WorldWideScience

Sample records for ground initial state

  1. Quantum quenches in the thermodynamic limit. II. Initial ground states

    Science.gov (United States)

    Rigol, Marcos

    2014-09-01

    A numerical linked-cluster algorithm was recently introduced to study quantum quenches in the thermodynamic limit starting from thermal initial states [M. Rigol, Phys. Rev. Lett. 112, 170601 (2014), 10.1103/PhysRevLett.112.170601]. Here, we tailor that algorithm to quenches starting from ground states. In particular, we study quenches from the ground state of the antiferromagnetic Ising model to the XXZ chain. Our results for spin correlations are shown to be in excellent agreement with recent analytical calculations based on the quench action method. We also show that they are different from the correlations in thermal equilibrium, which confirms the expectation that thermalization does not occur in general in integrable models even if they cannot be mapped to noninteracting ones.

  2. Nuclear ground state

    International Nuclear Information System (INIS)

    Negele, J.W.

    1975-01-01

    The nuclear ground state is surveyed theoretically, and specific suggestions are given on how to critically test the theory experimentally. Detailed results on 208 Pb are discussed, isolating several features of the charge density distributions. Analyses of 208 Pb electron scattering and muonic data are also considered. 14 figures

  3. Singlet Ground State Magnetism:

    DEFF Research Database (Denmark)

    Loidl, A.; Knorr, K.; Kjems, Jørgen

    1979-01-01

    The magneticGamma 1 –Gamma 4 exciton of the singlet ground state system TbP has been studied by inelastic neutron scattering above the antiferromagnetic ordering temperature. Considerable dispersion and a pronounced splitting was found in the [100] and [110] directions. Both the band width...... and the splitting increased rapidly as the transition temperature was approached in accordance with the predictions of the RPA-theory. The dispersion is analysed in terms of a phenomenological model using interactions up to the fourth nearest neighbour....

  4. Ground-State of Water

    Science.gov (United States)

    Saltzman, Emily; Carey, Mike; Fessatidis, Vassilios; Mancini, Jay D.; Bowen, Samuel P.

    2002-03-01

    The study of the ground-state properties of molecular systems has long been the focus of both quantum chemists as well as physicists. In general, most of the calculational methods are dependent on the use of high-power computers to generate large basis states. Such schemes as the full-configuration-interaction method, coupled-pair functionals and its modification, Moller-Plesset perturbation theory as well as both the restricted and unrestricted Hartree-Fock schemes have been used not only for ground-state calculations but also to calculate electron correlation energies. In general such schemes are limited to those basis which are constructed from single Slatter determinant. Here we wish to study the ground-state of water as well as hydrogen fluoride using the recently developed canonical sequence scheme which is a calculational cousin of the Connected Moments Expansion of Cioslowski. Comparisons are then made with other methods [for example P.J. Knowles Chem. Phys. Lett. 134, 512 (1987)].

  5. Ground Operations Demonstration Unit for Liquid Hydrogen Initial Test Results

    Science.gov (United States)

    Notardonato, W. U.; Johnson, W. L.; Swanger, A. M.; Tomsik, T.

    2015-01-01

    NASA operations for handling cryogens in ground support equipment have not changed substantially in 50 years, despite major technology advances in the field of cryogenics. NASA loses approximately 50% of the hydrogen purchased because of a continuous heat leak into ground and flight vessels, transient chill down of warm cryogenic equipment, liquid bleeds, and vent losses. NASA Kennedy Space Center (KSC) needs to develop energy-efficient cryogenic ground systems to minimize propellant losses, simplify operations, and reduce cost associated with hydrogen usage. The GODU LH2 project has designed, assembled, and started testing of a prototype storage and distribution system for liquid hydrogen that represents an advanced end-to-end cryogenic propellant system for a ground launch complex. The project has multiple objectives including zero loss storage and transfer, liquefaction of gaseous hydrogen, and densification of liquid hydrogen. The system is unique because it uses an integrated refrigeration and storage system (IRAS) to control the state of the fluid. This paper will present and discuss the results of the initial phase of testing of the GODU LH2 system.

  6. PEPS as ground states: Degeneracy and topology

    Science.gov (United States)

    Schuch, Norbert; Cirac, Ignacio; Pérez-García, David

    2010-10-01

    We introduce a framework for characterizing Matrix Product States (MPS) and Projected Entangled Pair States (PEPS) in terms of symmetries. This allows us to understand how PEPS appear as ground states of local Hamiltonians with finitely degenerate ground states and to characterize the ground state subspace. Subsequently, we apply our framework to show how the topological properties of these ground states can be explained solely from the symmetry: We prove that ground states are locally indistinguishable and can be transformed into each other by acting on a restricted region, we explain the origin of the topological entropy, and we discuss how to renormalize these states based on their symmetries. Finally, we show how the anyonic character of excitations can be understood as a consequence of the underlying symmetries.

  7. State nuclear initiatives in the United States

    International Nuclear Information System (INIS)

    Strauss, P.L.; Stoiber, C.R.

    1977-01-01

    The paper deals with State nuclear initiatives regarding the role of nuclear power in the energy future of the United States. The question of whether and under what circumstances nuclear facilities should be used to generate electricity was put to the popular vote in several States in 1976. Some general principles of Federal-State relations are discussed with specific reference to nuclear regulations. The initiative mechanism itself is described as well as its legal form and background. The parallel developments in the State and Federal legislative consideration of nuclear issues is reviewed and the suggested reasons for the defeat of the proposals in the seven States concerned are discussed. Finally, the author draws some conclusions on the effects of the 1976 initiatives on future decision-making in the US on energy policy in general and nuclear power in particular. (NEA) [fr

  8. Search for the QCD ground state

    International Nuclear Information System (INIS)

    Reuter, M.; Wetterich, C.

    1994-05-01

    Within the Euclidean effective action approach we propose criteria for the ground state of QCD. Despite a nonvanishing field strength the ground state should be invariant with respect to modified Poincare transformations consisting of a combination of translations and rotations with suitable gauge transformations. We have found candidate states for QCD with four or more colours. The formation of gluon condensates shows similarities with the Higgs phenomenon. (orig.)

  9. Proven Innovations and New Initiatives in Ground System Development

    Science.gov (United States)

    Gunn, Jody M.

    2006-01-01

    The state-of-the-practice for engineering and development of Ground Systems has evolved significantly over the past half decade. Missions that challenge ground system developers with significantly reduced budgets in spite of requirements for greater and previously unimagined functionality are now the norm. Making the right trades early in the mission lifecycle is one of the key factors to minimizing ground system costs. The Mission Operations Strategic Leadership Team at the Jet Propulsion Laboratory has spent the last year collecting and working through successes and failures in ground systems for application to future missions.

  10. Tracking the embryonic stem cell transition from ground state pluripotency

    NARCIS (Netherlands)

    Kalkan, T.; Olova, N.; Roode, M.; Mulas, C.; Lee, H.J.; Nett, I.; Marks, H.; Walker, R.; Stunnenberg, H.; Lilley, K.S.; Nichols, J.; Reik, W.; Bertone, P.; Smith, A.

    2017-01-01

    Mouse embryonic stem (ES) cells are locked into self-renewal by shielding from inductive cues. Release from this ground state in minimal conditions offers a system for delineating developmental progression from naive pluripotency. Here we examined the initial transition process. The ES cell

  11. Entropy of the Bose-Einstein-condensate ground state: Correlation versus ground-state entropy

    Science.gov (United States)

    Kim, Moochan B.; Svidzinsky, Anatoly; Agarwal, Girish S.; Scully, Marlan O.

    2018-01-01

    Calculation of the entropy of an ideal Bose-Einstein condensate (BEC) in a three-dimensional trap reveals unusual, previously unrecognized, features of the canonical ensemble. It is found that, for any temperature, the entropy of the Bose gas is equal to the entropy of the excited particles although the entropy of the particles in the ground state is nonzero. We explain this by considering the correlations between the ground-state particles and particles in the excited states. These correlations lead to a correlation entropy which is exactly equal to the contribution from the ground state. The correlations themselves arise from the fact that we have a fixed number of particles obeying quantum statistics. We present results for correlation functions between the ground and excited states in a Bose gas, so as to clarify the role of fluctuations in the system. We also report the sub-Poissonian nature of the ground-state fluctuations.

  12. Proven Innovations and New Initiatives in Ground System Development: Reducing Costs in the Ground System

    Science.gov (United States)

    Gunn, Jody M.

    2006-01-01

    The state-of-the-practice for engineering and development of Ground Systems has evolved significantly over the past half decade. Missions that challenge ground system developers with significantly reduced budgets in spite of requirements for greater and previously unimagined functionality are now the norm. Making the right trades early in the mission lifecycle is one of the key factors to minimizing ground system costs. The Mission Operations Strategic Leadership Team at the Jet Propulsion Laboratory has spent the last year collecting and working through successes and failures in ground systems for application to future missions.

