. (paper)

  19. Continuum theory of the mixed-state and surface Joule effects in type-II superconductors

    International Nuclear Information System (INIS)

    Hocquet, T.; Mathieu, P.; Simon, Y.

    1992-01-01

    A phenomenological theory of vortex motion, where the mixed state is regarded as a continuum, has been proposed by two of the authors in a short previous letter. Its outlines are recalled in this paper with further comments and arguments; in particular the basic equations and their implications are discussed at some length. This theory leads to a model of pinning, from which we argue that critical currents I c , in soft type-II samples of standard bulk homogeneity, should be governed essentially by surface defects. I c is interpreted as a physically well-defined part of the total transport current I, which is flowing over a small depth close to the surface. Thus, on the scale of an ordinary sample, this part of the transport current is superficial, the remaining part I-I c being uniformly distributed over the cross section. Coherently, an analysis of the dissipation in such samples predicts that the part VI c of the total Joule effect VI must arise as surface heat sources, while the Joule effect V(I-I c ), usually associated with the steady viscous flow of vortices, is uniformly distributed in the bulk. As a proof, we present a method, using second-sound acoustics, to detect and separate surface and volume heat sources. Experimental results give clear evidence of a surface Joule effect, and support the validity of our model of surface pinning in soft materials

  20. Role of Electronic Structure In Ion Band State Theory of Low Energy Nuclear Reactions

    Science.gov (United States)

    Chubb, Scott

    2004-03-01

    The Nuts and Bolts of our Ion Band State (IBS) 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 PdH_x, this bonding is strongly correlated with loading: in ambient loading conditions (x< 0. 6), the bonding in hibits IBS occupation. As x arrow 1, slight increases and decreases in loading can lead to 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. I use these ideas to develop a formal justification, based on a generalization of conventional band theory (Scott Chubb, "Semi-Classical Conduction of Charged and Neutral Particles in Finite Lattices," 2004 March Meeting."), for the idea that occupation of IBS's can occur and that this can lead to nuclear reactions.

  1. Dynamic state estimation based on Poisson spike trains—towards a theory of optimal encoding

    International Nuclear Information System (INIS)

    Susemihl, Alex; Opper, Manfred; Meir, Ron

    2013-01-01

    Neurons in the nervous system convey information to higher brain regions by the generation of spike trains. An important question in the field of computational neuroscience is how these sensory neurons encode environmental information in a way which may be simply analyzed by subsequent systems. Many aspects of the form and function of the nervous system have been understood using the concepts of optimal population coding. Most studies, however, have neglected the aspect of temporal coding. Here we address this shortcoming through a filtering theory of inhomogeneous Poisson processes. We derive exact relations for the minimal mean squared error of the optimal Bayesian filter and, by optimizing the encoder, obtain optimal codes for populations of neurons. We also show that a class of non-Markovian, smooth stimuli are amenable to the same treatment, and provide results for the filtering and prediction error which hold for a general class of stochastic processes. This sets a sound mathematical framework for a population coding theory that takes temporal aspects into account. It also formalizes a number of studies which discussed temporal aspects of coding using time-window paradigms, by stating them in terms of correlation times and firing rates. We propose that this kind of analysis allows for a systematic study of temporal coding and will bring further insights into the nature of the neural code. (paper)

  2. Theory of steady state plasma flow and confinement in a periodic magnetic field

    International Nuclear Information System (INIS)

    Brown, M.G.

    1981-02-01

    The steady flow of plasmas through spatially periodic magnetic fields is examined, and a theoretical model is developed for the case of axisymmetric geometry. The externally applied magnetic fields can be cusps or mirrors joined end to end; electrons are then localised by these fields because of their small Larmor radius, while the ions can traverse the magnetic mirrors. The properties of the model equations are studied and dimensionless parameters which appear are interpreted. Numerical methods used in steady flow applications are reviewed, and some techniques of solution for the model equations are discussed. A solution method involving numerical integration of time-dependent equations is described, which approaches the steady state asymptotically; results from this method are presented and compared with the results from perturbation theory. (author)

  3. 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.

  4. Exact spinor-scalar bound states in a quantum field theory with scalar interactions

    International Nuclear Information System (INIS)

    Shpytko, Volodymyr; Darewych, Jurij

    2001-01-01

    We study two-particle systems in a model quantum field theory in which scalar particles and spinor particles interact via a mediating scalar field. The Lagrangian of the model is reformulated by using covariant Green's functions to solve for the mediating field in terms of the particle fields. This results in a Hamiltonian in which the mediating-field propagator appears directly in the interaction term. It is shown that exact two-particle eigenstates of the Hamiltonian can be determined. The resulting relativistic fermion-boson equation is shown to have Dirac and Klein-Gordon one-particle limits. Analytical solutions for the bound state energy spectrum are obtained for the case of massless mediating fields

  5. Theory and state-of-the-art technology of software reliability

    International Nuclear Information System (INIS)

    Suzudo, Tomoaki; Watanabe, Norio

    1999-11-01

    Since FY 1997 , the Japan Atomic Energy Research Institute has been conducting a project , Study on Reliability of Digital I and C Systems. As part of the project , the methodologies and tools to improve software reliability were reviewed in order to examine the theory and the state-of-the-art technology in this field. It is surmised, as results from the review, that computerized software design and implementation tool (CASE tool), algebraic analysis to ensure the consistency between software requirement framework and its detailed design specification, and efficient test method using the internal information of the software (white-box test) at the validation phase just before the completion of the development will play a key role to enhance software reliability in the future. (author)

  6. Density of states calculations and multiple-scattering theory for photons

    International Nuclear Information System (INIS)

    Moroz, A.

    1994-05-01

    The density of states for a finite or an infinite cluster of scatterers in the case of both, electrons and photons, can be represented in a general form as the sum over all Krein-Friedel contributions of individual scatterers and a contribution due to the presence of multiple scatterers. The latter is given by the sum over all periodic orbits between different scatterers. General three dimensional multiple-scattering theory for electromagnetic waves in the presence of scatterers of arbitrary shape is presented. Vector structure constants are calculated and general rules for obtaining them from known scalar structure constants are given. The KKR equations for photons are explicitly written down. (author). 22 refs., 2 figs

  7. Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance

    Energy Technology Data Exchange (ETDEWEB)

    Jain, Amber; Subotnik, Joseph E., E-mail: subotnik@sas.upenn.edu [Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104 (United States)

    2015-10-07

    We investigate a simple approach to compute a non-adiabatic thermal rate constant using the fewest switches surface hopping (FSSH) dynamics. We study the effects of both decoherence (using our augmented-FSSH (A-FSSH) algorithm) and forbidden hops over a large range of parameters, including high and low friction regimes, and weak and strong electronic coupling regimes. Furthermore, when possible, we benchmark our results against exact hierarchy equations of motion results, where we usually find a maximum error of roughly a factor of two (at reasonably large temperatures). In agreement with Hammes-Schiffer and Tully, we find that a merger of transition state theory and surface hopping can be both accurate and efficient when performed correctly. We further show that detailed balance is followed approximately by A-FSSH dynamics.

  8. The Influence of Preprocessing Steps on Graph Theory Measures Derived from Resting State fMRI.

    Science.gov (United States)

    Gargouri, Fatma; Kallel, Fathi; Delphine, Sebastien; Ben Hamida, Ahmed; Lehéricy, Stéphane; Valabregue, Romain

    2018-01-01

    Resting state functional MRI (rs-fMRI) is an imaging technique that allows the spontaneous activity of the brain to be measured. Measures of functional connectivity highly depend on the quality of the BOLD signal data processing. In this study, our aim was to study the influence of preprocessing steps and their order of application on small-world topology and their efficiency in resting state fMRI data analysis using graph theory. We applied the most standard preprocessing steps: slice-timing, realign, smoothing, filtering, and the tCompCor method. In particular, we were interested in how preprocessing can retain the small-world economic properties and how to maximize the local and global efficiency of a network while minimizing the cost. Tests that we conducted in 54 healthy subjects showed that the choice and ordering of preprocessing steps impacted the graph measures. We found that the csr (where we applied realignment, smoothing, and tCompCor as a final step) and the scr (where we applied realignment, tCompCor and smoothing as a final step) strategies had the highest mean values of global efficiency (eg) . Furthermore, we found that the fscr strategy (where we applied realignment, tCompCor, smoothing, and filtering as a final step), had the highest mean local efficiency (el) values. These results confirm that the graph theory measures of functional connectivity depend on the ordering of the processing steps, with the best results being obtained using smoothing and tCompCor as the final steps for global efficiency with additional filtering for local efficiency.

  9. Equation of state for sub-stoichiometric urania using significant structures theory

    International Nuclear Information System (INIS)

    Fischer, E.A.

    1979-01-01

    The Significant Structures Theory (SST) by Eyring was successfully used to predict the equation of state in the liquid range for a variety of materials, including UO 2 . However, all these applications assumed that the liquid evaporates congruently i.e. the composition of the vapor phase is identical to that of the condensed phase. In this paper, an attempt is made to apply SST to non-congruently evaporating materials, using hypo-stoichiometric urania as an example. To this end, additional hypotheses to those of the original SST must be made. In the SST, it is assumed that the partition function of the liquid can be expressed by suitably combining that of 'solidlike molecules', and of 'gaslike molecules'. In the present work, starting from the fact that non-stoichiometry of solid urania is connected with lattice defects (e.g. oxygen interstitials or oxygen vacancies), it is assumed that a simple oxygen defect model can be extrapolated into the liquid state. Thus, the solidlike partition function includes a defect term, which determines the O/U; the defect concentration depends on the absolute activity of oxygen. The gaslike partition function allows for UO(g) and UO 2 (g), the ratio depending also on the oxygen activity. The parameters of the theory are selected such as to obtain agreement with experimental data at the melting point. The physical requirement that the difference between liquid and gas disappears at the critical temperature necessitates an adjustment of the solidlike partition function at high temperatures. (orig.) [de

  10. The Influence of Preprocessing Steps on Graph Theory Measures Derived from Resting State fMRI

    Directory of Open Access Journals (Sweden)

    Fatma Gargouri

    2018-02-01

    Full Text Available Resting state functional MRI (rs-fMRI is an imaging technique that allows the spontaneous activity of the brain to be measured. Measures of functional connectivity highly depend on the quality of the BOLD signal data processing. In this study, our aim was to study the influence of preprocessing steps and their order of application on small-world topology and their efficiency in resting state fMRI data analysis using graph theory. We applied the most standard preprocessing steps: slice-timing, realign, smoothing, filtering, and the tCompCor method. In particular, we were interested in how preprocessing can retain the small-world economic properties and how to maximize the local and global efficiency of a network while minimizing the cost. Tests that we conducted in 54 healthy subjects showed that the choice and ordering of preprocessing steps impacted the graph measures. We found that the csr (where we applied realignment, smoothing, and tCompCor as a final step and the scr (where we applied realignment, tCompCor and smoothing as a final step strategies had the highest mean values of global efficiency (eg. Furthermore, we found that the fscr strategy (where we applied realignment, tCompCor, smoothing, and filtering as a final step, had the highest mean local efficiency (el values. These results confirm that the graph theory measures of functional connectivity depend on the ordering of the processing steps, with the best results being obtained using smoothing and tCompCor as the final steps for global efficiency with additional filtering for local efficiency.

  11. The Influence of Preprocessing Steps on Graph Theory Measures Derived from Resting State fMRI

    Science.gov (United States)

    Gargouri, Fatma; Kallel, Fathi; Delphine, Sebastien; Ben Hamida, Ahmed; Lehéricy, Stéphane; Valabregue, Romain

    2018-01-01

    Resting state functional MRI (rs-fMRI) is an imaging technique that allows the spontaneous activity of the brain to be measured. Measures of functional connectivity highly depend on the quality of the BOLD signal data processing. In this study, our aim was to study the influence of preprocessing steps and their order of application on small-world topology and their efficiency in resting state fMRI data analysis using graph theory. We applied the most standard preprocessing steps: slice-timing, realign, smoothing, filtering, and the tCompCor method. In particular, we were interested in how preprocessing can retain the small-world economic properties and how to maximize the local and global efficiency of a network while minimizing the cost. Tests that we conducted in 54 healthy subjects showed that the choice and ordering of preprocessing steps impacted the graph measures. We found that the csr (where we applied realignment, smoothing, and tCompCor as a final step) and the scr (where we applied realignment, tCompCor and smoothing as a final step) strategies had the highest mean values of global efficiency (eg). Furthermore, we found that the fscr strategy (where we applied realignment, tCompCor, smoothing, and filtering as a final step), had the highest mean local efficiency (el) values. These results confirm that the graph theory measures of functional connectivity depend on the ordering of the processing steps, with the best results being obtained using smoothing and tCompCor as the final steps for global efficiency with additional filtering for local efficiency. PMID:29497372

  12. Quantifying confidence in density functional theory predictions of magnetic ground states

    Science.gov (United States)

    Houchins, Gregory; Viswanathan, Venkatasubramanian

    2017-10-01

    Density functional theory (DFT) simulations, at the generalized gradient approximation (GGA) level, are being routinely used for material discovery based on high-throughput descriptor-based searches. The success of descriptor-based material design relies on eliminating bad candidates and keeping good candidates for further investigation. While DFT has been widely successfully for the former, oftentimes good candidates are lost due to the uncertainty associated with the DFT-predicted material properties. Uncertainty associated with DFT predictions has gained prominence and has led to the development of exchange correlation functionals that have built-in error estimation capability. In this work, we demonstrate the use of built-in error estimation capabilities within the BEEF-vdW exchange correlation functional for quantifying the uncertainty associated with the magnetic ground state of solids. We demonstrate this approach by calculating the uncertainty estimate for the energy difference between the different magnetic states of solids and compare them against a range of GGA exchange correlation functionals as is done in many first-principles calculations of materials. We show that this estimate reasonably bounds the range of values obtained with the different GGA functionals. The estimate is determined as a postprocessing step and thus provides a computationally robust and systematic approach to estimating uncertainty associated with predictions of magnetic ground states. We define a confidence value (c-value) that incorporates all calculated magnetic states in order to quantify the concurrence of the prediction at the GGA level and argue that predictions of magnetic ground states from GGA level DFT is incomplete without an accompanying c-value. We demonstrate the utility of this method using a case study of Li-ion and Na-ion cathode materials and the c-value metric correctly identifies that GGA-level DFT will have low predictability for NaFePO4F . Further, there

  13. 'Wash-out' of Cs-134 and Cs-137 from river sediment; 'Ispiranja' Cs-134 i Cs-137 iz recnog sedimenta

    Energy Technology Data Exchange (ETDEWEB)

    Skrbic, Z; Conkic, Lj; Bikit, I; Veskovic, M; Slivka, J; Marinkov, L [Institut za Fiziku, Novi Sad Univ. (Yugoslavia)

    1988-07-01

    Natural elimination and 'wash out' period of the Cs-134 and Cs-137 from the river sediment has been investigated. Obtained results suggest the possibility to describe these processes by exponential low and determination of the corresponding half lives. (author)

  14. Electronically excited and ionized states in condensed phase: Theory and applications

    Science.gov (United States)

    Sadybekov, Arman

    Predictive modeling of chemical processes in silico is a goal of XXI century. While robust and accurate methods exist for ground-state properties, reliable methods for excited states are still lacking and require further development. Electronically exited states are formed by interactions of matter with light and are responsible for key processes in solar energy harvesting, vision, artificial sensors, and photovoltaic applications. The greatest challenge to overcome on our way to a quantitative description of light-induced processes is accurate inclusion of the effect of the environment on excited states. All above mentioned processes occur in solution or solid state. Yet, there are few methodologies to study excited states in condensed phase. Application of highly accurate and robust methods, such as equation-of-motion coupled-cluster theory EOM-CC, is limited by a high computational cost and scaling precluding full quantum mechanical treatment of the entire system. In this thesis we present successful application of the EOM-CC family of methods to studies of excited states in liquid phase and build hierarchy of models for inclusion of the solvent effects. In the first part of the thesis we show that a simple gasphase model is sufficient to quantitatively analyze excited states in liquid benzene, while the latter part emphasizes the importance of explicit treatment of the solvent molecules in the case of glycine in water solution. In chapter 2, we use a simple dimer model to describe exciton formation in liquid and solid benzene. We show that sampling of dimer structures extracted from the liquid benzene is sufficient to correctly predict exited-state properties of the liquid. Our calculations explain experimentally observed features, which helped to understand the mechanism of the excimer formation in liquid benzene. Furthermore, we shed light on the difference between dimer configurations in the first solvation shell of liquid benzene and in unit cell of solid

  15. Identifying patients with Alzheimer's disease using resting-state fMRI and graph theory.

    Science.gov (United States)

    Khazaee, Ali; Ebrahimzadeh, Ata; Babajani-Feremi, Abbas

    2015-11-01

    Study of brain network on the basis of resting-state functional magnetic resonance imaging (fMRI) has provided promising results to investigate changes in connectivity among different brain regions because of diseases. Graph theory can efficiently characterize different aspects of the brain network by calculating measures of integration and segregation. In this study, we combine graph theoretical approaches with advanced machine learning methods to study functional brain network alteration in patients with Alzheimer's disease (AD). Support vector machine (SVM) was used to explore the ability of graph measures in diagnosis of AD. We applied our method on the resting-state fMRI data of twenty patients with AD and twenty age and gender matched healthy subjects. The data were preprocessed and each subject's graph was constructed by parcellation of the whole brain into 90 distinct regions using the automated anatomical labeling (AAL) atlas. The graph measures were then calculated and used as the discriminating features. Extracted network-based features were fed to different feature selection algorithms to choose most significant features. In addition to the machine learning approach, statistical analysis was performed on connectivity matrices to find altered connectivity patterns in patients with AD. Using the selected features, we were able to accurately classify patients with AD from healthy subjects with accuracy of 100%. Results of this study show that pattern recognition and graph of brain network, on the basis of the resting state fMRI data, can efficiently assist in the diagnosis of AD. Classification based on the resting-state fMRI can be used as a non-invasive and automatic tool to diagnosis of Alzheimer's disease. Copyright © 2015 International Federation of Clinical Neurophysiology. All rights reserved.

  16. 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.

  17. Calculation of parameters of the interaction potential between excited alkali atoms and mercury atoms: The Cs*, Pr*-Hg interaction

    International Nuclear Information System (INIS)

    Glushkov, A.V.

    1994-01-01

    Based on the method of effective potential involving the new polarization interaction potential calculated from polarization diagrams of the perturbation theory in the Thomas-Fermi approximation, the main parameters of the interatomic potentials (equilibrium distances, potential well depth) are evaluated for a system consisting of an alkali atom in the ground and excited states and of a mercury atom. The results of calculations of quasi-molecular terms for the A-Hg system, where A = Na, Cs, Fr, are reported, some of which are obtained for the first time. A comparison is made with available experimental and theoretical data. 29 refs., 2 figs., 1 tab

  18. A Cross-Cultural Assessment of Three Theories of Pro-Environmental Behavior: A Comparison between Business Students of Chile and the United States

    Science.gov (United States)

    Cordano, Mark; Welcomer, Stephanie; Scherer, Robert F.; Pradenas, Lorena; Parada, Victor

    2011-01-01

    We surveyed business students in the United States (n = 256) and Chile (n = 310) to compare three theories of pro-environmental behavior.We examined Ajzen and Fishbein's theory of reasoned action, Schawartz's norm activation theory, and the values-beliefs-norms theory created by Stern, Dietz, Abel, Guagnano, and Kalof. We produced reliable…

  19. An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions.

    Science.gov (United States)

    Greene, Samuel M; Shan, Xiao; Clary, David C

    2016-02-28

    We investigate which terms in Reduced-Dimensionality Semiclassical Transition State Theory (RD SCTST) contribute most significantly in rate constant calculations of hydrogen extraction and exchange reactions of hydrocarbons. We also investigate the importance of deep tunneling corrections to the theory. In addition, we introduce a novel formulation of the theory in Jacobi coordinates. For the reactions of H atoms with methane, ethane, and cyclopropane, we find that a one-dimensional (1-D) version of the theory without deep tunneling corrections compares well with 2-D SCTST results and accurate quantum scattering results. For the "heavy-light-heavy" H atom exchange reaction between CH3 and CH4, deep tunneling corrections are needed to yield 1-D results that compare well with 2-D results. The finding that accurate rate constants can be obtained from derivatives of the potential along only one dimension further validates RD SCTST as a computationally efficient yet accurate rate constant theory.

  20. THE ROLE OF THE STATE IN ADAM SMITH’S THOUGHT SYSTEM AND MODERN PUBLIC FINANCE THEORY: A COMPARATIVE EVALUATION

    Directory of Open Access Journals (Sweden)

    Turan YAY

    2010-07-01

    Full Text Available What are the main functions of the state? Which functions must be fulfilled by the state, which functions must be not? How should the state fulfill these responsibilities? What must be the main principles of the state, related to public expenditures, taxation and debt policies? In this paper, the place of the role and functions of the state in Adam Smith’s thought system will be discussed. In this context, especially the related parts of the Wealth of Nations and Lectures on Jurisprudence will be focused on and evaluated in the light of contemporary public finance theory

  1. A harmonic transition state theory model for defect initiation in crystals

    International Nuclear Information System (INIS)

    Delph, T J; Cao, P; Park, H S; Zimmerman, J A

    2013-01-01

    We outline here a model for the initiation of defects in crystals based upon harmonic transition state theory (hTST). This model combines a previously developed model for zero-temperature defect initiation with a multi-dimensional hTST model that is capable of accurately predicting the effects of temperature and loading rate upon defect initiation. The model has several features that set it apart from previous efforts along these lines, most notably a straightforward method of determining the energy barrier between adjacent equilibrium states that does not depend upon a priori information concerning the nature of the defect. We apply the model to two examples, triaxial stretching of a perfect fcc crystal and nanoindentation of a gold substrate. Very good agreement is found between the predictions of the model and independent molecular dynamics (MD) simulations. Among other things, the model predicts a strong dependence of the defect initiation behavior upon the loading parameter. A very attractive feature of this model is that it is valid for arbitrarily slow loading rates, in particular loading rates achievable in the laboratory, and suffers from none of the limitations in this regard inherent in MD simulations. (paper)

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

    Science.gov (United States)

    Sih, Andrew

    2017-01-01

    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. PMID:28100814

  3. Hartree–Fock many-body perturbation theory for nuclear ground-states

    Directory of Open Access Journals (Sweden)

    Alexander Tichai

    2016-05-01

    Full Text Available We investigate the order-by-order convergence behavior of many-body perturbation theory (MBPT as a simple and efficient tool to approximate the ground-state energy of closed-shell nuclei. To address the convergence properties directly, we explore perturbative corrections up to 30th order and highlight the role of the partitioning for convergence. The use of a simple Hartree–Fock solution for the unperturbed basis leads to a convergent MBPT series for soft interactions, in contrast to the divergent MBPT series obtained with a harmonic oscillator basis. For larger model spaces and heavier nuclei, where a direct high-order MBPT calculation is not feasible, we perform third-order calculations and compare to advanced ab initio coupled-cluster results for the same interactions and model spaces. We demonstrate that third-order MBPT provides ground-state energies for nuclei up into the tin isotopic chain in excellent agreement with the best available coupled-cluster calculations at a fraction of the computational cost.

  4. Hartree–Fock many-body perturbation theory for nuclear ground-states

    Energy Technology Data Exchange (ETDEWEB)

    Tichai, Alexander, E-mail: alexander.tichai@physik.tu-darmstadt.de [Institut für Kernphysik, Technische Universität Darmstadt, 64289 Darmstadt (Germany); Langhammer, Joachim [Institut für Kernphysik, Technische Universität Darmstadt, 64289 Darmstadt (Germany); Binder, Sven [Department of Physics and Astronomy, University of Tennessee, Knoxville, TN 37996 (United States); Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Roth, Robert, E-mail: robert.roth@physik.tu-darmstadt.de [Institut für Kernphysik, Technische Universität Darmstadt, 64289 Darmstadt (Germany)

    2016-05-10

    We investigate the order-by-order convergence behavior of many-body perturbation theory (MBPT) as a simple and efficient tool to approximate the ground-state energy of closed-shell nuclei. To address the convergence properties directly, we explore perturbative corrections up to 30th order and highlight the role of the partitioning for convergence. The use of a simple Hartree–Fock solution for the unperturbed basis leads to a convergent MBPT series for soft interactions, in contrast to the divergent MBPT series obtained with a harmonic oscillator basis. For larger model spaces and heavier nuclei, where a direct high-order MBPT calculation is not feasible, we perform third-order calculations and compare to advanced ab initio coupled-cluster results for the same interactions and model spaces. We demonstrate that third-order MBPT provides ground-state energies for nuclei up into the tin isotopic chain in excellent agreement with the best available coupled-cluster calculations at a fraction of the computational cost.

  5. Preliminary Study on the Use of Radionuclides 137{sup C}s and 210{sup P}b and Spectro radiometry Techniques as Tools to Determine Soil Erosion State; Estudio Preliminar sobre el Uso de los Radionucleidos 137{sup C}s y 210{sup P}b y las Tecnicas de Espectrorradiometria como Herramientas para Determinar el Estado de Erosion de Suelos

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez Vegas, E.; Gasco Leonarte, C.; Schmid, T.; Suarez, J. A.; Rodriguez Rastrero, M.; Almorox Alonso, J.