  13. Factorized ground state in dimerized spin chains

    Energy Technology Data Exchange (ETDEWEB)

    Giorgi, Gian Luca, E-mail: gianluca@ifisc.uib-csic.e [Institute for Cross-Disciplinary Physics and Complex Systems, IFISC (CSIC-UIB), Campus Universitat Illes Balears, E-07122 Palma de Mallorca (Spain)

    2010-09-01

    The possibility of observing factorized ground states in dimerized spin systems is studied. A set of sufficient conditions is derived which allows one to establish whether or not it is possible to have factorization both in nearest-neighbour and long-range Hamiltonians. These conditions can be derived by forcing factorization for each of the pairwise terms of the total Hamiltonian. Due to the peculiar structure of a dimerized chain, an antiferromagnetic factorized ground state of the kind |nearr), |nearr), |nwarr), |nwarr) (forbidden in regular chains) is possible.

  14. Trapped Antihydrogen in Its Ground State

    CERN Document Server

    Gabrielse, G.; Kolthammer, W.S.; McConnell, R.; Richerme, P.; Grzonka, D.; Oelert, W.; Sefzick, T.; Zielinski, M.; Fitzakerley, D.W.; George, M.C.; Hessels, E.A.; Storry, C.H.; Weel, M.; Müllers, A.; Walz, J.

    2012-03-16

    Antihydrogen atoms are confined in an Ioffe trap for 15 to 1000 seconds -- long enough to ensure that they reach their ground state. Though reproducibility challenges remain in making large numbers of cold antiprotons and positrons interact, 5 +/- 1 simultaneously-confined ground state atoms are produced and observed on average, substantially more than previously reported. Increases in the number of simultaneously trapped antithydrogen atoms H are critical if laser-cooling of trapped antihydrogen is to be demonstrated, and spectroscopic studies at interesting levels of precision are to be carried out.

  15. Thermodynamic Ground States of Complex Oxide Heterointerfaces

    DEFF Research Database (Denmark)

    Gunkel, F.; Hoffmann-Eifert, S.; Heinen, R. A.

    2017-01-01

    The formation mechanism of 2-dimensional electron gases (2DEGs) at heterointerfaces between nominally insulating oxides is addressed with a thermodynamical approach. We provide a comprehensive analysis of the thermodynamic ground states of various 2DEG systems directly probed in high temperature...

  16. Magnetic properties of singlet ground state systems

    International Nuclear Information System (INIS)

    Diederix, K.M.

    1979-01-01

    Experiments are described determining the properties of a magnetic system consisting of a singlet ground state. Cu(NO 3 ) 2 .2 1/2H 2 O has been studied which is a system of S = 1/2 alternating antiferromagnetic Heisenberg chains. The static properties, spin lattice relaxation time and field-induced antiferromagnetically ordered state measurements are presented. Susceptibility and magnetic cooling measurements of other compounds are summarised. (Auth.)

  17. Rearrangements in ground and excited states

    CERN Document Server

    de Mayo, Paul

    1980-01-01

    Rearrangements in Ground and Excited States, Volume 3 presents essays on the chemical generation of excited states; the cis-trans isomerization of olefins; and the photochemical rearrangements in trienes. The book also includes essays on the zimmerman rearrangements; the photochemical rearrangements of enones; the photochemical rearrangements of conjugated cyclic dienones; and the rearrangements of the benzene ring. Essays on the photo rearrangements via biradicals of simple carbonyl compounds; the photochemical rearrangements involving three-membered rings or five-membered ring heterocycles;

  18. Trapping cold ground state argon atoms.

    Science.gov (United States)

    Edmunds, P D; Barker, P F

    2014-10-31

    We trap cold, ground state argon atoms in a deep optical dipole trap produced by a buildup cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of laser-cooled metastable argon atoms. Although the ground state atoms cannot be directly probed, we detect them by observing the collisional loss of cotrapped metastable argon atoms and determine an elastic cross section. Using a type of parametric loss spectroscopy we also determine the polarizability of the metastable 4s[3/2](2) state to be (7.3±1.1)×10(-39)  C m(2)/V. Finally, Penning and associative losses of metastable atoms in the absence of light assisted collisions, are determined to be (3.3±0.8)×10(-10)  cm(3) s(-1).

  19. Ground-State of Hydrogen Fluoride

    Science.gov (United States)

    Bowen, Samuel P.; Fessatidis, Vassilios; Celi, Christina; Mancini, Jay D.

    2001-03-01

    The study of the ground-state properties of molecular systems has long been the focus of both quantum chemists as well as physicists. In general, most of the calculational methods are dependent on the use of high-power computers to generate large basis states. Such schemes as the full-configuration-interaction method, coupled-pair functionals and its modification, Moller-Plesset perturbation theory as well as both the restricted and unrestricted Hartree-Fock schemes have been used not only for ground-state calculations but also to calculate electron correlation energies. In general such schemes are limited to those bases which are constructed from single Slatter determinant. Here we wish to study the ground-state of hydrogen fluoride(HF) using the recently developed canonical sequence scheme which is a calculational cousin of the Connected Moments Expansion of Cioslowski. Comparisons are then made with other methods [for example P.J. Knowles Chem. Phys. Lett. 134, 512 (1987)].

  20. Thermal Ground State and Nonthermal Probes

    Directory of Open Access Journals (Sweden)

    Thierry Grandou

    2015-01-01

    Full Text Available The Euclidean formulation of SU(2 Yang-Mills thermodynamics admits periodic, (antiself-dual solutions to the fundamental, classical equation of motion which possess one unit of topological charge: (anticalorons. A spatial coarse graining over the central region in a pair of such localised field configurations with trivial holonomy generates an inert adjoint scalar field ϕ, effectively describing the pure quantum part of the thermal ground state in the induced quantum field theory. Here we show for the limit of zero holonomy how (anticalorons associate a temperature independent electric permittivity and magnetic permeability to the thermal ground state of SU2CMB, the Yang-Mills theory conjectured to underlie the fundamental description of thermal photon gases.

  1. Rearrangements in ground and excited states

    CERN Document Server

    de Mayo, Paul

    1980-01-01

    Rearrangements in Ground and Excited States, Volume 2 covers essays on the theoretical approach of rearrangements; the rearrangements involving boron; and the molecular rearrangements of organosilicon compounds. The book also includes essays on the polytopal rearrangement at phosphorus; the rearrangement in coordination complexes; and the reversible thermal intramolecular rearrangements of metal carbonyls. Chemists and people involved in the study of rearrangements will find the book invaluable.

  2. 66Ga ground state β spectrum

    DEFF Research Database (Denmark)

    Severin, Gregory; Knutson, L. D.; Voytas, P. A.

    2014-01-01

    The ground state branch of the β decay of 66Ga is an allowed Fermi (0+ → 0+) transition with a relatively high f t value. The large f t and the isospin-forbidden nature of the transition indicates that the shape of the β spectrum of this branch may be sensitive to higher order contributions...... to the decay. Two previous measurements of the shape have revealed deviations from an allowed spectrum but disagree about whether the shape factor has a positive or negative slope. As a test of a new iron-free superconducting β spectrometer, we have measured the shape of the ground state branch of the 66Ga β...... spectrum above a positron energy of 1.9 MeV. The spectrum is consistent with an allowed shape, with the slope of the shape factor being zero to within ±3 × 10−3 per MeV. We have also determined the endpoint energy for the ground state branch to be 4.1535 ± 0.0003 (stat.) ±0.0007 (syst.) MeV, in good...

  3. Ground-state structures of Hafnium clusters

    Energy Technology Data Exchange (ETDEWEB)

    Ng, Wei Chun; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technoloty, Multimedia University, Melaca Campus, 75450 Melaka (Malaysia)

    2015-04-24

    Hafnium (Hf) is a very large tetra-valence d-block element which is able to form relatively long covalent bond. Researchers are interested to search for substitution to silicon in the semi-conductor industry. We attempt to obtain the ground-state structures of small Hf clusters at both empirical and density-functional theory (DFT) levels. For calculations at the empirical level, charge-optimized many-body functional potential (COMB) is used. The lowest-energy structures are obtained via a novel global-minimum search algorithm known as parallel tempering Monte-Carlo Basin-Hopping and Genetic Algorithm (PTMBHGA). The virtue of using COMB potential for Hf cluster calculation lies in the fact that by including the charge optimization at the valence shells, we can encourage the formation of proper bond hybridization, and thus getting the correct bond order. The obtained structures are further optimized using DFT to ensure a close proximity to the ground-state.

  4. Estimating the ground-state probability of a quantum simulation with product-state measurements

    Directory of Open Access Journals (Sweden)

    Bryce eYoshimura

    2015-10-01

    Full Text Available .One of the goals in quantum simulation is to adiabatically generate the ground state of a complicated Hamiltonian by starting with the ground state of a simple Hamiltonian and slowly evolving the system to the complicated one. If the evolution is adiabatic and the initial and final ground states are connected due to having the same symmetry, then the simulation will be successful. But in most experiments, adiabatic simulation is not possible because it would take too long, and the system has some level of diabatic excitation. In this work, we quantify the extent of the diabatic excitation even if we do not know {it a priori} what the complicated ground state is. Since many quantum simulator platforms, like trapped ions, can measure the probabilities to be in a product state, we describe techniques that can employ these simple measurements to estimate the probability of being in the ground state of the system after the diabatic evolution. These techniques do not require one to know any properties about the Hamiltonian itself, nor to calculate its eigenstate properties. All the information is derived by analyzing the product-state measurements as functions of time.

  5. Magnetic ground state of FeSe

    Science.gov (United States)

    Wang, Qisi; Shen, Yao; Pan, Bingying; Zhang, Xiaowen; Ikeuchi, K.; Iida, K.; Christianson, A. D.; Walker, H. C.; Adroja, D. T.; Abdel-Hafiez, M.; Chen, Xiaojia; Chareev, D. A.; Vasiliev, A. N.; Zhao, Jun

    2016-01-01

    Elucidating the nature of the magnetism of a high-temperature superconductor is crucial for establishing its pairing mechanism. The parent compounds of the cuprate and iron-pnictide superconductors exhibit Néel and stripe magnetic order, respectively. However, FeSe, the structurally simplest iron-based superconductor, shows nematic order (Ts=90 K), but not magnetic order in the parent phase, and its magnetic ground state is intensely debated. Here we report inelastic neutron-scattering experiments that reveal both stripe and Néel spin fluctuations over a wide energy range at 110 K. On entering the nematic phase, a substantial amount of spectral weight is transferred from the Néel to the stripe spin fluctuations. Moreover, the total fluctuating magnetic moment of FeSe is ∼60% larger than that in the iron pnictide BaFe2As2. Our results suggest that FeSe is a novel S=1 nematic quantum-disordered paramagnet interpolating between the Néel and stripe magnetic instabilities. PMID:27431986

  6. Perfect state transfer without state initialization and remote collaboration

    International Nuclear Information System (INIS)

    Markiewicz, Marcin; Wiesniak, Marcin

    2009-01-01

    We present a perfect state transfer protocol via a qubit chain with the evolution governed by the xx Hamiltonian. In contrast to the recent protocol announced in Phys. Rev. Lett. 101, 230502 (2008), our method does not demand any remote-cooperated initialization and sending classical information about measurement outcomes. We achieve the perfect state transfer only with the assumption of access to two spins at each end of the chain, while the initial state of the whole chain is irrelevant.

  7. Solving satisfiability problems by the ground-state quantum computer

    International Nuclear Information System (INIS)

    Mao Wenjin

    2005-01-01

    A quantum algorithm is proposed to solve the satisfiability (SAT) problems by the ground-state quantum computer. The scale of the energy gap of the ground-state quantum computer is analyzed for the 3-bit exact cover problem. The time cost of this algorithm on the general SAT problems is discussed

  8. Ground-state energy for 1D (t,U,X)-model at low densities

    International Nuclear Information System (INIS)

    Buzatu, F.D.

    1992-09-01

    In describing the properties of quasi-1D materials with a highly-screened interelectronic potential, an attractive hopping term has to be added to the Hubbard Hamiltonian. The effective interaction and the ground-state energy in ladder approximation are analyzed. At low electronic densities, the attractive part of the interaction, initially smaller than the repulsive term, can become more effective, the ground-state energy decreasing below the unperturbed value. (author). 12 refs, 4 figs

  9. Classical many-particle systems with unique disordered ground states

    Science.gov (United States)

    Zhang, G.; Stillinger, F. H.; Torquato, S.

    2017-10-01

    Classical ground states (global energy-minimizing configurations) of many-particle systems are typically unique crystalline structures, implying zero enumeration entropy of distinct patterns (aside from trivial symmetry operations). By contrast, the few previously known disordered classical ground states of many-particle systems are all high-entropy (highly degenerate) states. Here we show computationally that our recently proposed "perfect-glass" many-particle model [Sci. Rep. 6, 36963 (2016), 10.1038/srep36963] possesses disordered classical ground states with a zero entropy: a highly counterintuitive situation . For all of the system sizes, parameters, and space dimensions that we have numerically investigated, the disordered ground states are unique such that they can always be superposed onto each other or their mirror image. At low energies, the density of states obtained from simulations matches those calculated from the harmonic approximation near a single ground state, further confirming ground-state uniqueness. Our discovery provides singular examples in which entropy and disorder are at odds with one another. The zero-entropy ground states provide a unique perspective on the celebrated Kauzmann-entropy crisis in which the extrapolated entropy of a supercooled liquid drops below that of the crystal. We expect that our disordered unique patterns to be of value in fields beyond glass physics, including applications in cryptography as pseudorandom functions with tunable computational complexity.

  10. Initial building investigations at Aberdeen Proving Ground, Maryland: Objectives and methodology

    Energy Technology Data Exchange (ETDEWEB)

    Brubaker, K.L.; Dougherty, J.M.; McGinnis, L.D.

    1994-12-01

    As part of an environmental-contamination source-definition program at Aberdeen Proving Ground, detailed internal and external inspections of 23 potentially contaminated buildings are being conducted to describe and characterize the state of each building as it currently exists and to identify areas potentially contaminated with toxic or other hazardous substances. In addition, a detailed geophysical investigation is being conducted in the vicinity of each target building to locate and identify subsurface structures, associated with former building operations, that are potential sources of contamination. This report describes the objectives of the initial building inspections, including the geophysical investigations, and discusses the methodology that has been developed to achieve these objectives.

  11. 14 CFR 91.1101 - Pilots: Initial, transition, and upgrade ground training.

    Science.gov (United States)

    2010-01-01

    ...-altitude windshear (except that rotorcraft pilots are not required to be trained in escaping from low... ground training. 91.1101 Section 91.1101 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION... upgrade ground training. Initial, transition, and upgrade ground training for pilots must include...

  12. Ground state configurations in two-mode quantum Rabi models

    Science.gov (United States)

    Chilingaryan, Suren; Rodríguez-Lara, B. M.

    We study two models describing a single two-level system coupled to two boson field modes in either a parallel or orthogonal configuration. Both models may be feasible for experimental realization through Raman adiabatic driving in cavity QED. We study their ground state configurations; that is, we find the quantum precursors of the corresponding semi-classical phase transitions. We found that the ground state configurations of both models present the same critical coupling as the quantum Rabi model. Around this critical coupling, the ground state goes from the so-called normal configuration with no excitation, the qubit in the ground state and the fields in the quantum vacuum state, to a ground state with excitations, the qubit in a superposition of ground and excited state, while the fields are not in the vacuum anymore, for the first model. The second model shows a more complex ground state configuration landscape where we find the normal configuration mentioned above, two single-mode configurations, where just one of the fields and the qubit are excited, and a dual-mode configuration, where both fields and the qubit are excited. S A Chilingaryan acknowledges financial support from CONACYT.

  13. Final Report: Multi-State Sharing Initiative

    Energy Technology Data Exchange (ETDEWEB)

    Begoli, Edmon [ORNL; Boehmann, Brant [ORNL; DeNap, Frank A [ORNL

    2012-04-01

    In 2003 a joint effort between the U.S. Department of Homeland Security (DHS) and the U.S. Department of Justice created state and metropolitan intelligence fusion centers. These fusion centers were an effort to share law enforcement, disaster, and terrorism related information and intelligence between state and local jurisdictions and to share terrorism related intelligence between state and local law enforcement agencies and various federal entities. In 2006, DHS commissioned the Oak Ridge National Laboratory to establish and manage a groundbreaking program to assist local, state, and tribal leaders in developing the tools and methods required to anticipate and forestall terrorist events and to enhance disaster response. This program, called the Southeast Region Research Initiative (SERRI), combines science and technology with validated operational approaches to address regionally unique requirements and suggest regional solutions with the potential for national application. In 2009, SERRI sponsored the Multistate Sharing Initiative (MSSI) to assist state and metropolitan intelligence fusion centers with sharing information related to a wider variety of state interests than just terrorism. While these fusion centers have been effective at sharing data across organizations within their respective jurisdictions, their organizational structure makes bilateral communication with federal entities convenient and also allows information to be further disbursed to other local entities when appropriate. The MSSI-developed Suspicious Activity Report (SAR) sharing system allows state-to-state sharing of non-terrorism-related law enforcement and disaster information. Currently, the MSSI SAR system is deployed in Alabama, Kentucky, Tennessee, and South Carolina. About 1 year after implementation, cognizant fusion center personnel from each state were contacted to ascertain the status of their MSSI SAR systems. The overwhelming response from these individuals was that the MSSI

  14. Simple variational ground state and pure-cat-state generation in the quantum Rabi model

    Science.gov (United States)

    Leroux, C.; Govia, L. C. G.; Clerk, A. A.

    2017-10-01

    We introduce a simple, physically motivated variational ground state for the quantum Rabi model and demonstrate that it provides a high-fidelity approximation of the true ground state in all parameter regimes (including intermediate- and strong-coupling regimes). Our variational state is constructed using Gaussian cavity states and nonorthogonal qubit pointer states and contains only three variational parameters. We use our state to develop a heuristic understanding of how the ground state evolves with increasing coupling and find a parameter regime where the ground state corresponds to the cavity being in a nearly pure Schrödinger cat state.