    2013-07-01

    Radionuclides are largely used as tools for studying and quantifying soil erosion. The global fallout of artificial radionuclides derived from weapons testing (1945-1970) was rapidly and firmly fixed in soil surface horizons. This allowed determining soil erosion by comparing 137{sup C}s inventories at individual sampling points with a reference inventory. This procedure is complemented with the 210{sup P}buns inventory calculation as an indicator of the local average of radionuclides deposition. Spectro radiometry is implemented to associate soil reflectance measurements to physical and chemical soil properties related to soil erosion processes obtained from laboratory analyses. The methodology applies both instrumental techniques in soil samples from a semiarid agricultural area near to Camarena (Toledo). The resulting inventories obtained for 137{sup C}s and 210{sup P}bexc are similar to the Spanish reference allowing comparation. Spectro radiometry results correlate well with soil properties measured in the laboratory and can be applied to determine these properties more quickly and easily, as well as for integration with gamma spectrometry results. This is a preliminary study to identify soils affected by erosion that is presented as a Master thesis of the Official Master Degree: {sup A}gro- Environmental Technology for a Sustainable Agriculture{sup ,} of the Technical University of Madrid - School of Agricultural Engineers (UPM-ETSI). Coherent and complimentary results are obtained applying both instrumental techniques within this agricultural area.. (Author)

  6. Variational theory of valence fluctuations: Ground states and quasiparticle excitations of the Anderson lattice model

    Science.gov (United States)

    Brandow, B. H.

    1986-01-01

    A variational study of ground states of the orbitally nondegenerate Anderson lattice model, using a wave function with one variational parameter per Bloch state k, has been extended to deal with essentially metallic systems having a nonintegral number of electrons per site. Quasiparticle excitations are obtained by direct appeal to Landau's original definition for interacting Fermi liquids, scrEqp(k,σ)=δEtotal/δn qp(k,σ). This approach provides a simple and explicit realization of the Luttinger picture of a periodic Fermi liquid. A close correspondence is maintained between the ``interacting'' (U=∞) system and the corresponding ``noninteracting'' (U=0) case, i.e., ordinary band theory; the result can be described as a renormalized band or renormalized hybridization theory. The occupation-number distribution for the conduction orbitals displays a finite discontinuity at the Fermi surface. If the d-f hybridization is nonzero throughout the Brillouin zone, the quasiparticle spectrum will always exhibit a gap, although this gap becomes exponentially small (i.e., of order TK) in the Kondo-lattice regime. In the ``ionic'' case with precisely two electrons per site, such a system may therefore exhibit an insulating (semiconducting) gap. The quasiparticle state density exhibits a prominent spike on each side of the spectral gap, just as in the elementary hybridization model (the U=0 case). For the metallic case, with a nonintegral number of electrons per site, the Fermi level falls within one of the two sharp density peaks. The effective mass at the Fermi surface tends to be very large; enhancements by a factor >~102 are quite feasible. The foregoing variational theory has also been refined by means of a trial wave function having two variational parameters per Bloch state k. The above qualitative features are all retained, with some quantitative differences, but there are also some qualitatively new features. The most interesting of these is the appearance, within

  7. Solid state NMR, basic theory and recent progress for quadrupole nuclei with half-integer spin

    International Nuclear Information System (INIS)

    Dieter, F.

    1998-01-01

    This review describes the basic theory and some recently developed techniques for the study of quadrupole nuclei with half integer spins in powder materials. The latter is connected to the introduction of the double rotation (DOR) by A. Samoson et al. (1) and to the introduction of the multiple quantum magic-angle spinning (MQ MAS) technique by L. Frydman et. al. (2). For integer spins, especially the solid-state deuterium magnetic resonance, we refer to the review of G.L. Hoatson and R.L. Vold: '' 2 H-NMR Spectroscopy of Solids and Liquid Crystals'' (3). For single crystals we refer to O. Kanert and M. Mehring: ''Static quadrupole effects in disordered cubic solids''(4) and we would like also to mention the ''classic'' review of M.H. Cohen and F. Reif: ''Quadrupole effects in NMR studies of solids'' (5). Some more recent reviews in the field under study are D. Freude and J. Haase ''Quadrupole effects in solid-state NMR'' (6). Ch. Jager: ''Satellite Transition Spectroscopy of Quadrupolar Nuclei'' (7) and B.F. Chmelka and J.W. Zwanziger: ''Solid State NMR Line Narrowing Methods for Quadrupolar Nuclei - Double Rotation and Dynamic-Angle Spinning'' (8). A survey of nuclear quadrupole frequency data published before the end of 1982 is given by H. Chihara and N. Nakamura in Landolt-Bornstein, Vol. 20 (9). Values of the chemical shift of quadrupole nuclei in solids can be found in books such as ''Multinuclear NMR'' edited by J. Mason (10). In section 9 of ref (6) some electric field gradient and chemical shift data published from 1983 to 1992 for the most studied quadrupole nuclei sup 27 Al, sup 23 Na, and sup 17 O are given

  8. ((F, D1), D3) bound state, S-duality and noncommutative open string/Yang-Mills theory

    International Nuclear Information System (INIS)

    Lu, J.X.; Roy, S.; Singh, H.

    2000-01-01

    We study decoupling limits and S-dualities for noncommutative open string/Yang-Mills theory in a gravity setup by considering an SL(2,Z) invariant supergravity solution of the form ((F, D1), D3) bound state of type IIB string theory. This configuration can be regarded as D3-branes with both electric and magnetic fields turned on along one of the spatial directions of the brane and preserves half of the space-time supersymmetries of the string theory. Our study indicates that there exists a decoupling limit for which the resulting theory is an open string theory defined in a geometry with noncommutativity in both space-time and space-space directions. We study S-duality of this noncommutative open string (NCOS) and find that the same decoupling limit in the S-dual description gives rise to a space-space noncommutative Yang-Mills theory (NCYM). We also discuss independently the decoupling limit for NCYM in this D3 brane background. Here we find that S-duality of NCYM theory does not always give a NCOS theory. Instead, it can give an ordinary Yang-Mills with a singular metric and an infinitely large coupling. We also find that the open string coupling relation between the two S-duality related theories is modified such that S-duality of a strongly coupled open-string/Yang-Mills theory does not necessarily give a weakly coupled theory. The relevant gravity dual descriptions of NCOS/NCYM are also given. (author)

  9. Uptake and distribution of 137Cs, stable Cs and K in rice plants

    International Nuclear Information System (INIS)

    Tsukada, Hirofumi; Hasegawa, Hidenao

    2003-01-01

    The uptake and distributions of 137 Cs, stable Cs and K were determined for rice plant components, including polished rice, rice bran, hulls, leaves, stems, and roots. The distribution of 137 Cs in polished rice and rice bran was similar to that of stable Cs, while that of K was different. The concentration ratios of Cs/K in leaves increased in older leaf blade positions, which meant that the translocation rate of stable Cs, was slower than that of K. At harvest the dry weight of polished rice accounted for 34% of the entire rice plant, while the distributions of stable Cs in the polished rice and the non-edible parts were 7 and 93%, respectively. These findings suggest that the transfer and distribution of stable Cs in rice plants are different from those of K, and the behavior of stable Cs provides a useful analogue in predicting the fate of 137 Cs in an agricultural environment. (author)

  10. The strength of electron electron correlation in Cs3C60

    Science.gov (United States)

    Baldassarre, L.; Perucchi, A.; Mitrano, M.; Nicoletti, D.; Marini, C.; Pontiroli, D.; Mazzani, M.; Aramini, M.; Riccó, M.; Giovannetti, G.; Capone, M.; Lupi, S.

    2015-10-01

    Cs3C60 is an antiferromagnetic insulator that under pressure (P) becomes metallic and superconducting below Tc = 38 K. The superconducting dome present in the T - P phase diagram close to a magnetic state reminds what found in superconducting cuprates and pnictides, strongly suggesting that superconductivity is not of the conventional Bardeen-Cooper-Schrieffer (BCS) type We investigate the insulator to metal transition induced by pressure in Cs3C60 by means of infrared spectroscopy supplemented by Dynamical Mean-Field Theory calculations. The insulating compound is driven towards a metallic-like behaviour, while strong correlations survive in the investigated pressure range. The metallization process is accompanied by an enhancement of the Jahn-Teller effect. This shows that electronic correlations are crucial in determining the insulating behaviour at ambient pressure and the bad metallic nature for increasing pressure. On the other hand, the relevance of the Jahn-Teller coupling in the metallic state confirms that phonon coupling survives in the presence of strong correlations.

  11. Theory of novel normal and superconducting states in doped oxide high-Tc superconductors

    International Nuclear Information System (INIS)

    Dzhumanov, S.

    2001-10-01

    A consistent and complete theory of the novel normal and superconducting (SC) states of doped high-T c superconductors (HTSC) is developed by combining the continuum model of carrier self-trapping, the tight-binding model and the novel Fermi-Bose-liquid (FBL) model. The ground-state energy of carriers in lightly doped HTSC is calculated within the continuum model and adiabatic approximation using the variational method. The destruction of the long-range antiferromagnetic (AF) order at low doping x≥ x cl ≅0.015, the formation of the in-gap states or bands and novel (bi)polaronic insulating phases at x c2 ≅0.06-0.08, and the new metal- insulator transition at x≅x c2 in HTSC are studied within the continuum model of impurity (defect) centers and large (bi)polarons by using the appropriate tight-binding approximations. It is found that the three-dimensional (3d) large (bi)polarons are formed at ε ∞ /ε 0 ≤0.1 and become itinerant when the (bi)polaronic insulator-to-(bi)polaronic metal transitions occur at x x c2 . We show that the novel pseudogapped metallic and SC states in HTSC are formed at x c2 ≤x≤x p ≅0.20-0.24. We demonstrate that the large polaronic and small BCS-like pairing pseudogaps opening in the excitation spectrum of underdoped (x c2 BCS =0.125), optimally doped (x BCS o ≅0.20) and overdoped (x>x o ) HTSC above T c are unrelated to superconductivity and they are responsible for the observed anomalous optical, transport, magnetic and other properties of these HTSC. We develop the original two-stage FBL model of novel superconductivity describing the combined novel BCS-like pairing scenario of fermions and true superfluid (SF) condensation scenario of composite bosons (i.e. bipolarons and cooperons) in any Fermi-systems, where the SF condensate gap Δ B and the BCS-like pairing pseudogap Δ F have different origins. The pair and single particle condensations of attracting 3d and two- dimensional (2d) composite bosons are responsible for

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

    Science.gov (United States)

    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.

  13. Carbon disulfide (CS{sub 2}) adsorption and dissociation on the Cu(100) surface: A quantum chemical study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wenju, E-mail: wangwenju1982@163.com; Fan, Lili; Wang, Guoping, E-mail: wgp1976@163.com

    2017-08-31

    Highlights: • CS{sub 2}, CS, C and S are strongly chemadsorbed on the Cu(100) surface. • C/S/S, S/CS and CS{sub 2} accord to a decreased adsorption strength on the Cu(100). • The asymmetric model CS{sub 2}(II) is easier to dissociate on the Cu(100) surface. - Abstract: Density functional theory (DFT) is used to examine the adsorption and dissociation of CS{sub 2} on the Cu(100) surface. This study evaluates the adsorption energies and geometries of the species (CS{sub 2}, CS, C and S) adsorption on the Cu(100) surface, as well as that coadsorption of CS and a S atom, and that coadsorption of C atom and two S atoms. The results indicate that the species (CS{sub 2}, CS, C and S) are strongly chemadsorbed on the Cu(100) surface through the C−Cu and/or S−Cu bond with an increased adsorption energy (C/S/S > S/CS > CS{sub 2}). Two pathways for CS{sub 2} dissociation on the Cu(100) surface are constructed, and the energy barrier and reaction energy of each step are calculated. It shows that the dissociated energy barrier of the second C−S bond is 0.25 eV higher than that of the first C−S bond in the pathway 1, but in the pathway 2, the dissociated energy barrier of the second C−S bond is 0.11 eV lower than that of the first C−S bond. Comparing the highest dissociated energy barrier of pathway 1 (0.68 eV) and pathway 2 (0.5 eV), the structure of S/C/S(II) is regarded as a preferable product for the dissociation of CS{sub 2} on the Cu(100) surface.

  14. Detectable states, cycle fluxes, and motility scaling of molecular motor kinesin: An integrative kinetic graph theory analysis

    Science.gov (United States)

    Ren, Jie

    2017-12-01

    The process by which a kinesin motor couples its ATPase activity with concerted mechanical hand-over-hand steps is a foremost topic of molecular motor physics. Two major routes toward elucidating kinesin mechanisms are the motility performance characterization of velocity and run length, and single-molecular state detection experiments. However, these two sets of experimental approaches are largely uncoupled to date. Here, we introduce an integrative motility state analysis based on a theorized kinetic graph theory for kinesin, which, on one hand, is validated by a wealth of accumulated motility data, and, on the other hand, allows for rigorous quantification of state occurrences and chemomechanical cycling probabilities. An interesting linear scaling for kinesin motility performance across species is discussed as well. An integrative kinetic graph theory analysis provides a powerful tool to bridge motility and state characterization experiments, so as to forge a unified effort for the elucidation of the working mechanisms of molecular motors.