  15. On calculations of the ground state energy in quantum mechanics

    International Nuclear Information System (INIS)

    Efimov, G.V.

    1991-02-01

    In nonrelativistic quantum mechanics the Wick-ordering method called the oscillator representation suggested to calculate the ground-state energy for a wide class of potentials allowing the existence of a bound state. The following examples are considered: the orbital excitations of the ground-state in the Coulomb plus linear potential, the Schroedinger equation with a ''relativistic'' kinetic energy √p 2 +m 2 , the Coulomb three-body problem. (author). 22 refs, 2 tabs

  16. Kennesaw State University Classroom Technology Initiative.

    Science.gov (United States)

    McHaney, Jane; Wallace, Deborah; Taylor, Beverley

    The purpose of the Kennesaw State University (KSU) Coca Cola/Board of Regents Classroom Technology Initiative was to develop preservice and inservice teachers' expertise in educational technology such as computers, presentation software, and multimedia and to teach educators to apply those skills to content instruction. Project goals were to…

  17. Entanglement of two ground state neutral atoms using Rydberg blockade

    DEFF Research Database (Denmark)

    Miroshnychenko, Yevhen; Browaeys, Antoine; Evellin, Charles

    2011-01-01

    We report on our recent progress in trapping and manipulation of internal states of single neutral rubidium atoms in optical tweezers. We demonstrate the creation of an entangled state between two ground state atoms trapped in separate tweezers using the effect of Rydberg blockade. The quality...... of the entanglement is measured using global rotations of the internal states of both atoms....

  18. Classical ground states of symmetric Heisenberg spin systems

    International Nuclear Information System (INIS)

    Schmidt, Heinz-Juergen; Luban, Marshall

    2003-01-01

    We investigate the ground states of classical Heisenberg spin systems which have point group symmetry. Examples are the regular polygons (spin rings) and the seven quasi-regular polyhedra including the five Platonic solids. For these examples, ground states with special properties, e.g. coplanarity or symmetry, can be completely enumerated using group-theoretical methods. For systems having coplanar (anti-) ground states with vanishing total spin we also calculate the smallest and largest energies of all states having a given total spin S. We find that these extremal energies depend quadratically on S and prove that, under certain assumptions, this happens only for systems with coplanar S = 0 ground states. For general systems the corresponding parabolas represent lower and upper bounds for the energy values. This provides strong support and clarifies the conditions for the so-called rotational band structure hypothesis which has been numerically established for many quantum spin systems

  19. Classical ground states of symmetric Heisenberg spin systems

    CERN Document Server

    Schmidt, H J

    2003-01-01

    We investigate the ground states of classical Heisenberg spin systems which have point group symmetry. Examples are the regular polygons (spin rings) and the seven quasi-regular polyhedra including the five Platonic solids. For these examples, ground states with special properties, e.g. coplanarity or symmetry, can be completely enumerated using group-theoretical methods. For systems having coplanar (anti-) ground states with vanishing total spin we also calculate the smallest and largest energies of all states having a given total spin S. We find that these extremal energies depend quadratically on S and prove that, under certain assumptions, this happens only for systems with coplanar S = 0 ground states. For general systems the corresponding parabolas represent lower and upper bounds for the energy values. This provides strong support and clarifies the conditions for the so-called rotational band structure hypothesis which has been numerically established for many quantum spin systems.

  20. Bifurcation in Ground-state Fidelity and Quantum Criticality in Two-leg Potts Ladder

    Directory of Open Access Journals (Sweden)

    Sheng-Hao LI

    2014-02-01

    Full Text Available We have investigated an intriguing connection between bifurcations, reduced fidelity per lattice site, local order parameter, universal order parameter, entropy and quantum phase transitions in the ground state for quantum three-state Potts model with two coupled infinite-size ladder system, in the context of the tensor network algorithm. The tensor network algorithm produces degenerate symmetry-breaking ground-state wave functions arising from the Z3 symmetry breaking, each of results from a randomly chosen initial state. We expect that our approach might provide further insights into critical phenomena in quantum many-body infinite lattice systems in condensed matter physics.

  1. Approximating the ground state of gapped quantum spin systems

    Energy Technology Data Exchange (ETDEWEB)

    Michalakis, Spyridon [Los Alamos National Laboratory; Hamza, Eman [NON LANL; Nachtergaele, Bruno [NON LANL; Sims, Robert [NON LANL

    2009-01-01

    We consider quantum spin systems defined on finite sets V equipped with a metric. In typical examples, V is a large, but finite subset of Z{sup d}. For finite range Hamiltonians with uniformly bounded interaction terms and a unique, gapped ground state, we demonstrate a locality property of the corresponding ground state projector. In such systems, this ground state projector can be approximated by the product of observables with quantifiable supports. In fact, given any subset {chi} {contained_in} V the ground state projector can be approximated by the product of two projections, one supported on {chi} and one supported on {chi}{sup c}, and a bounded observable supported on a boundary region in such a way that as the boundary region increases, the approximation becomes better. Such an approximation was useful in proving an area law in one dimension, and this result corresponds to a multi-dimensional analogue.

  2. Ground state correlations associated with number symmetry breaking

    International Nuclear Information System (INIS)

    Oudih, M.R.; Benhamouda, N.; Fellah, M.; Allal, N.H.; Laboratoire de Physique Theorique, Algiers

    2004-01-01

    The ability of an exact particle-number projection to incorporate correlations in the ground state is investigated. The method is compared to the Lipkin-Nogami prescription and to the exact Richardson solution. (author)

  3. Tracking the embryonic stem cell transition from ground state pluripotency.

    Science.gov (United States)

    Kalkan, Tüzer; Olova, Nelly; Roode, Mila; Mulas, Carla; Lee, Heather J; Nett, Isabelle; Marks, Hendrik; Walker, Rachael; Stunnenberg, Hendrik G; Lilley, Kathryn S; Nichols, Jennifer; Reik, Wolf; Bertone, Paul; Smith, Austin

    2017-04-01

    Mouse embryonic stem (ES) cells are locked into self-renewal by shielding from inductive cues. Release from this ground state in minimal conditions offers a system for delineating developmental progression from naïve pluripotency. Here, we examine the initial transition process. The ES cell population behaves asynchronously. We therefore exploited a short-half-life Rex1::GFP reporter to isolate cells either side of exit from naïve status. Extinction of ES cell identity in single cells is acute. It occurs only after near-complete elimination of naïve pluripotency factors, but precedes appearance of lineage specification markers. Cells newly departed from the ES cell state display features of early post-implantation epiblast and are distinct from primed epiblast. They also exhibit a genome-wide increase in DNA methylation, intermediate between early and late epiblast. These findings are consistent with the proposition that naïve cells transition to a distinct formative phase of pluripotency preparatory to lineage priming. © 2017. Published by The Company of Biologists Ltd.

  4. Stance limb ground reaction forces in high functioning stroke and healthy subjects during gait initiation.

    Science.gov (United States)

    Sharma, Sheena; McMorland, Angus J C; Stinear, James W

    2015-08-01

    Following stroke, little is known about ground reaction forces during gait initiation. To compare stroke patients' with healthy subjects' anterior, medial, and lateral ground reaction forces generated during gait initiation. Patients with left paresis, right paresis, and age-similar healthy subjects were recruited. During gait initiation the average peak anterior, medial, and lateral ground reaction forces acting on each lower limb were calculated when it was the stance limb. Anterior ground reaction forces acting on the right and left stance limbs of healthy subjects were greater than anterior forces acting on the nonparetic and paretic limbs of stroke patients. Medial ground reaction forces for the nonparetic and paretic limbs of stroke patients and for the right and left stance limbs of healthy subjects were equivalent. While lateral ground reaction forces acting on the nonparetic and paretic limbs were equivalent for left paretic patients, for right paretic patients lateral forces acting on the nonparetic limb were greater compared to the paretic limb and also greater compared to the left limb of healthy subjects. An effect of side-of-lesion was revealed in average peak lateral ground reaction force data. Larger lateral ground reaction forces acting on the left nonparetic stance limb of right paretic patients compared to the right nonparetic stance limb of left paretic patients during gait initiation may be an indication of differing adaptations that depend on the side-of-lesion. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. 14 CFR 135.345 - Pilots: Initial, transition, and upgrade ground training.

    Science.gov (United States)

    2010-01-01

    ... pilots are not required to be trained in escaping from low-altitude windshear); (iii) Operating in or... ground training. 135.345 Section 135.345 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION... ON BOARD SUCH AIRCRAFT Training § 135.345 Pilots: Initial, transition, and upgrade ground training...

  6. National Enforcement Initiative: Preventing Animal Waste from Contaminating Surface and Ground Water

    Science.gov (United States)

    This page describes EPA's goal in preventing animal waste from contaminating surface and ground Water. It is an EPA National Enforcement Initiative. Both enforcement cases, and a map of enforcement actions are provided.