  15. Local causal structures, Hadamard states and the principle of local covariance in quantum field theory

    Energy Technology Data Exchange (ETDEWEB)

    Dappiaggi, Claudio [Erwin Schroedinger Institut fuer Mathematische Physik, Wien (Austria); Pinamonti, Nicola [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Porrmann, Martin [KwaZulu-Natal Univ. (South Africa). Quantum Research Group, School of Physics; National Institute for Theoretical Physics, Durban (South Africa)

    2010-01-15

    In the framework of the algebraic formulation, we discuss and analyse some new features of the local structure of a real scalar quantum field theory in a strongly causal spacetime. In particular we use the properties of the exponential map to set up a local version of a bulk-to-boundary correspondence. The bulk is a suitable subset of a geodesic neighbourhood of any but fixed point p of the underlying background, while the boundary is a part of the future light cone having p as its own tip. In this regime, we provide a novel notion for the extended *-algebra of Wick polynomials on the said cone and, on the one hand, we prove that it contains the information of the bulk counterpart via an injective *-homomorphism while, on the other hand, we associate to it a distinguished state whose pull-back in the bulk is of Hadamard form. The main advantage of this point of view arises if one uses the universal properties of the exponential map and of the light cone in order to show that, for any two given backgrounds M and M{sup '} and for any two subsets of geodesic neighbourhoods of two arbitrary points, it is possible to engineer the above procedure such that the boundary extended algebras are related via a restriction homomorphism. This allows for the pull-back of boundary states in both spacetimes and, thus, to set up a machinery which permits the comparison of expectation values of local field observables in M and M{sup '}. (orig.)

  16. Local causal structures, Hadamard states and the principle of local covariance in quantum field theory

    International Nuclear Information System (INIS)

    Dappiaggi, Claudio; Pinamonti, Nicola

    2010-01-01

    In the framework of the algebraic formulation, we discuss and analyse some new features of the local structure of a real scalar quantum field theory in a strongly causal spacetime. In particular we use the properties of the exponential map to set up a local version of a bulk-to-boundary correspondence. The bulk is a suitable subset of a geodesic neighbourhood of any but fixed point p of the underlying background, while the boundary is a part of the future light cone having p as its own tip. In this regime, we provide a novel notion for the extended *-algebra of Wick polynomials on the said cone and, on the one hand, we prove that it contains the information of the bulk counterpart via an injective *-homomorphism while, on the other hand, we associate to it a distinguished state whose pull-back in the bulk is of Hadamard form. The main advantage of this point of view arises if one uses the universal properties of the exponential map and of the light cone in order to show that, for any two given backgrounds M and M ' and for any two subsets of geodesic neighbourhoods of two arbitrary points, it is possible to engineer the above procedure such that the boundary extended algebras are related via a restriction homomorphism. This allows for the pull-back of boundary states in both spacetimes and, thus, to set up a machinery which permits the comparison of expectation values of local field observables in M and M ' . (orig.)

  17. Adobe Photoshop CS6 bible

    CERN Document Server

    Dayley, Brad

    2012-01-01

    The comprehensive, soup-to-nuts guide to Photoshop, fully updated Photoshop CS6, used for both print and digital media, is the industry leader in image-editing software. The newest version adds some exciting new features, and this bestselling guide has been revised to cover each of them, along with all the basic information you need to get started. Learn to use all the tools, including the histogram palette, Lens Blur, Match Color, and the color replacement tool, as well as keyboard shortcuts. Then master retouching and color correction, work with Camera Raw images, prepare photos for print

  18. Adjoint sensitivity theory for steady-state ground-water flow

    International Nuclear Information System (INIS)

    1983-11-01

    In this study, adjoint sensitivity theory is developed for equations of two-dimensional steady-state flow in a confined aquifer. Both the primary flow equation and the adjoint sensitivity equation are solved using the Galerkin finite element method. The developed computer code is used to investigate the regional flow parameters of the Leadville Formation of the Paradox Basin in Utah and the Wolcamp carbonate/sandstone aquifer of the Palo Duro Basin in the Texas Panhandle. Two performance measures are evaluated, local heads and velocity in the vicinity of potential high-level nuclear waste repositories. The results illustrate the sensitivity of calculated local heads to the boundary conditions. Local velocity-related performance measures are more sensitive to hydraulic conductivities. The uncertainty in the performance measure is a function of the parameter sensitivity, parameter variance and the correlation between parameters. Given a parameter covariance matrix, the uncertainty of the performance measure can be calculated. Although no results are presented here, the implications of uncertainty calculations for the two studies are discussed. 18 references, 25 figures

  19. Dynamical mean-field theory and path integral renormalisation group calculations of strongly correlated electronic states

    Energy Technology Data Exchange (ETDEWEB)

    Heilmann, D.B.

    2007-02-15

    The two-plane HUBBARD model, which is a model for some electronic properties of undoped YBCO superconductors as well as displays a MOTT metal-to-insulator transition and a metal-to-band insulator transition, is studied within Dynamical Mean-Field Theory using HIRSCH-FYE Monte Carlo. In order to find the different transitions and distinguish the types of insulator, we calculate the single-particle spectral densities, the self-energies and the optical conductivities. We conclude that there is a continuous transition from MOTT to band insulator. In the second part, ground state properties of a diagonally disordered HUBBARD model is studied using a generalisation of Path Integral Renormalisation Group, a variational method which can also determine low-lying excitations. In particular, the distribution of antiferromagnetic properties is investigated. We conclude that antiferromagnetism breaks down in a percolation-type transition at a critical disorder, which is not changed appreciably by the inclusion of correlation effects, when compared to earlier studies. Electronic and excitation properties at the system sizes considered turn out to primarily depend on the geometry. (orig.)

  20. Reallocation of water in the state of New Mexico based on cooperative game theory

    Science.gov (United States)

    Rouhi Rad, M.

    2011-12-01

    Water allocation models often aim to maximize net benefits in the river basin based on the water rights, thus there is no motivation to use water efficiently by the users with lower marginal value for water. Water markets not only could help increase the net benefits over the basin but also will encourage the stakeholders to save the water and use it in transfer markets and increase their income. This issue can be viewed as a game in which stakeholders can play non-cooperatively and try to increase their own benefits using the amount of water assigned to them or they could cooperate and make coalitions in order to increase the total benefits in the coalition and the whole basin. The aim of this study is to reallocate the water based on cooperation among different stakeholders, namely agricultural, municipal and industrial and environmental, in the Upper Rio Grande river basin in the state of New Mexico in order to increase efficiency, sustainability and equity of water distribution in the basin using different game theory schemes such as Nucleolus and the Shapley Value.

  1. Dynamical mean-field theory and path integral renormalisation group calculations of strongly correlated electronic states

    International Nuclear Information System (INIS)

    Heilmann, D.B.

    2007-02-01

    The two-plane HUBBARD model, which is a model for some electronic properties of undoped YBCO superconductors as well as displays a MOTT metal-to-insulator transition and a metal-to-band insulator transition, is studied within Dynamical Mean-Field Theory using HIRSCH-FYE Monte Carlo. In order to find the different transitions and distinguish the types of insulator, we calculate the single-particle spectral densities, the self-energies and the optical conductivities. We conclude that there is a continuous transition from MOTT to band insulator. In the second part, ground state properties of a diagonally disordered HUBBARD model is studied using a generalisation of Path Integral Renormalisation Group, a variational method which can also determine low-lying excitations. In particular, the distribution of antiferromagnetic properties is investigated. We conclude that antiferromagnetism breaks down in a percolation-type transition at a critical disorder, which is not changed appreciably by the inclusion of correlation effects, when compared to earlier studies. Electronic and excitation properties at the system sizes considered turn out to primarily depend on the geometry. (orig.)

  2. Theory of steady-state plane tunneling-assisted impact ionization waves

    International Nuclear Information System (INIS)

    Kyuregyan, A. S.

    2013-01-01

    The effect of band-to-band and trap-assisted tunneling on the properties of steady-state plane ionization waves in p + -n-n + structures is theoretically analyzed. It is shown that such tunneling-assisted impact ionization waves do not differ in a qualitative sense from ordinary impact ionization waves propagating due to the avalanche multiplication of uniformly distributed seed electrons and holes. The quantitative differences of tunneling-assisted impact ionization waves from impact ionization waves are reduced to a slightly different relation between the wave velocity u and the maximum field strength E M at the front. It is shown that disregarding impact ionization does not exclude the possibility of the existence of tunneling-assisted ionization waves; however, their structure radically changes, and their velocity strongly decreases for the same E M . A comparison of the dependences u(E M ) for various ionization-wave types makes it possible to determine the conditions under which one of them is dominant. In conclusion, unresolved problems concerning the theory of tunneling-assisted impact ionization waves are discussed and the directions of further studies are outlined

  3. Equation of state of neutron-rich nuclear matter from chiral effective field theory

    Energy Technology Data Exchange (ETDEWEB)

    Kaiser, Norbert; Strohmeier, Susanne [Technische Universitaet Muenchen (Germany)

    2016-07-01

    Based on chiral effective field theory, the equation of state of neutron-rich nuclear matter is investigated systematically. The contributing diagrams include one- and two-pion exchange together with three-body terms arising from virtual Δ(1232)-isobar excitations. The proper expansion of the energy per particle, anti E(k{sub f},δ) = anti E{sub n}(k{sub f}) + δB{sub 1}(k{sub f}) + δ{sup 5/3}B{sub 5/3}(k{sub f}) + δ{sup 2}B{sub 2}(k{sub f}) +.., for the system with neutron density ρ{sub n} = k{sub f}{sup 3}(1-δ)/3π{sup 2} and proton density ρ{sub p} = k{sub f}{sup 3}δ/3π{sup 2} is performed analytically for the various interaction contributions. One observes essential structural differences to the commonly used quadratic approximation. The density dependent coefficient B{sub 1}(k{sub f}) turns out to be unrelated to the isospin-asymmetry of nuclear matter. The coefficient B{sub 5/3}(k{sub f}) of the non-analytical δ{sup 5/3}-term receives contributions from the proton kinetic energy and from the one- and two-pion exchange interactions. The physical consequences for neutron star matter are studied.

  4. Balance of power theory meets Al Qaeda : dynamics of non-state actor balancing in postinternational politics

    OpenAIRE

    Denk, Aytaç

    2008-01-01

    Ankara : The Department of International Relations, Bilkent University, 2008. Thesis (Master's) -- Bilkent University, 2008. Includes bibliographical references leaves 196-207. The bulk of studies on the balance of power, which constitutes balance of power theory, suggest that only states are involved in balance of power dynamics. This thesis maintains that exclusion of non-state actors (NSAs) from balance of power dynamics constitutes a significant gap in balance of power t...

  5. The light bound states of N=1 supersymmetric SU(3) Yang-Mills theory on the lattice

    Science.gov (United States)

    Ali, Sajid; Bergner, Georg; Gerber, Henning; Giudice, Pietro; Montvay, Istvan; Münster, Gernot; Piemonte, Stefano; Scior, Philipp

    2018-03-01

    In this article we summarise our results from numerical simulations of N=1 supersymmetric Yang-Mills theory with gauge group SU(3). We use the formulation of Curci and Veneziano with clover-improved Wilson fermions. The masses of various bound states have been obtained at different values of the gluino mass and gauge coupling. Extrapolations to the limit of vanishing gluino mass indicate that the bound states form mass-degenerate supermultiplets.

  6. Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients

    Science.gov (United States)

    Shiozaki, Toru; Győrffy, Werner; Celani, Paolo; Werner, Hans-Joachim

    2011-08-01

    The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky [J. Chem. Phys. 134, 214113 (2011)], is combined with internally contracted multi-state complete active space second-order perturbation theory (XMS-CASPT2). The first-order wavefunction is expanded in terms of the union of internally contracted basis functions generated from all the reference functions, which guarantees invariance of the theory with respect to unitary rotations of the reference functions. The method yields improved potentials in the vicinity of avoided crossings and conical intersections. The theory for computing nuclear energy gradients for MS-CASPT2 and XMS-CASPT2 is also presented and the first implementation of these gradient methods is reported. A number of illustrative applications of the new methods are presented.

  7. State space approach for the vibration of nanobeams based on the nonlocal thermoelasticity theory without energy dissipation

    Energy Technology Data Exchange (ETDEWEB)

    Zenkour, A. M.; Alnefaie, K. A.; Abu-Hamdeh, N. H.; Aljinaid, A. A.; Aifanti, E. C. [King Abdulaziz University, Jeddah (Saudi Arabia); Abouelregal, A. E. [Mansoura University, Mansoura (Egypt)

    2015-07-15

    In this article, an Euler-Bernoulli beam model based upon nonlocal thermoelasticity theory without energy dissipation is used to study the vibration of a nanobeam subjected to ramp-type heating. Classical continuum theory is inherently size independent, while nonlocal elasticity exhibits size dependence. Among other things, this leads to a new expression for the effective nonlocal bending moment as contrasted to its classical counterpart. The thermal problem is addressed in the context of the Green-Naghdi (GN) theory of heat transport without energy dissipation. The governing partial differential equations are solved in the Laplace transform domain by the state space approach of modern control theory. Inverse of Laplace transforms are computed numerically using Fourier expansion techniques. The effects of nonlocality and ramping time parameters on the lateral vibration, temperature, displacement and bending moment are discussed.