  7. Borromean ground state of fermions in two dimensions

    DEFF Research Database (Denmark)

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

    2014-01-01

    -polarized (spinless) identical fermions in two spatial dimensions. The ground state with zero orbital (planar) angular momentum exists in a borromean window between critical two- and three-body strengths. The doubly degenerate first excited states of angular momentum one appears only very close to the two...

  8. Quasiparticle statistics and braiding from ground state entanglement

    NARCIS (Netherlands)

    Zhang, Y.; Grover, T.; Turner, A.; Oshikawa, M.; Vishwanath, A.

    2012-01-01

    Topologically ordered phases are gapped states, defined by the properties of excitations when taken around one another. Here we demonstrate a method to extract the statistics and braiding of excitations, given just the set of ground-state wave functions on a torus. This is achieved by studying the

  9. An analytic initial-state parton shower

    International Nuclear Information System (INIS)

    Kilian, W.

    2011-12-01

    We present a new algorithm for an analytic parton shower. While the algorithm for the final-state shower has been known in the literature, the construction of an initial-state shower along these lines is new. The aim is to have a parton shower algorithm for which the full analytic form of the probability distribution for all branchings is known. For these parton shower algorithms it is therefore possible to calculate the probability for a given event to be generated, providing the potential to reweight the event after the simulation. We develop the algorithm for this shower including scale choices and angular ordering. Merging to matrix elements is used to describe high-energy tails of distributions correctly. Finally, we compare our results with those of other parton showers and with experimental data from LEP, Tevatron and LHC. (orig.)

  10. Sunlight-Initiated Photochemistry: Excited Vibrational States of Atmospheric Chromophores

    Directory of Open Access Journals (Sweden)

    Veronica Vaida

    2008-01-01

    Full Text Available Atmospheric chemical reactions are often initiated by ultraviolet (UV solar radiation since absorption in that wavelength range coincides to typical chemical bond energies. In this review, we present an alternative process by which chemical reactions occur with the excitation of vibrational levels in the ground electronic state by red solar photons. We focus on the O–H vibrational manifold which can be an atmospheric chromophore for driving vibrationally mediated overtone-induced chemical reactions. Experimental and theoretical O–H intensities of several carboxylic acids, alcohols, and peroxides are presented. The importance of combination bands in spectra at chemically relevant energies is examined in the context of atmospheric photochemistry. Candidate systems for overtone-initiated chemistry are provided, and their lowest energy barrier for reaction and the minimum quanta of O–H stretch required for reaction are calculated. We conclude with a discussion of the major pathways available for overtone-induced reactions in the atmosphere.

  11. Ground states and excitations of inductively coupled fluxonium qubits

    Science.gov (United States)

    Brierley, R. T.; Meier, H.; Kou, A.; Glazman, L. I.; Girvin, S. M.

    2015-03-01

    We consider fluxonium qubits arranged in a one dimensional array, where the inductors are shared between neighboring qubits. For an infinite system with small charging energies, there are a series of different phases that depend on the applied magnetic flux and the ratio of the inductive and Josephson energies. For small flux and large Josephson energy, the behavior of the classical ground state is similar to the Frenkel-Kontorova model, while when the flux is half a flux quantum it is similar to an Ising antiferromagnet. A realistic finite system will not exhibit a phase transition but some features of the infinite-size limit should persist. We investigate theoretically the ground and low-lying excited states for experimentally relevant parameters. We discuss how the nature of the ground state changes, and what experimental signatures would be expected.

  12. Ground states of unfrustrated spin Hamiltonians satisfy an area law

    Science.gov (United States)

    de Beaudrap, Niel; Osborne, Tobias J.; Eisert, Jens

    2010-09-01

    We show that ground states of unfrustrated quantum spin-1/2 systems on general lattices satisfy an entanglement area law, provided that the Hamiltonian can be decomposed into nearest-neighbor interaction terms that have entangled excited states. The ground state manifold can be efficiently described as the image of a low-dimensional subspace of low Schmidt measure, under an efficiently contractible tree-tensor network. This structure gives rise to the possibility of efficiently simulating the complete ground space (which is in general degenerate). We briefly discuss 'non-generic' cases, including highly degenerate interactions with product eigenbases, using a relationship to percolation theory. We finally assess the possibility of using such tree tensor networks to simulate almost frustration-free spin models.

  13. Estimation of beryllium ground state energy by Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Kabir, K. M. Ariful [Department of Physical Sciences, School of Engineering and Computer Science, Independent University, Bangladesh (IUB) Dhaka (Bangladesh); Halder, Amal [Department of Mathematics, University of Dhaka Dhaka (Bangladesh)

    2015-05-15

    Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.

  14. Dissociation energy of the ground state of NaH

    International Nuclear Information System (INIS)

    Huang, Hsien-Yu; Lu, Tsai-Lien; Whang, Thou-Jen; Chang, Yung-Yung; Tsai, Chin-Chun

    2010-01-01

    The dissociation energy of the ground state of NaH was determined by analyzing the observed near dissociation rovibrational levels. These levels were reached by stimulated emission pumping and fluorescence depletion spectroscopy. A total of 114 rovibrational levels in the ranges 9≤v '' ≤21 and 1≤J '' ≤14 were assigned to the X 1 Σ + state of NaH. The highest vibrational level observed was only about 40 cm -1 from the dissociation limit in the ground state. One quasibound state, above the dissociation limit and confined by the centrifugal barrier, was observed. Determining the vibrational quantum number at dissociation v D from the highest four vibrational levels yielded the dissociation energy D e =15 815±5 cm -1 . Based on new observations and available data, a set of Dunham coefficients and the rotationless Rydberg-Klein-Rees curve were constructed. The effective potential curve and the quasibound states were discussed.

  15. Initial state radiation experiment at MAMI

    Directory of Open Access Journals (Sweden)

    Mihovilovič M.

    2014-05-01

    Full Text Available In an attempt to contribute further insight into the discrepancy between the Lamb shift and elastic scattering determinations of the proton charge radius, a new experiment at MAMI is underway, aimed at measuring proton form-factors at very low momentum transfers by using a new technique based on initial state radiation. This paper reports on the conclusions of the pilot measurement performed in 2010, whose main goal was to check the feasibility of the proposed experiment and to recognize and overcome any obstacles before running the full experiment. The modifications to the experimental apparatus are then explained which significantly improved the quality of data collected in the full scale experiment, which was successfully executed in August 2013. At the end first findings of the new experiment are discussed.

  16. Uncovering the hidden ground state of green fluorescent protein

    Science.gov (United States)

    Kennis, John T. M.; Larsen, Delmar S.; van Stokkum, Ivo H. M.; Vengris, Mikas; van Thor, Jasper J.; van Grondelle, Rienk

    2004-01-01

    The fluorescence properties of GFP are strongly influenced by the protonation states of its chromophore and nearby amino acid side chains. In the ground state, the GFP chromophore is neutral and absorbs in the near UV. Upon excitation, the chromophore is deprotonated, and the resulting anionic chromophore emits its green fluorescence. So far, only excited-state intermediates have been observed in the GFP photocycle. We have used ultrafast multipulse control spectroscopy to prepare and directly observe GFP's hidden anionic ground-state intermediates as an integral part of the photocycle. Combined with dispersed multichannel detection and advanced global analysis techniques, the existence of two distinct anionic ground-state intermediates, I1 and I2, has been unveiled. I1 and I2 absorb at 500 and 497 nm, respectively, and interconvert on a picosecond timescale. The I2 intermediate has a lifetime of 400 ps, corresponding to a proton back-transfer process that regenerates the neutral ground state. Hydrogen/deuterium exchange of the protein leads to a significant increase of the I1 and I2 lifetimes, indicating that proton motion underlies their dynamics. We thus have assessed the complete chain of reaction intermediates and associated timescales that constitute the photocycle of GFP. Many elementary processes in biology rely on proton transfers that are limited by slow diffusional events, which seriously precludes their characterization. We have resolved the true reaction rate of a proton transfer in the molecular ground state of GFP, and our results may thus aid in the development of a generic understanding of proton transfer in biology. PMID:15608070

  17. Ground state of the parallel double quantum dot system.

    Science.gov (United States)

    Zitko, Rok; Mravlje, Jernej; Haule, Kristjan

    2012-02-10

    We resolve the controversy regarding the ground state of the parallel double quantum dot system near half filling. The numerical renormalization group predicts an underscreened Kondo state with residual spin-1/2 magnetic moment, ln2 residual impurity entropy, and unitary conductance, while the Bethe ansatz solution predicts a fully screened impurity, regular Fermi-liquid ground state, and zero conductance. We calculate the impurity entropy of the system as a function of the temperature using the hybridization-expansion continuous-time quantum Monte Carlo technique, which is a numerically exact stochastic method, and find excellent agreement with the numerical renormalization group results. We show that the origin of the unconventional behavior in this model is the odd-symmetry "dark state" on the dots.

  18. A Ground State Tri-pí-Methane Rearrangement

    Czech Academy of Sciences Publication Activity Database

    Zimmerman, H. E.; Církva, Vladimír; Jiang, L.