  8. Uptake, retention and organ/tissue distribution of 137Cs by Japanese catfish (Silurus asotus Linnaeus)

    International Nuclear Information System (INIS)

    Malek, M.A.; Nakahara, M.; Nakamura, R.

    2004-01-01

    The work describes the uptake, retention/biological elimination and organ/tissue distribution of 137 Cs by freshwater Japanese catfish (Silurus asotus Linnaeus) under laboratory conditions. The fish were divided into three groups based on their size and age and reared in 137 Cs-spiked water. The concentration of 137 Cs in the whole body of the live fish was measured at regular intervals up to 60 days. A significant accumulation of 137 Cs was found, but a steady state condition was not achieved by the end of the experiment. The bioaccumulation factors at steady state and the required time to reach steady state were estimated to be 1.55 and 255 days, 1.76 and 180 days and 1.99 and 160 days for large, medium and small size fish, respectively. To determine the effective half-life of 137 Cs, the fish were transferred and reared in the non-contaminated host water. The concentration of the remaining 137 Cs in the whole body of the live fish was measured up to 66 days. The average effective half-life of 137 Cs in the fish species was found to be ∼142 days for fish of all sizes. The distribution of 137 Cs in different organs/tissues of the fish was determined. Accumulation of 137 Cs in muscle/flesh of the fish was found to be ∼75% of whole body accumulation. The uptake rate and the retention capability of juvenile fish were found to be higher and therefore, these were more susceptible to 137 Cs than adult and old fish, and could be an important source of 137 Cs in the human food chain

  9. General study of ground states in gauged N=2 supergravity theories with symmetric scalar manifolds in 5 dimensions

    International Nuclear Information System (INIS)

    Oegetbil, O.

    2007-01-01

    After reviewing the existing results we give an extensive analysis of the critical points of the potentials of the gauged N=2 Yang-Mills/Einstein supergravity theories coupled to tensor multiplets and hypermultiplets. Our analysis includes all the possible gaugings of all N=2 Maxwell-Einstein supergravity theories whose scalar manifolds are symmetric spaces. In general, the scalar potential gets contributions from R-symmetry gauging, tensor couplings, and hypercouplings. We show that the coupling of a hypermultiplet into a theory whose potential has a nonzero value at its critical point, and gauging a compact subgroup of the hyperscalar isometry group will only rescale the value of the potential at the critical point by a positive factor, and therefore will not change the nature of an existing critical point. However this is not the case for noncompact SO(1,1) gaugings. An SO(1,1) gauging of the hyperisometry will generally lead to de Sitter vacua, which is analogous to the ground states found by simultaneously gauging SO(1,1) symmetry of the real scalar manifold with U(1) R in earlier literature. SO(m,1) gaugings with m>1, which give contributions to the scalar potential only in the magical Jordan family theories, on the other hand, do not lead to de Sitter vacua. Anti-de Sitter vacua are generically obtained when the U(1) R symmetry is gauged. We also show that it is possible to embed certain generic Jordan family theories into the magical Jordan family preserving the nature of the ground states. However the magical Jordan family theories have additional ground states which are not found in the generic Jordan family theories

  10. Reactive barriers for 137Cs retention

    International Nuclear Information System (INIS)

    Krumhansl, James L.; Brady, Patrick V.; Anderson, Howard L.

    2000-01-01

    137 Cs was dispersed globally by cold war activities and, more recently, by the Chernobyl accident. Engineered extraction of 137 Cs from soils and groundwaters is exceedingly difficult. Because the half life of 137 Cs is only 30.2 years, remediation might be more effective (and less costly) if 137 Cs bioavailability could be demonstrably limited for even a few decades by use of a reactive barrier. Essentially permanent isolation must be demonstrated in those few settings where high nuclear level wastes contaminated the environment with 135 Cs (half life 2.3x10 6 years) in addition to 137 Cs. Clays are potentially a low-cost barrier to Cs movement, though their long-term effectiveness remains untested. To identify optimal clays for Cs retention Cs resorption was measured for five common clays: Wyoming Montmorillonite (SWy-1), Georgia Kaolinites (KGa-1 and KGa-2), Fithian Illite (F-Ill), and K-Metabentonite (K-Mbt). Exchange sites were pre-saturated with 0.16 M CsCl for 14 days and readily exchangeable Cs was removed by a series of LiNO 3 and LiCl washes. Washed clay were then placed into dialysis bags and the Cs release to the deionized water outside the bags measured. Release rates from 75 to 139 days for SWy-1, K-Mbt and F- 111 were similar; 0.017 to 0.021% sorbed Cs released per day. Both kaolinites released Cs more rapidly (0.12 to 0.05% of the sorbed Cs per day). In a second set of experiments, clays were doped for 110 days and subjected to an extreme and prolonged rinsing process. All the clays exhibited some capacity for irreversible Cs uptake so most soils have some limited ability to act as a natural barrier to Cs migration. However, the residual loading was greatest on K-Mbt (∼ 0.33 wt% Cs). Thus, this clay would be the optimal material for constructing artificial reactive barriers

  11. Development and Application of Single-Referenced Perturbation and Coupled-Cluster Theories for Excited Electronic States

    Science.gov (United States)

    Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    Recent work on the development of single-reference perturbation theories for the study of excited electronic states will be discussed. The utility of these methods will be demonstrated by comparison to linear-response coupled-cluster excitation energies. Results for some halogen molecules of interest in stratospheric chemistry will be presented.

  12. How Do Use and Comprehension of Mental-State Language Relate to Theory of Mind in Middle Childhood?

    Science.gov (United States)

    Grazzani, Ilaria; Ornaghi, Veronica

    2012-01-01

    This study investigates the relationship between mental-state language and theory of mind in primary school children. The participants were 110 primary school students (mean age = 9 years and 7 months; SD = 12.7 months). They were evenly divided by gender and belonged to two age groups (8- and 10-year-olds). Linguistic, metacognitive and cognitive…

  13. Gender, Language, and Social Influence: A Test of Expectation States, Role Congruity, and Self-Categorization Theories

    Science.gov (United States)

    Reid, Scott A.; Palomares, Nicholas A.; Anderson, Grace L.; Bondad-Brown, Beverly

    2009-01-01

    This study compares self-categorization, expectation states, and role congruity theories' explanations for female influence. Male and female participants (N = 267) listened to a recording of a female speaker who used either tentative or assertive language under conditions that led participants to categorize her as a woman or as college-educated.…

  14. Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics

    Science.gov (United States)

    Xu, Xiaolin

    Solid-state Nuclear Magnetic Resonance (NMR) is one of the premiere biophysical methods that can be applied for addressing the structure and dynamics of biomolecules, including proteins, lipids, and nucleic acids. It illustrates the general problem of determining the average biomolecular structure, including the motional mean-square amplitudes and rates of the fluctuations. Lineshape and relaxtion studies give us a view into the molecular properties under different environments. To help the understanding of NMR theory, both lineshape and relaxation experiments are conducted with hexamethylbezene (HMB). This chemical compound with a simple structure serves as a perfect test molecule. Because of its highly symmetric structure, its motions are not very difficult to understand. The results for HMB set benchmarks for other more complicated systems like membrane proteins. After accumulating a large data set on HMB, we also proceed to develop a completely new method of data analysis, which yields the spectral densities in a body-fixed frame revealing internal motions of the system. Among the possible applications of solid-state NMR spectroscopy, we study the light activation mechanism of visual rhodopsin in lipid membranes. As a prototype of G-protein-coupled receptors, which are a large class of membrane proteins, the cofactor isomerization is triggered by photon absorption, and the local structural change is then propagated to a large-scale conformational change of the protein. Facilitation of the binding of transducin then passes along the visual signal to downstream effector proteins like transducin. To study this process, we introduce 2H labels into the rhodopsin chromophore retinal and the C-terminal peptide of transducin to probe the local structure and dynamics of these two hotspots of the rhodopsin activation process. In addition to the examination of local sites with solid-state 2H NMR spectroscopy, wide angle X-ray scattering (WAXS) provides us the chance of

  15. Determination of {sup 135}Cs and {sup 137}Cs in environmental samples: A review

    Energy Technology Data Exchange (ETDEWEB)

    Russell, B.C., E-mail: ben.russell@npl.co.uk [GAU-Radioanalytical, Ocean and Earth Science, University of Southampton, National Oceanography Centre, Southampton, SO14 3ZH (United Kingdom); National Physical Laboratory, Hampton Road, Teddington, Middlesex, TW11 0LW (United Kingdom); Croudace, Ian W.; Warwick, Phil E. [GAU-Radioanalytical, Ocean and Earth Science, University of Southampton, National Oceanography Centre, Southampton, SO14 3ZH (United Kingdom)

    2015-08-26

    Radionuclides of caesium are environmentally important since they are formed as significant high yield fission products ({sup 135}Cs and {sup 137}Cs) and activation products ({sup 134}Cs and {sup 136}Cs) during nuclear fission. They originate from a range of nuclear activities such as weapons testing, nuclear reprocessing and nuclear fuel cycle discharges and nuclear accidents. Whilst {sup 137}Cs, {sup 134}Cs and {sup 136}Cs are routinely measurable at high sensitivity by gamma spectrometry, routine detection of long-lived {sup 135}Cs by radiometric methods is challenging. This measurement is, however, important given its significance in long-term nuclear waste storage and disposal. Furthermore, the {sup 135}Cs/{sup 137}Cs ratio varies with reactor, weapon and fuel type, and accurate measurement of this ratio can therefore be used as a forensic tool in identifying the source(s) of nuclear contamination. The shorter-lived activation products {sup 134}Cs and {sup 136}Cs have a limited application but provide useful early information on fuel irradiation history and have importance in health physics. Detection of {sup 135}Cs (and {sup 137}Cs) is achievable by mass spectrometric techniques; most commonly inductively coupled plasma mass spectrometry (ICP-MS), as well as thermal ionisation (TIMS), accelerator (AMS) and resonance ionisation (RIMS) techniques. The critical issues affecting the accuracy and detection limits achievable by this technique are effective removal of barium to eliminate isobaric interferences arising from {sup 135}Ba and {sup 137}Ba, and elimination of peak tailing of stable {sup 133}Cs on {sup 135}Cs. Isobaric interferences can be removed by chemical separation, most commonly ion exchange chromatography, and/or instrumental separation using an ICP-MS equipped with a reaction cell. The removal of the peak tailing interference is dependent on the instrument used for final measurement. This review summarizes and compares the analytical procedures

  16. Quantum theory of the electron behaviour in solid states and its application to the theory of superconductivity

    International Nuclear Information System (INIS)

    Rangelov, J.

    1993-01-01

    A physical model of an electron describing the classical Lorentz's electron (LE), nonrelativistic quantum Schroedinger's electron (SE) and relativistic quantum Dirac's electron (DE) has been discovered in order to describe the processes in metals, alloys and chemical compounds. As a result of the new point of view proposed the physical meaning of the basic electron parameters as the classical radius of LE, its self energy and rest mass, proper mechanical moment (MCHM) and frequency of de Broglie's pilot wave and causes for stability of Schroedinger's package of waves and SE's extraordinary behaviour has been discovered. A new physical interpretation of collectivized valence electrons behaviour in solid state has been established. On this basis the real processes ensuring energetically the superconductivity state has been described. All auxiliary processes increasing all superconductivity parameters have been calculated. It is pointed out that the basic parameters of electron-phonon system, electron-phonon interaction and the polarization ability of the crystal lattice structure have to be calculated also. (orig.)

  17. Five years of monitoring Cs-137 And Cs-134 in moss and soil samples in the campania region of Italy after the Chernobyl accident

    International Nuclear Information System (INIS)

    Fontana, C.; Tenero, A.Lo; Musumeci, R.G.; Valeriani, F.

    2000-01-01

    The Central Laboratory of The Italian Red Cross is part of the National Network for the Monitoring of the Environmental Radioactivity in Italy, coordinated by the National Environmental Agency (ANPA). The Central Laboratory took part in the national campaigns for the monitoring of the environmental gamma radioactivity in order to evaluate the deposition of artificial radioactivity on Italian territory after the Chernobyl accident. The distribution of the concentration of artificial radionuclide Cs-137 as reached, in North and Central Italy, the higher values: 2-185 kBq/m 2 and 0-40 kBq/m 2 . This paper presents the data of the concentration of artificial radionuclides Cs-137 and Cs-134 in mosses picked up in four different locations in the Campania Region of Italy with the help of the Department of the State Forestry Corp of S.Gregorio Matese, Vesuvio, Laviano, Piaggine from 1993 to 1998. The deposition of artificial radioactivity on the territory expected after the Chernobyl fallout was evaluated. The content of K-40 was also measured. Soil samples were also taken from the same sites. In this study Hypnum cupressiforme and Homalotecium lutescens mosses were used as bioindicators, available in all Italian ecosystems. The soil and moss samples were gathered according to a national standard procedure. These results, obtained by gamma spectrometry analyses, initially have shown values of medium concentration in mosses in the Campania Region of Cs-137 of 375 Bq/m 2 and of Cs-134 of 16 Bq/m 2 and K-40 of 150 Bq/m 2 in line with the ones of other Italian regions. The results of the average concentrations of the Cs-137 and Cs-134 in the mosses confirm a uniform distribution of post-Chernobyl radioactivity in the regional territory, in the Department of the State Forestry Corp of Vesuvio, Laviano and Piaggine. The results of Cs-137 and Cs-134 of S.Gregorio Matese are in accordance with the previous data relative to the monitoring campaign of mosses in Italy from 1992 to

  18. A Unification between Dynamical System Theory and Thermodynamics Involving an Energy, Mass, and Entropy State Space Formalism

    Directory of Open Access Journals (Sweden)

    Wassim M. Haddad

    2013-05-01

    Full Text Available In this paper, we combine the two universalisms of thermodynamics and dynamical systems theory to develop a dynamical system formalism for classical thermodynamics. Specifically, using a compartmental dynamical system energy flow model involving heat flow, work energy, and chemical reactions, we develop a state-space dynamical system model that captures the key aspects of thermodynamics, including its fundamental laws. In addition, we show that our thermodynamically consistent dynamical system model is globally semistable with system states converging to a state of temperature equipartition. Furthermore, in the presence of chemical reactions, we use the law of mass-action and the notion of chemical potential to show that the dynamic system states converge to a state of temperature equipartition and zero affinity corresponding to a state of chemical equilibrium.

  19. 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.

  20. 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.

  1. 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

  2. Gravity currents in rotating channels. Part 1. Steady-state theory

    Science.gov (United States)

    Hacker, J. N.; Linden, P. F.

    2002-04-01

    A theory is developed for the speed and structure of steady-state non-dissipative gravity currents in rotating channels. The theory is an extension of that of Benjamin (1968) for non-rotating gravity currents, and in a similar way makes use of the steady-state and perfect-fluid (incompressible, inviscid and immiscible) approximations, and supposes the existence of a hydrostatic ‘control point’ in the current some distance away from the nose. The model allows for fully non-hydrostatic and ageostrophic motion in a control volume V ahead of the control point, with the solution being determined by the requirements, consistent with the perfect-fluid approximation, of energy and momentum conservation in V, as expressed by Bernoulli's theorem and a generalized flow-force balance. The governing parameter in the problem, which expresses the strength of the background rotation, is the ratio W = B/R, where B is the channel width and R = (g[prime prime or minute]H)1/2/f is the internal Rossby radius of deformation based on the total depth of the ambient fluid H. Analytic solutions are determined for the particular case of zero front-relative flow within the gravity current. For each value of W there is a unique non-dissipative two-layer solution, and a non-dissipative one-layer solution which is specified by the value of the wall-depth h0. In the two-layer case, the non-dimensional propagation speed c = cf(g[prime prime or minute]H)[minus sign]1/2 increases smoothly from the non-rotating value of 0.5 as W increases, asymptoting to unity for W [rightward arrow] [infty infinity]. The gravity current separates from the left-hand wall of the channel at W = 0.67 and thereafter has decreasing width. The depth of the current at the right-hand wall, h0, increases, reaching the full depth at W = 1.90, after which point the interface outcrops on both the upper and lower boundaries, with the distance over which the interface slopes being 0.881R. In the one-layer case, the wall

  3. Report on the state of research in the 5-dimensional projective unified field theory

    International Nuclear Information System (INIS)

    Schmutzer, Ernst

    2009-01-01

    The author presents a historical sketch of the projective relativity theory before and (with new qualitative arguments) after World War II. Then he treats the development of his Projective Unified Field Theory since 1957 up till now with applications to a closed cosmological model, with the result of a vanishing big bang and satisfying numerical cosmological parameters in good agreement with the experiments. (orig.)

  4. State Education as High-Yield Investment: Human Capital Theory in European Policy Discourse

    Science.gov (United States)

    Gillies, Donald

    2011-01-01

    Human Capital Theory has been an increasingly important phenomenon in economic thought over the last 50 years. The central role it affords to education has become even more marked in recent years as the concept of the "knowledge economy" has become a global concern. In this paper, the prevalence of Human Capital Theory within European…

  5. Resonance scattering by auroral N2+: steady state theory and observations from Svalbard

    Directory of Open Access Journals (Sweden)

    O. Jokiaho

    2009-09-01

    Full Text Available Studies of auroral energy input at high latitudes often depend on observations of emissions from the first negative band of ionised nitrogen. However, these emissions are affected by solar resonance scattering, which makes photometric and spectrographic measurements difficult to interpret. This work is a statistical study from Longyearbyen, Svalbard, Norway, during the solar minimum between January and March 2007, providing a good coverage in shadow height position and precipitation conditions. The High Throughput Imaging Echelle Spectrograph (HiTIES measured three bands of N2+ 1N (0,1, (1,2 and (2,3, and one N2 2P band (0,3 in the magnetic zenith. The brightness ratios of the N2+ bands are compared with a theoretical treatment with excellent results. Balance equations for all important vibrational levels of the three lowest electronic states of the N2+ molecule are solved for steady-state, and the results combined with ion chemistry modelling. Brightnesses of the (0,1, (1,2 and (2,3 bands of N2+ 1N are calculated for a range of auroral electron energies, and different values of shadow heights. It is shown that in sunlit aurora, the brightness of the (0,1 band is enhanced, with the scattered contribution increasing with decreasing energy of precipitation (10-fold enhancements for energies of 100 eV. The higher vibrational bands are enhanced even more significantly. In sunlit aurora the observed 1N (1,2/(0,1 and (2,3/(0,1 ratios increase as a function of decreasing precipitation energy, as predicted by theory. In non-sunlit aurora the N2+ species have a constant proportionality to neutral N2. The ratio of 2P(0,3/1N(0,1 in the morning hours shows a pronounced decrease, indicating enhancement of N2+ 1N emission. Finally we study the relationship of all emissions and their ratios to rotational temperatures. A clear effect is observed on rotational development of the bands. It is possible that greatly enhanced rotational temperatures may be a

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

    International Nuclear Information System (INIS)

    Waalkens, Holger; Schubert, Roman; Wiggins, Stephen

    2008-01-01

    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 the evolution from reactants to products in high dimensional systems. In the classical case this is the standard Poincaré–Birkhoff normal form. In the quantum case we develop a normal form based on the Weyl calculus and an explicit algorithm for computing this quantum normal form. The classical normal form allows us to discover and compute the phase space structures that govern classical reaction dynamics. From this knowledge we are able to provide a direct construction of an energy dependent dividing surface in phase space having the properties that trajectories do not locally 're-cross' the surface and the directional flux across the surface is minimal. Using this, we are able to give a formula for the directional flux through the dividing surface that goes beyond the harmonic approximation. We relate this construction to the flux–flux autocorrelation function which is a standard ingredient in the expression for the reaction rate in the chemistry community. We also give a classical mechanical interpretation of the activated complex as a normally hyperbolic invariant manifold (NHIM), and further describe the structure of the NHIM. The quantum normal form provides us with an efficient algorithm to compute quantum reaction rates and we relate this algorithm to the quantum version of the flux–flux autocorrelation function formalism. The significance of the classical phase space structures for the quantum mechanics of reactions is elucidated by studying the phase space distribution of scattering states. The quantum normal form also provides an efficient way of computing Gamov–Siegert resonances. We relate these resonances to the lifetimes of the quantum activated

  7. Evaluation of the image quality in digital breast tomosynthesis (DBT) employed with a compressed-sensing (CS)-based reconstruction algorithm by using the mammographic accreditation phantom

    Energy Technology Data Exchange (ETDEWEB)

    Park, Yeonok; Cho, Heemoon; Je, Uikyu; Cho, Hyosung, E-mail: hscho1@yonsei.ac.kr; Park, Chulkyu; Lim, Hyunwoo; Kim, Kyuseok; Kim, Guna; Park, Soyoung; Woo, Taeho; Choi, Sungil

    2015-12-21

    In this work, we have developed a prototype digital breast tomosynthesis (DBT) system which mainly consists of an x-ray generator (28 kV{sub p}, 7 mA s), a CMOS-type flat-panel detector (70-μm pixel size, 230.5×339 mm{sup 2} active area), and a rotational arm to move the x-ray generator in an arc. We employed a compressed-sensing (CS)-based reconstruction algorithm, rather than a common filtered-backprojection (FBP) one, for more accurate DBT reconstruction. Here the CS is a state-of-the-art mathematical theory for solving the inverse problems, which exploits the sparsity of the image with substantially high accuracy. We evaluated the reconstruction quality in terms of the detectability, the contrast-to-noise ratio (CNR), and the slice-sensitive profile (SSP) by using the mammographic accreditation phantom (Model 015, CIRS Inc.) and compared it to the FBP-based quality. The CS-based algorithm yielded much better image quality, preserving superior image homogeneity, edge sharpening, and cross-plane resolution, compared to the FBP-based one. - Highlights: • A prototype digital breast tomosynthesis (DBT) system is developed. • Compressed-sensing (CS) based reconstruction framework is employed. • We reconstructed high-quality DBT images by using the proposed reconstruction framework.

  8. Role of physisorption states in molecular scattering: a semilocal density-functional theory study on O2/Ag(111).

    Science.gov (United States)

    Goikoetxea, I; Meyer, J; Juaristi, J I; Alducin, M; Reuter, K

    2014-04-18

    We simulate the scattering of O2 from Ag(111) with classical dynamics simulations performed on a six-dimensional potential energy surface calculated within semilocal density-functional theory. The enigmatic experimental trends that originally required the conjecture of two types of repulsive walls, arising from a physisorption and chemisorption part of the interaction potential, are fully reproduced. Given the inadequate description of the physisorption properties in semilocal density-functional theory, our work casts severe doubts on the prevalent notion to use molecular scattering data as indirect evidence for the existence of such states.

  9. Credible Leadership-In the Eyes of the Follower: A Historical Review of Leadership Theory throughout the Twentieth Century in the United States

    Science.gov (United States)

    Hoffman, Sharon C.

    2008-01-01

    The purpose of this historical review was to trace the credible leadership construct of trustworthiness, integrity, honesty, and consistency in leadership theory development during the last 100 years in the United States. Theory focus, key U.S. pivotal events, and follower importance influenced the construct's occurrence in leadership theory. …

  10. 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.

  11. Experimental studies on the biokinetics of Cs-134 and Cd-109 in the blood cockle (Anadara granosa)

    International Nuclear Information System (INIS)

    Norfaizal Mohamed; Nita Salina Abu Bakar; Zal Uyun Wan Mahmood; Nur Hidaya Dmuliany Mohd Sidek; Zaharudin Ahmad

    2010-01-01

    Bioaccumulation and depuration study under controlled laboratory conditions of Cs and Cd in Anadara granosa collected at coastal Kapar, Selangor was carried out using respective radiotracer, Cs-134 and Cd-109. The radioactivity of Cs-134 and Cd-109 were determined using high resolution hyper germanium detector. Our results demonstrate that Cd-109 was accumulated efficiently by this species, except Cs-134. The steady state concentration factor (CF) for accumulation of Cs-134 and Cd-109 from seawater was estimated to be about 5.86 and 51.31, respectively. For the depuration stage, loss kinetics of Cs-134 and Cd-109 was best described by 2-compartment exponential model. Results shown that A. granosa exposed to Cs-134 have a total loss of 69% in compared to 19 % of Cd-109. Results gained in this experiment are a baseline data to evaluate future released of radioactive material from nuclear power programme facilities within this region. (author)

  12. P-T and T-x projections of phase diagram of CsF-ZrF4 system

    International Nuclear Information System (INIS)

    Karasev, N.M.; Korenev, Yu.M.; Sidorov, L.N.

    1980-01-01

    The CsF-ZrF 4 system has been investigated by the Knudsen effusion method and mass-spectral analysis of vaporization products. A molecular composition of vapour was determined. CsF, Cs 2 F 2 , ZrF 4 , Cs 2 ZrF 6 , CsZrF 5 , CsZr 2 F 9 molecules were found in the saturated vapour of the system. Heats of phase transitions and partial pressures of the molecules detected were determined depending on the melt compositions. Dissociation enthalpies of complex molecules were calculated. P-T and T-x projections of the state diagram of the CsF-ZrF 4 system were constructed

  13. Synchrotron-based photoemission study of electronic structure of the Cs/GaN ultrathin interface

    Science.gov (United States)

    Benemanskaya, G. V.; Kukushkin, S. A.; Dementev, P. A.; Lapushkin, M. N.; Timoshnev, S. N.; Smirnov, D. V.

    2018-03-01

    Electronic structure of the Cs/n-GaN nano-interface has been studied in situ via synchrotron-based photoelectron spectroscopy by excitation in the energy range of 70-400 eV. The GaN sample was grown by an original method of epitaxy of low-defect unstressed nanoscaled films on AlGaN/SiC/Si substrate. Changes in the surface state spectra and in the Ga 3d, Cs 4d, Cs 5p, N 1s core level spectra have been revealed under different cesium coverages. The intrinsic surface states for the clean GaN surface at binding energies of ∼5.0 eV and ∼7.0 eV are attenuated during Cs adsorption. Simultaneously three Cs induced surface states are found to arise. Drastic changes in the surface state spectrum were ascertained and shown to be originated from the local interacting Ga dangling bonds and adsorbed Cs atoms initiating the electron redistribution effect with formation of the semiconductor-like Cs/n-GaN interface.