    2000-01-01

    Roč. 41, č. 49 (2000), s. 9585-9587 ISSN 0040-4039 Institutional research plan: CEZ:AV0Z4072921 Keywords : tri-pi- methane * ground state Subject RIV: CC - Organic Chemistry Impact factor: 2.558, year: 2000

  19. Calculations of the ground state of 16O

    International Nuclear Information System (INIS)

    Pieper, S.C.

    1989-01-01

    One of the central problems in nuclear physics is the description of nuclei as systems of nucleons interacting via realistic potentials. There are two main aspects of this problem: specification of the Hamiltonian, and calculation of the ground states of nuclei with the given interaction. Realistic interactions must contain both two- and three-nucleon potentials and these potentials have a complicated non-central operator structure consisting, for example, of spin, isospin and tensor dependences. This structure results in formidable many-body problems in the computation of the ground states of nuclei. At present, reliable solutions of the Faddeev equations for the A = 3 nuclei with such interactions are routine. Recently, Carlson has made an essentially exact GFMC calculation of the He ground state using just a two-nucleon interaction, and there are reliable variational calculations for more complete potential models. Nuclear matter calculations can also be made with reasonable reliability. However, there have been very few calculations of nuclei with A > 5 using realistic interactions, and none with a modern three-nucleon interaction. In the present paper I present a new technique for variational calculations for such nuclei and apply it to the ground state of 16 O. 15 refs., 2 figs., 3 tabs

  20. Hartree–Fock variational bounds for ground state energy of ...

    Indian Academy of Sciences (India)

    We use different determinantal Hartree–Fock (HF) wave functions to calculate true variational upper bounds for the ground state energy of spin-half fermions in volume 0, with mass , electric charge zero, and magnetic moment , interacting through magnetic dipole–dipole interaction. We find that at high densities ...

  1. Numerical calculation of the ground state of Helium atom using ...

    African Journals Online (AJOL)

    Hylleraas did the calculation of the ground state in 1926 using the variational parameter a. In this paper we trace Hylleraas historic calculation, the use of computer enables us to improve the approximation found by Hylleraas . The program was written in FORTRAN language, designed in such away that for a particular value ...

  2. Search for C+ C clustering in Mg ground state

    Indian Academy of Sciences (India)

    2017-01-04

    Jan 4, 2017 ... Abstract. In the backdrop of many models, the heavy cluster structure of the ground state of 24Mg has been probed experimentally for the first time using the heavy cluster knockout reaction 24Mg(12C,212C)12C in the quasifree scattering kinematic domain. In the (12C,212C) reaction, the direct ...

  3. Ground-state electronic structure of actinide monocarbides and mononitrides

    DEFF Research Database (Denmark)

    Petit, Leon; Svane, Axel; Szotek, Z.

    2009-01-01

    The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of the actinide ions in the actinide monocarbides, AC (A=U,Np,Pu,Am,Cm), and the actinide mononitrides, AN. The electronic structure is characterized by a gradually...

  4. Search for C+ C clustering in Mg ground state

    Indian Academy of Sciences (India)

    2017-01-04

    12C+12C) structure models for the ground state of 24Mg. Keywords. Direct nuclear reactions; heavy cluster knockout; structure of 24Mg(g.s); C–C optical potential. PACS Nos 24.50.+g; 24.10.Eq; 24.10.Ht; 25.40.−h; 25.40.Cl; 25.60.−t.

  5. Ground State Energy of Current Carriers in Graphene

    OpenAIRE

    Ratnikov, P. V.; Silin, A. P.

    2008-01-01

    The ground state energy of current carriers in graphene considered as a zero-gap semiconductor was calculated in the two-band approximation. The condition of the electronic (hole) system stability in graphene was obtained. The possibility of the zero-gap semiconductor-semimetal transition was discussed.

  6. Ground state structures and properties of small hydrogenated silicon ...

    Indian Academy of Sciences (India)

    We present results for ground state structures and properties of small hydrogenated silicon clusters using the Car–Parrinello molecular dynamics with simulated annealing. We discuss the nature of bonding of hydrogen in these clusters. We find that hydrogen can form a bridge like Si–H–Si bond connecting two silicon ...

  7. Advantages of Unfair Quantum Ground-State Sampling.

    Science.gov (United States)

    Zhang, Brian Hu; Wagenbreth, Gene; Martin-Mayor, Victor; Hen, Itay

    2017-04-21

    The debate around the potential superiority of quantum annealers over their classical counterparts has been ongoing since the inception of the field. Recent technological breakthroughs, which have led to the manufacture of experimental prototypes of quantum annealing optimizers with sizes approaching the practical regime, have reignited this discussion. However, the demonstration of quantum annealing speedups remains to this day an elusive albeit coveted goal. We examine the power of quantum annealers to provide a different type of quantum enhancement of practical relevance, namely, their ability to serve as useful samplers from the ground-state manifolds of combinatorial optimization problems. We study, both numerically by simulating stoquastic and non-stoquastic quantum annealing processes, and experimentally, using a prototypical quantum annealing processor, the ability of quantum annealers to sample the ground-states of spin glasses differently than thermal samplers. We demonstrate that (i) quantum annealers sample the ground-state manifolds of spin glasses very differently than thermal optimizers (ii) the nature of the quantum fluctuations driving the annealing process has a decisive effect on the final distribution, and (iii) the experimental quantum annealer samples ground-state manifolds significantly differently than thermal and ideal quantum annealers. We illustrate how quantum annealers may serve as powerful tools when complementing standard sampling algorithms.

  8. Ground state structures and properties of small hydrogenated silicon ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. We present results for ground state structures and properties of small hydrogenated silicon clus- ters using the Car–Parrinello molecular dynamics with simulated annealing. We discuss the nature of bonding of hydrogen in these clusters. We find that hydrogen can form a bridge like Si–H–Si bond connecting two ...

  9. Antiferrodistortive phase transitions and ground state of PZT ceramics

    International Nuclear Information System (INIS)

    Pandey, Dhananjai

    2013-01-01

    The ground state of the technologically important Pb(Zr x Ti (1-x) )O 3 , commonly known as PZT, ceramics is currently under intense debate. The phase diagram of this material shows a morphotropic phase boundary (MPB) for x∼0.52 at 300K, across which a composition induced structural phase transition occurs leading to maximization of the piezoelectric properties. In search for the true ground state of the PZT in the MPB region, Beatrix Noheda and coworkers first discovered a phase transition from tetragonal (space group P4mm) to an M A type monoclinic phase (space group Cm) at low temperatures for x=0.52. Soon afterwards, we discovered yet another low temperature phase transition for the same composition in which the M A type (Cm) monoclinic phase transforms to another monoclinic phase with Cc space group. We have shown that the Cm to Cc phase transition is an antiferrodistortive (AFD) transition involving tilting of oxygen octahedra leading to unit cell doubling and causing appearance of superlattice reflections which are observable in the electron and neutron diffraction patterns only and not in the XRD patterns, as a result of which Noheda and coworkers missed the Cc phase in their synchrotron XRD studies at low temperatures. Our findings were confirmed by leading groups using neutron, TEM, Raman and high pressure diffraction studies. The first principles calculations also confirmed that the true ground state of PZT in the MPB region has Cc space group. However, in the last couple of years, the Cc space group of the ground state has become controversial with an alternative proposal of R3c as the space group of the ground state phase which is proposed to coexist with the metastable Cm phase. In order to resolve this controversy, we recently revisited the issue using pure PZT and 6% Sr 2+ substituted PZT, the latter samples show larger tilt angle on account of the reduction in the average cationic radius at the Pb 2+ site. Using high wavelength neutrons and high

  10. The ground state torsion rotation spectrum of CH2DOH

    Science.gov (United States)

    Pearson, John C.; Yu, Shanshan; Drouin, Brian J.

    2012-10-01

    The ground state torsion rotation spectrum of CH2DOH has been completely characterized through J = 30 and Ka = 10, 9, 9 in the three torsional sub-states of the ground state; e0, e1, and o1, respectively. Additional a-type assignments are presented to Ka = 11 in each of the torsional sub-states. The data has been analyzed with an empirical power series model as well as an empirical internal axis model. Over 8000 transitions have been assigned and fit with near experimental accuracy over the range of 4-1628 GHz. The characterization of the spectrum allows for a complete set of ground state term values enabling a better understanding of the infrared spectrum. Comparison of the torsional contributions of the Hamiltonian with normal methanol provides great insight into the nature of the asymmetric-top asymmetric-frame internal rotation problem. The comparison with normal methanol also provides a relatively straightforward transformation from the well understood C3V internal rotation problem to the completely asymmetric internal rotation problem. The data and analysis provide some practical wisdom on the impacts of breaking the symmetry and the choice of models for addressing the nearly three fold completely asymmetric internal rotation problem.

  11. Guidelines for ground motion definition for the eastern United States

    International Nuclear Information System (INIS)

    Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.