  14. Properties of Cs-intercalated single wall carbon nanotubes investigated by 133Cs Nuclear Magnetic resonance

    KAUST Repository

    Schmid, Marc R.; Mahfouz, Remi; Bouhrara, Mohamed; Saih, Youssef; Mehring, Michael; Basset, Jean-Marie; Goze-Bac, Christophe; Abou-Hamad, Edy

    2012-01-01

    present within the carbon nanotube bundles. At high concentrations, the Cs (β)+ ions seem to occupy well defined positions relative to the carbon lattice. As a matter of fact, the Korringa relaxation behavior suggests a strong hyperfine coupling between Cs

  15. Current density functional theory in a continuum and lattice Lagrangians: Application to spontaneously broken chiral ground states

    International Nuclear Information System (INIS)

    Rasolt, M.; Vignale, G.

    1992-03-01

    We formulate the current-density functional theory for systems in arbitrarily strong magnetic fields. A set of self-consistent equations comparable to the Kohn-Sham equations for ordinary density functional theory is derived, and proved to be gauge-invariant and to satisfy the continuity equation. These equations of Vignale and Rasolt involve the gauge field corresponding to the external magnetic field as well as a new gauge field generated entirely from the many-body interactions. We next extend this gauge theory (following Rasolt and Vignale) to a lattice Lagrangian believed to be appropriate to a tight-binding Hamiltonian in the presence of an external magnetic field. We finally examine the nature of the ground state of a strongly nonuniform electron gas in the presence of this many-body self-induced gauge field

  16. Physicochemical properties of the CsNO/sub 2/-CsOH-H/sub 2/O ternary system at 25/sup 0/C

    Energy Technology Data Exchange (ETDEWEB)

    Protsenko, P I; Medvedev, B S; Popova, T B [Rostovskii-na-Donu Gosudarstvennyj Univ. (USSR); Kalmytskij Gosudarstvennyj Univ., Ehlista (USSR))

    1977-01-01

    Saturated solutions of the CsNO/sub 2/ - CsOH- H/sub 2/O system have been studied at 25 deg C by the methods of solubility, viscosity, electric conductivity, refractometry and density. It is stated that no solid phase of a new composition is formed in the system. While adding hydroxide to the saturated solution of cesium nitride, a considerable salting-out of the latter takes place.

  17. Biomechanical energy harvesting from human motion: theory, state of the art, design guidelines, and future directions.

    Science.gov (United States)

    Riemer, Raziel; Shapiro, Amir

    2011-04-26

    Biomechanical energy harvesting from human motion presents a promising clean alternative to electrical power supplied by batteries for portable electronic devices and for computerized and motorized prosthetics. We present the theory of energy harvesting from the human body and describe the amount of energy that can be harvested from body heat and from motions of various parts of the body during walking, such as heel strike; ankle, knee, hip, shoulder, and elbow joint motion; and center of mass vertical motion. We evaluated major motions performed during walking and identified the amount of work the body expends and the portion of recoverable energy. During walking, there are phases of the motion at the joints where muscles act as brakes and energy is lost to the surroundings. During those phases of motion, the required braking force or torque can be replaced by an electrical generator, allowing energy to be harvested at the cost of only minimal additional effort. The amount of energy that can be harvested was estimated experimentally and from literature data. Recommendations for future directions are made on the basis of our results in combination with a review of state-of-the-art biomechanical energy harvesting devices and energy conversion methods. For a device that uses center of mass motion, the maximum amount of energy that can be harvested is approximately 1 W per kilogram of device weight. For a person weighing 80 kg and walking at approximately 4 km/h, the power generation from the heel strike is approximately 2 W. For a joint-mounted device based on generative braking, the joints generating the most power are the knees (34 W) and the ankles (20 W). Our theoretical calculations align well with current device performance data. Our results suggest that the most energy can be harvested from the lower limb joints, but to do so efficiently, an innovative and light-weight mechanical design is needed. We also compared the option of carrying batteries to the

  18. Fixation of Cs to marine sediments estimated by a stochastic modelling approach.

    Science.gov (United States)

    Børretzen, Peer; Salbu, Brit

    2002-01-01

    Dumping of nuclear waste in the Kara Sea represents a potential source of radioactive contamination to the Arctic Seas in the future. The mobility of 137Cs ions leached from the waste will depend on the interactions with sediment particles. Whether sediments will act as a continuous permanent sink for released 137Cs, or contaminated sediments will serve as a diffuse source of 137Cs in the future, depends on the interaction kinetics and binding mechanisms involved. The main purpose of this paper is to study the performance of different stochastic models using kinetic information to estimate the time needed for Cs ions to become irreversibly fixed within the sediments. The kinetic information was obtained from 134Cs tracer sorption and desorption (sequential extractions) experiments, conducted over time, using sediments from the Stepovogo Fjord waste dumping site, on the east coast of Novaya Zemlya. Results show that 134Cs ions interact rapidly with the surfaces of the Stepovogo sediment, with an estimated distribution coefficient Kd(eq) of 300 ml/g (or 13m2/g), and the 134Cs ions are increasingly irreversibly fixed to the sediment over time. For the first time, stochastic theory has been utilised for sediment-seawater systems to estimate the mean residence times (MRTs) of Cs ions in operationally defined sediment phases described by compartment models. In the present work, two different stochastic models (i) a Markov process model (MP) being analogous to deterministic compartment models, and (ii) a semi-Markov process model (SMP) which should be physically more relevant for inhomogeneous systems, have been compared. As similar results were obtained using the two models, the less complicated MP model was utilised to predict the time needed for an average Cs ion to become irreversibly fixed in the Stepovogo sediments. According the model, approximately 1100 days of contact time between Cs ions and sediments is needed before 50% of the 134Cs ion becomes fixed in the

  19. Efficient Basis Formulation for (1+1-Dimensional SU(2 Lattice Gauge Theory: Spectral Calculations with Matrix Product States

    Directory of Open Access Journals (Sweden)

    Mari Carmen Bañuls

    2017-11-01

    Full Text Available We propose an explicit formulation of the physical subspace for a (1+1-dimensional SU(2 lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

  20. Efficient basis formulation for 1+1 dimensional SU(2) lattice gauge theory. Spectral calculations with matrix product states

    Energy Technology Data Exchange (ETDEWEB)

    Banuls, Mari Carmen; Cirac, J. Ignacio; Kuehn, Stefan [Max-Planck-Institut fuer Quantenoptik (MPQ), Garching (Germany); Cichy, Krzysztof [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik; Adam Mickiewicz Univ., Poznan (Poland). Faculty of Physics; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2017-07-20

    We propose an explicit formulation of the physical subspace for a 1+1 dimensional SU(2) lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

  1. Efficient basis formulation for 1+1 dimensional SU(2) lattice gauge theory. Spectral calculations with matrix product states

    International Nuclear Information System (INIS)

    Banuls, Mari Carmen; Cirac, J. Ignacio; Kuehn, Stefan; Cichy, Krzysztof; Adam Mickiewicz Univ., Poznan; Jansen, Karl

    2017-01-01

    We propose an explicit formulation of the physical subspace for a 1+1 dimensional SU(2) lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

  2. Efficient Basis Formulation for (1 +1 )-Dimensional SU(2) Lattice Gauge Theory: Spectral Calculations with Matrix Product States

    Science.gov (United States)

    Bañuls, Mari Carmen; Cichy, Krzysztof; Cirac, J. Ignacio; Jansen, Karl; Kühn, Stefan

    2017-10-01

    We propose an explicit formulation of the physical subspace for a (1 +1 )-dimensional SU(2) lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

  3. Ground-state properties of exotic nuclei near Z=40 in the relativistic mean-field theory

    International Nuclear Information System (INIS)

    Lalazissis, G.A.

    1995-01-01

    Study of the ground-state properties of Kr, Sr and Zr isotopes has been performed in the framework of the relativistic mean-field (RMF) theory using the recently proposed relativistic parameter set NL-SH. It is shown that the RMF theory provides an unified and excellent description of the binding energies, isotope shifts and deformation properties of nuclei over a large range of isospin in the Z=40 region. It is observed that the RMF theory with the force NL-SH is able to describe the anomalous kinks in isotope shifts in Kr and Sr nuclei, the problem which has hitherto remained unresolved. This is in contrast with the density-dependent Skyrme-Hartree-Fock approach which does not reproduce the behaviour of the isotope shifts about shell closure. On the Zr chain we predict that the isotope shifts exhibit a trend similar to that of the Kr and Sr nuclei. The RMF theory also predicts shape coexistence in heavy Sr isotopes. Several dramatic shape transitions in the isotopic chains are shown to be a general feature of nuclei in this region. A comparison of the properties with the available mass models shows that the results of the RMF theory are generally in accord with the predictions of the finite-range droplet model. ((orig.))

  4. Vertical profile of 137Cs in soil.

    Science.gov (United States)

    Krstić, D; Nikezić, D; Stevanović, N; Jelić, M

    2004-12-01

    In this paper, a vertical distribution of 137Cs in undisturbed soil was investigated experimentally and theoretically. Soil samples were taken from the surroundings of the city of Kragujevac in central Serbia during spring-summer of 2001. The sampling locations were chosen in such a way that the influence of soil characteristics on depth distribution of 137Cs in soil could be investigated. Activity of 137Cs in soil samples was measured using a HpGe detector and multi-channel analyzer. Based on vertical distribution of 137Cs in soil which was measured for each of 10 locations, the diffusion coefficient of 137Cs in soil was determined. In the next half-century, 137Cs will remain as the source of the exposure. Fifteen years after the Chernobyl accident, and more than 30 years after nuclear probes, the largest activity of 137Cs is still within 10 cm of the upper layer of the soil. This result confirms that the penetration of 137Cs in soil is a very slow process. Experimental results were compared with two different Green functions and no major differences were found between them. While both functions fit experimental data well in the upper layer of soil, the fitting is not so good in deeper layers. Although the curves obtained by these two functions are very close to each other, there are some differences in the values of parameters acquired by them.

  5. 137Cs concentration in some Philippine foods

    International Nuclear Information System (INIS)

    dela Cruz, B.; Marzan, A.M.; Lagmay, N.; Anden, A.

    1977-01-01

    The current investigation being made by the Philippine Atomic Research Center on the 137 Cs content of the different foods commonly used by the Filipinos is described and preliminary results are reported. The 137 Cs content is determined radiochemically only for the edible portion of the food

  6. Antidiabetic Theory of Superconducting State Transition: Phonons and Strong Electron Correlations the Old Physics and New Aspects

    International Nuclear Information System (INIS)

    Banacky, P.

    2010-01-01

    Complex electronic ground state of molecular and solid state system is analyzed on the ab initio level beyond the adiabatic Born-Oppenheimer approximation (BOA). The attention is focused on the band structure fluctuation (BSF) at Fermi level, which is induced by electron-phonon coupling in superconductors, and which is absent in the non-superconducting analogues. The BSF in superconductors results in breakdown of the adiabatic BOA. At these circumstances, chemical potential is substantially reduced and system is stabilized (effect of nuclear dynamics) in the anti adiabatic state at broken symmetry with a gap(s) in one-particle spectrum. Distorted nuclear structure has fluxional character and geometric degeneracy of the anti adiabatic ground state enables formation of mobile bipolarons in real space. It has been shown that an effective attractive e-e interaction (Cooper-pair formation) is in fact correction to electron correlation energy at transition from adiabatic into anti adiabatic ground electronic state. In this respect, Cooper-pair formation is not the primary reason for transition into superconducting state, but it is a consequence of anti adiabatic state formation. It has been shown that thermodynamic properties of system in anti adiabatic state correspond to thermodynamics of superconducting state. Illustrative application of the theory for different types of superconductors is presented.

  7. An application of vector coherent state theory to the SO95) proton-neutron quasi-spin algebra

    International Nuclear Information System (INIS)

    Berej, W.

    2002-01-01

    Vector coherent state theory (VCS), developed for computing Lie group and Lie algebra representations and coupling coefficients, has been used for many groups of interest an actual physics applications. It is shown that VCS construction of a rotor type can be performed for the SO(5) ∼ Sp(4) quasi-spin group where the relevant physical subgroup SU(2) x U(1) is generalized by the isospin operators and the number of particle operators [ru

  8. On surface states and star-subalgebras in string field theory

    Energy Technology Data Exchange (ETDEWEB)

    Fuchs, Ehud [Max Planck Insitut fuer Gravitationsphysik, Albert Einstein Institut, 14476 Golm (Germany); Kroyter, Michael [School of Physics and Astronomy, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Ramat Aviv, 69978 (Israel)]. E-mail: mikroyt@post.tau.ac.il

    2004-10-01

    We elaborate on the relations between surface states and squeezed states. First, we investigate two different criteria for determining whether a matter sector squeezed state is also a surface state and show that the two criteria are equivalent. Then, we derive similar criteria for the ghost sector. Next, we refine the criterion for determining whether a surface state is in H{sub k}{sup 2}, the subalgebra of squeezed states obeying [S,K{sub 1}{sup 2}]=0. This enables us to find all the surface states of the H{sub k}{sup 2} subalgebra, and show that it consists only of wedge states and (hybrid) butterflies. Finally, we investigate generalizations of this criterion and find an infinite family of surface states subalgebras, whose surfaces are described using a 'generalized Schwarz-Christoffel' mapping. (author)

  9. {sup 137}Cs in northern Adriatic sediments

    Energy Technology Data Exchange (ETDEWEB)

    Barisic, D; Lulic, S; Vdovic, N; Vertacnik, A [Center for Marine Research - Department Zagreb, ' Ruder Boskovic' Institute, Zagreb (Croatia); Juracic, M [Department of Geology, Faculty of Natural Sciences, University of Zagreb, Zagreb (Croatia)

    1996-01-01

    The activity of {sup 137}Cs in shallow northern Adriatic sediments was obtained on the basis of measurement results from 25 sediment box cores, sampled during the Adriatic Scientific COoperation Program (ASCOP) 16 cruise in the summer 1990. {sup 137}Cs was determined in surface sediments (0-3 cm) and 12-15 cm-deep sediment. It was found that the lowest caesium concentrations correspond to sands, which are spread along the Croatian coast. Parallel to the Italian coast, {sup 137}Cs concentrations in pelites are the highest. It seems that the influence of Po River is significant for {sup 137}Cs activities in recent marine sediments along Italian coast south of Po River delta. Significantly higher {sup 137}Cs activities in 0-3 cm sediment layer can be attributed to the deposition caused by Chernobyl accident. (author)

  10. 137Cs in northern Adriatic sediments

    International Nuclear Information System (INIS)

    Barisic, D.; Lulic, S.; Vdovic, N.; Vertacnik, A.; Juracic, M.

    1996-01-01

    The activity of 137 Cs in shallow northern Adriatic sediments was obtained on the basis of measurement results from 25 sediment box cores, sampled during the Adriatic Scientific COoperation Program (ASCOP) 16 cruise in the summer 1990. 137 Cs was determined in surface sediments (0-3 cm) and 12-15 cm-deep sediment. It was found that the lowest caesium concentrations correspond to sands, which are spread along the Croatian coast. Parallel to the Italian coast, 137 Cs concentrations in pelites are the highest. It seems that the influence of Po River is significant for 137 Cs activities in recent marine sediments along Italian coast south of Po River delta. Significantly higher 137 Cs activities in 0-3 cm sediment layer can be attributed to the deposition caused by Chernobyl accident. (author)

  11. Cs2UPd3Se6

    Directory of Open Access Journals (Sweden)

    George N. Oh

    2011-02-01

    Full Text Available Dicaesium uranium(IV tripalladium(II hexaselenide, Cs2UPd3Se6, crystallizes in the space group Fmmm in the Ba2NaCu3O6 structure type. The asymmetric unit comprises the following atoms with site symmetries as shown: U1 (mm2, Cs1 (222, Cs2 (m2m, Pd1 (.m., Pd2 (2mm, Se1 (m.., and Se2 (1. This layered structure contains six edge-sharing square-planar [PdSe4] units that form a hexagon. These, in turn, edge-share with [USe6] trigonal–prismatic units, forming an extended layer parallel to (010. The layers are stacked along [010]. They are staggered, and are separated by the Cs atoms. The Cs atoms are either coordinated in a square antiprism of Se atoms or are ten-coordinate, with one square face and the opposite face hexagonal.

  12. Radiative bound-state formation in unbroken perturbative non-Abelian theories and implications for dark matter

    OpenAIRE

    Harz, Julia; Petraki, Kalliopi

    2018-01-01

    We compute the cross-sections for the radiative capture of non-relativistic particles into bound states, in unbroken perturbative non-Abelian theories. We find that the formation of bound states via emission of a gauge boson can be significant for a variety of dark matter models that feature non-Abelian long-range interactions, including multi-TeV scale WIMPs and dark matter co-annihilating with coloured partners. Our results disagree with previous computations, on the relative sign of the Ab...

  13. Mobility of Rb{sup +} and Cs{sup +} ions in gases at high pressures; Mobilite des ions Rb{sup +} et Cs{sup +} dans les gaz a haute pression

    Energy Technology Data Exchange (ETDEWEB)

    Bacconnet, E. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-07-01

    A theoretical study and mobility measurements have been made of Rb{sup +} and Cs{sup +} ions moving in gases at high pressures (10{sup -2} to 25 kg/cm{sup 2}). The theoretical study has been effected using the results of P. Langevin who considers the ions and molecules as elastic spheres and takes into account the electrical polarization forces. The practical work has been carried out using the Rb{sup +} and Cs{sup +} ions emitted by a thermal source; for the measurement of their velocity the method using an ionic beam cut by four grids was employed. Since the source does not work in atmospheres containing oxygen (even in the combined state) the tests only involved pure gases: nitrogen, argon, helium at pressures of from 10{sup -2} to 12 kg/cm{sup 2}. The overall results show that the Rb{sup +} and Cs{sup +} ionic mobilities are very similar and that for fairly-short times spent by the ions in the gas, the measurement results are in agreement with theory. An increase in these times favours a degradation of the ions, which always leads to a decrease in the mobility. This effect is most marked in helium. The gases argon and nitrogen behave identically towards Rb{sup +} and Cs{sup +} ions. (author) [French] Une etude theorique et des mesures de mobilite ont ete effectuees pour des ions Rb{sup +} et Cs{sup +} se deplacant dans des gaz a haute pression (10{sup -2} a 25 kg/cm{sup 2}). L'etude theorique a ete effectuee en utilisant les resultats de P. Langevin qui assimile les ions et les molecules a des spheres elastiques et tient compte des forces de polarisation electrique. L'etude pratique a ete realisee en utilisant des ions Rb{sup +} et Cs{sup +} emis par une source thermique et pour la mesure de leur vitesse, la methode de coupure du faisceau ionique au moyen de quatre grilles a ete adoptee. La source ne fonctionnant pas dans des atmospheres contenant de l'oxygene (meme a l'etat combine) les essais ont seulement porte sur des gaz purs: azote

  14. Mobility of Rb{sup +} and Cs{sup +} ions in gases at high pressures; Mobilite des ions Rb{sup +} et Cs{sup +} dans les gaz a haute pression

    Energy Technology Data Exchange (ETDEWEB)

    Bacconnet, E [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-07-01

    A theoretical study and mobility measurements have been made of Rb{sup +} and Cs{sup +} ions moving in gases at high pressures (10{sup -2} to 25 kg/cm{sup 2}). The theoretical study has been effected using the results of P. Langevin who considers the ions and molecules as elastic spheres and takes into account the electrical polarization forces. The practical work has been carried out using the Rb{sup +} and Cs{sup +} ions emitted by a thermal source; for the measurement of their velocity the method using an ionic beam cut by four grids was employed. Since the source does not work in atmospheres containing oxygen (even in the combined state) the tests only involved pure gases: nitrogen, argon, helium at pressures of from 10{sup -2} to 12 kg/cm{sup 2}. The overall results show that the Rb{sup +} and Cs{sup +} ionic mobilities are very similar and that for fairly-short times spent by the ions in the gas, the measurement results are in agreement with theory. An increase in these times favours a degradation of the ions, which always leads to a decrease in the mobility. This effect is most marked in helium. The gases argon and nitrogen behave identically towards Rb{sup +} and Cs{sup +} ions. (author) [French] Une etude theorique et des mesures de mobilite ont ete effectuees pour des ions Rb{sup +} et Cs{sup +} se deplacant dans des gaz a haute pression (10{sup -2} a 25 kg/cm{sup 2}). L'etude theorique a ete effectuee en utilisant les resultats de P. Langevin qui assimile les ions et les molecules a des spheres elastiques et tient compte des forces de polarisation electrique. L'etude pratique a ete realisee en utilisant des ions Rb{sup +} et Cs{sup +} emis par une source thermique et pour la mesure de leur vitesse, la methode de coupure du faisceau ionique au moyen de quatre grilles a ete adoptee. La source ne fonctionnant pas dans des atmospheres contenant de l'oxygene (meme a l'etat combine) les essais ont seulement porte sur des gaz purs: azote, argon, helium et pour

  15. Discrete state moduli of string theory from c=1 matrix model

    CERN Document Server

    Dhar, A; Wadia, S R; Dhar, Avinash; Mandal, Gautam; Wadia, Spenta R

    1995-01-01

    We propose a new formulation of the space-time interpretation of the c=1 matrix model. Our formulation uses the well-known leg-pole factor that relates the matrix model amplitudes to that of the 2-dimensional string theory, but includes fluctuations around the fermi vacuum on {\\sl both sides} of the inverted harmonic oscillator potential of the double-scaled model, even when the fluctuations are small and confined entirely within the asymptotes in the phase plane. We argue that including fluctuations on both sides of the potential is essential for a consistent interpretation of the leg-pole transformed theory as a theory of space-time gravity. We reproduce the known results for the string theory tree level scattering amplitudes for flat space and linear dilaton background as a special case. We show that the generic case corresponds to more general space-time backgrounds. In particular, we identify the parameter corresponding to background metric perturbation in string theory (black hole mass) in terms of the ...

  16. Concentration factors for Cs-137 in marine algae from Japanese coastal waters

    International Nuclear Information System (INIS)

    Tateda, Yutaka; Koyanagi, Taku.

    1994-01-01

    Concentration factors (CF: Bq·kg -1 in wet algae/Bq·kg -1 in filtered seawater) for Cs-137 in Japanese coastal algae, were investigated during 1984-1990. Cs-137/Cs (stable) atom ratios were also examined to clarify the distribution equilibrium of Cs-137 in marine algae and sea water. The CFs in marine algae were within the range of 5.4-92, and the geometric mean of CF was 28±2 (standard error) in Japanese coastal species. The CFs in edible species were within the range of 5.4-67, and the geometric means of CF was 26±4 (standard error). The values of Cs-137/Cs atom ratios in marine algae and sea water indicated that Cs-137 reached an equilibrium state in partition between algae and sea water. Therefore, the CF value obtained in the present study can be regarded as an equilibrated value. Our results showed that hte CF for Cs-137 in Japanese coastal algae were consistent with the Japanese guideline CFs, but were smaller than the recommended value by IAEA. (author)

  17. Neutron diffraction and thermal studies of amorphous CS2 realised by low-temperature vapour deposition

    International Nuclear Information System (INIS)

    Yamamuro, O.; Matsuo, T.; Onoda-Yamamuro, N.; Takeda, K.; Munemura, H.; Tanaka, S.; Misawa, M.

    2003-01-01

    We have succeeded in preparing amorphous carbon disulphide (CS 2 ) by depositing its vapour on a cold substrate at 10 K. Complete formation of the amorphous state has been confirmed by neutron diffraction and differential thermal analysis (DTA). The amorphous sample crystallized at ca. 70 K, which is lower than the hypothetical glass transition temperature (92 K) estimated from the DTA data of the (CS 2 ) x (S 2 Cl 2 ) 1-x binary mixture. CS 2 , a symmetric linear tri-atomic molecule, is the simplest of the amorphized molecular substances whose structural and thermal information has been reported so far. Comparison of the static structure factors S(Q) has shown that the orientational correlation of CS 2 molecules may be much stronger in the amorphous state than in the liquid state at higher temperature. (authors)

  18. Social Network Project for IDEAL in CS5604

    OpenAIRE

    Harb, Islam; Jin, Yilong; Cedeno, Vanessa; Mallampati, Sai Ravi Kiran; Bulusu, Bhaskara Srinivasa Bharadwaj

    2015-01-01

    The IDEAL (Integrated Digital Event Archiving and Library) project involves VT faculty, staff, and students, along with collaborators around the world, in archiving important events and integrating the digital library, and archiving approaches to support the Research and Development related to important events. An objective of the CS5604 (Information Retrieval), Spring 2015 course, was to build a state-of-the-art information retrieval system, in support of the IDEAL project. Students were di...

  19. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

    International Nuclear Information System (INIS)

    Zarycz, M. Natalia C.; Provasi, Patricio F.; Sauer, Stephan P. A.

    2015-01-01

    It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH 4 , NH 3 , H 2 O, SiH 4 , PH 3 , SH 2 , C 2 H 2 , C 2 H 4 , and C 2 H 6 . The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states

  20. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

    Energy Technology Data Exchange (ETDEWEB)

    Zarycz, M. Natalia C., E-mail: mnzarycz@gmail.com; Provasi, Patricio F., E-mail: patricio@unne.edu.ar [Department of Physics, University of Northeastern - CONICET, Av. Libertad 5500, Corrientes W3404AAS (Argentina); Sauer, Stephan P. A., E-mail: sauer@kiku.dk [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

    2015-12-28

    It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH{sub 4}, NH{sub 3}, H{sub 2}O, SiH{sub 4}, PH{sub 3}, SH{sub 2}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.