    1985-06-01

    Guidelines for the determination of earthquake ground motion definition for the eastern United States are established here. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large- to great-sized earthquakes (M/sub s/ > 7.5) have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes has been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data have been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data, a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the safe shutdown earthquake (SSE). A new procedure for establishing the operating basis earthquake (OBE) is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors. 17 refs., figs., tabs

  12. Ground-state properties of a supersymmetric fermion chain

    International Nuclear Information System (INIS)

    Fendley, Paul; Hagendorf, Christian

    2011-01-01

    We analyze the ground state of a strongly interacting fermion chain with a supersymmetry. We conjecture a number of exact results, such as a hidden duality between weak and strong couplings. By exploiting a scale-free property of the perturbative expansions, we find exact expressions for the order parameters, yielding the critical exponents. We show that the ground state of this fermion chain and another model in the same universality class, the XYZ chain along a line of couplings, are both written in terms of the same polynomials. We demonstrate this explicitly for up to N = 24 sites and provide consistency checks for large N. These polynomials satisfy a recursion relation related to the Painlevé VI differential equation and, using a scale-free property of these polynomials, we derive a simple and exact formula for their N→∞ limit

  13. Nuclear quadrupole moment of the 99Tc ground state

    International Nuclear Information System (INIS)

    Errico, Leonardo; Darriba, German; Renteria, Mario; Tang Zhengning; Emmerich, Heike; Cottenier, Stefaan

    2008-01-01

    By combining first-principles calculations and existing nuclear magnetic resonance (NMR) experiments, we determine the quadrupole moment of the 9/2 + ground state of 99 Tc to be (-)0.14(3)b. This confirms the value of -0.129(20)b, which is currently believed to be the most reliable experimental determination, and disagrees with two earlier experimental values. We supply ab initio calculated electric-field gradients for Tc in YTc 2 and ZrTc 2 . If this calculated information would be combined with yet to be performed Tc-NMR experiments in these compounds, the error bar on the 99 Tc ground state quadrupole moment could be further reduced

  14. Cluster expansion for ground states of local Hamiltonians

    Directory of Open Access Journals (Sweden)

    Alvise Bastianello

    2016-08-01

    Full Text Available A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.

  15. Topological entanglement entropy, ground state degeneracy and holography

    Energy Technology Data Exchange (ETDEWEB)

    Parnachev, Andrei [School of Mathematics, Trinity College,Dublin 2 (Ireland); Institute Lorentz for Theoretical Physics, Leiden University,P.O. Box 9506, Leiden 2300RA (Netherlands); Poovuttikul, Napat [Institute Lorentz for Theoretical Physics, Leiden University,P.O. Box 9506, Leiden 2300RA (Netherlands)

    2015-10-14

    Topological entanglement entropy, a measure of the long-ranged entanglement, is related to the degeneracy of the ground state on a higher genus surface. The exact relation depends on the details of the topological theory. We consider a class of holographic models where such relation might be similar to the one exhibited by Chern-Simons theory in a certain large N limit. Both the non-vanishing topological entanglement entropy and the ground state degeneracy in these holographic models are consequences of the topological Gauss-Bonnet term in the dual gravitational description. A soft wall holographic model of confinement is used to generate finite correlation length but keep the disk topology of the entangling surface in the bulk, necessary for nonvanishing topological entanglement entropy.

  16. Ground state energy values and moments of the anharmonic oscillator

    International Nuclear Information System (INIS)

    Seetharaman, M.; Raghavan, Sekhar; Subba Rao, G.

    1981-01-01

    It is shown that a very satisfactory estimate of the energy values (for all values of the anharmonicity) and moments of the ground state of the quartic anharmonic oscillator can be obtained in the variational method, by considering trial wavefunctions which have the correct asymptotic properties. The results derived with a single variational parameter are a considerable improvement over the recent results of C.A. Ginsburg and E.W. Montroll (1978). (author)

  17. Ground state solutions for diffusion system with superlinear nonlinearity

    Directory of Open Access Journals (Sweden)

    Zhiming Luo

    2015-03-01

    where $z=(u,v\\colon\\mathbb{R}\\times\\mathbb{R}^{N}\\rightarrow\\mathbb{R}^{2}$, $b\\in C^{1}(\\mathbb{R}\\times\\mathbb{R}^{N}, \\mathbb{R}^{N}$ and $V(x\\in C(\\mathbb{R}^{N},\\mathbb{R}$. Under suitable assumptions on the nonlinearity, we establish the existence of ground state solutions by the generalized Nehari manifold method developed recently by Szulkin and Weth.

  18. Ground state solutions for non-local fractional Schrodinger equations

    Directory of Open Access Journals (Sweden)

    Yang Pu

    2015-08-01

    Full Text Available In this article, we study a time-independent fractional Schrodinger equation with non-local (regional diffusion $$ (-\\Delta^{\\alpha}_{\\rho}u + V(xu = f(x,u \\quad \\text{in }\\mathbb{R}^{N}, $$ where $\\alpha \\in (0,1$, $N > 2\\alpha$. We establish the existence of a non-negative ground state solution by variational methods.

  19. Electronic and ground state properties of ThTe

    Energy Technology Data Exchange (ETDEWEB)

    Bhardwaj, Purvee, E-mail: purveebhardwaj@gmail.com; Singh, Sadhna, E-mail: drsadhna100@gmail.com [High Pressure Research Lab. Department of Physics Barkatullah University, Bhopal (MP) 462026 (India)

    2016-05-06

    The electronic properties of ThTe in cesium chloride (CsCl, B2) structure are investigated in the present paper. To study the ground state properties of thorium chalcogenide, the first principle calculations have been calculated. The bulk properties, including lattice constant, bulk modulus and its pressure derivative are obtained. The calculated equilibrium structural parameters are in good agreement with the available experimental and theoretical results.

  20. Ground-state correlations within a nonperturbative approach

    Czech Academy of Sciences Publication Activity Database

    De Gregorio, G.; Herko, J.; Knapp, F.; Lo Iudice, N.; Veselý, Petr

    2017-01-01

    Roč. 95, č. 2 (2017), č. článku 024306. ISSN 2469-9985 R&D Projects: GA ČR GA13-07117S Institutional support: RVO:61389005 Keywords : ground state * harmonic oscillator frequency * space dimensions Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 3.820, year: 2016

  1. Initial site characterization and evaluation of radionuclide contaminated soil waste burial grounds

    International Nuclear Information System (INIS)

    Phillips, S.J.; Reisenauer, A.E.; Rickard, W.H.; Sandness, G.A.

    1977-02-01

    A survey of historical records and literature containing information on the contents of 300 Area and North Burial Grounds was completed. Existing records of radioactive waste location, type, and quantity within each burial ground facility were obtained and distributed to cooperating investigators. A study was then initiated to evaluate geophysical exploration techniques for mapping buried waste materials, waste containers, and trench boundaries. Results indicate that a combination of ground penetrating radar, magnetometer, metal detector, and acoustic measurements will be effective but will require further study, hardware development, and field testing. Drilling techniques for recovering radionuclide-contaminated materials and sediment cores were developed and tested. Laboratory sediment characterization and fluid transport and monitoring analyses were begun by installation of in situ transducers at the 300 North Burial Ground site. Biological transport mechanisms that control radionuclide movement at contaminated sites were also studied. Flora and fauna presently inhabiting specific burial ground areas were identified and analyzed. Future monitoring of specific mammal populations will permit determination of dose rate and pathways of contaminated materials contained in and adjacent to burial ground sites

  2. Quantum State Restoration and Single-Copy Tomography for Ground States of Hamiltonians

    Science.gov (United States)

    Farhi, Edward; Gosset, David; Hassidim, Avinatan; Lutomirski, Andrew; Nagaj, Daniel; Shor, Peter

    2010-11-01

    Given a single copy of an unknown quantum state, the no-cloning theorem limits the amount of information that can be extracted from it. Given a gapped Hamiltonian, in most situations it is impractical to compute properties of its ground state, even though in principle all the information about the ground state is encoded in the Hamiltonian. We show in this Letter that if you know the Hamiltonian of a system and have a single copy of its ground state, you can use a quantum computer to efficiently compute its local properties. Specifically, in this scenario, we give efficient algorithms that copy small subsystems of the state and estimate the full statistics of any local measurement.

  3. Ground state instabilities of protein shells are eliminated by buckling.

    Science.gov (United States)

    Singh, Amit R; Perotti, Luigi E; Bruinsma, Robijn F; Rudnick, Joseph; Klug, William S

    2017-11-15

    We propose a hybrid discrete-continuum model to study the ground state of protein shells. The model allows for shape transformation of the shell and buckling transitions as well as the competition between states with different symmetries that characterize discrete particle models with radial pair potentials. Our main results are as follows. For large Föppl-von Kármán (FvK) numbers the shells have stable isometric ground states. As the FvK number is reduced, shells undergo a buckling transition resembling that of thin-shell elasticity theory. When the width of the pair potential is reduced below a critical value, then buckling coincides with the onset of structural instability triggered by over-stretched pair potentials. Chiral shells are found to be more prone to structural instability than achiral shells. It is argued that the well-width appropriate for protein shells lies below the structural instability threshold. This means that the self-assembly of protein shells with a well-defined, stable structure is possible only if the bending energy of the shell is sufficiently low so that the FvK number of the assembled shell is above the buckling threshold.

  4. Triaxiality near the 110Ru ground state from Coulomb excitation

    Directory of Open Access Journals (Sweden)

    D.T. Doherty

    2017-03-01

    Full Text Available A multi-step Coulomb excitation measurement with the GRETINA and CHICO2 detector arrays was carried out with a 430-MeV beam of the neutron-rich 110Ru (t1/2=12 s isotope produced at the CARIBU facility. This represents the first successful measurement following the post-acceleration of an unstable isotope of a refractory element. The reduced transition probabilities obtained for levels near the ground state provide strong evidence for a triaxial shape; a conclusion confirmed by comparisons with the results of beyond-mean-field and triaxial rotor model calculations.

  5. First observation of ground state dineutron decay: 16Be.

    Science.gov (United States)

    Spyrou, A; Kohley, Z; Baumann, T; Bazin, D; Brown, B A; Christian, G; DeYoung, P A; Finck, J E; Frank, N; Lunderberg, E; Mosby, S; Peters, W A; Schiller, A; Smith, J K; Snyder, J; Strongman, M J; Thoennessen, M; Volya, A

    2012-03-09

    We report on the first observation of dineutron emission in the decay of 16Be. A single-proton knockout reaction from a 53  MeV/u 17B beam was used to populate the ground state of 16Be. 16Be is bound with respect to the emission of one neutron and unbound to two-neutron emission. The dineutron character of the decay is evidenced by a small emission angle between the two neutrons. The two-neutron separation energy of 16Be was measured to be 1.35(10) MeV, in good agreement with shell model calculations, using standard interactions for this mass region.

  6. Political initiative needed in the United States

    International Nuclear Information System (INIS)

    Hollister, K.

    1979-01-01

    The financing of nuclear power stations in the United States is in trouble mainly because of the long lead times caused by licensing. It will again become feasible when legislation reduces the construction time to eight years or less. The overriding need to protect the dollar by reducing oil imports, will lead the US Government to embrace nuclear power openly. (U.K.)

  7. Teaching Theory Construction With Initial Grounded Theory Tools: A Reflection on Lessons and Learning.

    Science.gov (United States)

    Charmaz, Kathy

    2015-12-01

    This article addresses criticisms of qualitative research for spawning studies that lack analytic development and theoretical import. It focuses on teaching initial grounded theory tools while interviewing, coding, and writing memos for the purpose of scaling up the analytic level of students' research and advancing theory construction. Adopting these tools can improve teaching qualitative methods at all levels although doctoral education is emphasized here. What teachers cover in qualitative methods courses matters. The pedagogy presented here requires a supportive environment and relies on demonstration, collective participation, measured tasks, progressive analytic complexity, and accountability. Lessons learned from using initial grounded theory tools are exemplified in a doctoral student's coding and memo-writing excerpts that demonstrate progressive analytic development. The conclusion calls for increasing the number and depth of qualitative methods courses and for creating a cadre of expert qualitative methodologists. © The Author(s) 2015.

  8. Absence of Energy Level Crossing for the Ground State Energy of the Rabi Model

    OpenAIRE

    Hirokawa, Masao; Hiroshima, Fumio

    2012-01-01

    The Hamiltonian of the Rabi model is considered. It is shown that the ground state energy of the Rabi Hamiltonian is simple for all values of the coupling strength, which implies the ground state energy does not cross other energy

  9. Evaluating U.S. States climate change initiatives

    International Nuclear Information System (INIS)

    Silva, P.

    2004-01-01

    This paper evaluates sub-federal efforts to mitigate climate change in the United States through a range of climate-relevant initiatives, identifying principal trends and detailing climate-relevant initiatives in several states. These strategies include renewable electricity mandates, State and regional greenhouse gas emissions inventories, mandatory greenhouse gas emissions reporting, State greenhouse gas emissions caps, greenhouse gas emissions reductions from motor vehicles, and greenhouse gas emissions cap-and-trade programs for electric generation in several States. Many municipalities in the United States are also pursuing a range of climate-relevant initiatives, those actions are beyond the scope of this paper, but it should be noted they also influence state and national consideration of climate-relevant initiatives in the United States. (author)

  10. DNA-DNA interaction beyond the ground state.

    Science.gov (United States)

    Lee, D J; Wynveen, A; Kornyshev, A A

    2004-11-01

    The electrostatic interaction potential between DNA duplexes in solution is a basis for the statistical mechanics of columnar DNA assemblies. It may also play an important role in recombination of homologous genes. We develop a theory of this interaction that includes thermal torsional fluctuations of DNA using field-theoretical methods and Monte Carlo simulations. The theory extends and rationalizes the earlier suggested variational approach which was developed in the context of a ground state theory of interaction of nonhomologous duplexes. It shows that the heuristic variational theory is equivalent to the Hartree self-consistent field approximation. By comparison of the Hartree approximation with an exact solution based on the QM analogy of path integrals, as well as Monte Carlo simulations, we show that this easily analytically-tractable approximation works very well in most cases. Thermal fluctuations do not remove the ability of DNA molecules to attract each other at favorable azimuthal conformations, neither do they wash out the possibility of electrostatic "snap-shot" recognition of homologous sequences, considered earlier on the basis of ground state calculations. At short distances DNA molecules undergo a "torsional alignment transition," which is first order for nonhomologous DNA and weaker order for homologous sequences.

  11. First evidence for a virtual {sup 18}B ground state

    Energy Technology Data Exchange (ETDEWEB)

    Spyrou, A., E-mail: spyrou@nscl.msu.ed [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Baumann, T.; Bazin, D. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Blanchon, G. [CEA, DAM, DIF F-91297 Arpajon (France); Bonaccorso, A. [Istituto Nazionale di Fisica Nucleare, Sez. di Pisa, Largo Pontecorvo 3, 56127 Pisa (Italy); Breitbach, E. [Department of Physics, Marquette University, Milwaukee, WI 53201 (United States); Brown, J. [Department of Physics, Wabash College, Crawfordsville, IN 47933 (United States); Christian, G. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); DeLine, A. [Department of Physics, Central Michigan University, Mt. Pleasant, MI 48859 (United States); DeYoung, P.A. [Department of Physics, Hope College, Holland, MI 49423 (United States); Finck, J.E. [Department of Physics, Central Michigan University, Mt. Pleasant, MI 48859 (United States); Frank, N. [Department of Physics and Astronomy, Augustana College, Rock Island, IL 61201 (United States); Mosby, S. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Peters, W.A. [Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854 (United States); Russel, A. [Department of Physics, Central Michigan University, Mt. Pleasant, MI 48859 (United States); Schiller, A. [Department of Physics and Astronomy, Ohio University, Athens, OH 45701 (United States)

    2010-01-18

    The decay of the neutron unbound ground state of {sup 18}B was studied for the first time through a single-proton knockout reaction from a 62 MeV/u {sup 19}C beam. The decay energy spectrum was reconstructed from coincidence measurements between the emitted neutron and the {sup 17}B fragment using the MoNA/Sweeper setup. An s-wave line shape was used to describe the experimental spectrum resulting in an upper limit for the scattering length of -50 fm which corresponds to a decay energy <10 keV. Observing an s-wave decay of {sup 18}B provides an experimental verification that the ground state of {sup 19}C includes a large s-wave component. The presence of this s-wave component shows that s-d mixing is still present in {sup 18}B and that the s{sub 1/2} orbital has not moved significantly below the d{sub 5/2} orbital.

  12. Concerted and asynchronous mechanism of ground state proton transfer in alcohol mediated 7-hydroxyquinoline

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Baotao [Department of Chemistry, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Jang, Du-Jeon [Department of Chemistry, Seoul National University, Seoul 151-742 (Korea, Republic of); Lee, Jin Yong, E-mail: jinylee@skku.edu [Department of Chemistry, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2015-07-29

    Highlights: • Reaction rate constants obtained by DFT agree with experimental ones quite well. • Experimental postulate of concerted and asynchronous GSPT was confirmed. • The GSPT reaction can be decomposed into three asynchronous steps. - Abstract: Alcohols mediated 7-hydroxyquinoline (7-HQ) complex has received enormous attractions on the issue of proton transfer reaction in the ground and excited states. In the present paper, concentrating on the ground state proton transfer (GSPT), density functional theory (DFT) calculations were carried out to investigate the intrinsic insight into the reaction mechanism. We found that the GSPT is concerted and asynchronous process and can be accelerated by more acidic alcohol. Such GSPT was initiated by the proton transfer from alcohol to keto group of 7-HQ and finished by the proton transfer from nitrogen to alcohol. Our findings were in agreement with experimental conclusions quite well. Our results would be helpful to understand the proton transfer reaction for 7-HQ and related systems.

  13. Likelihood functions for state space models with diffuse initial conditions

    NARCIS (Netherlands)

    Koopman, S.J.; Shephard, N.; de Vos, A.F.

    2010-01-01

    State space models with non-stationary processes and/or fixed regression effects require a state vector with diffuse initial conditions. Different likelihood functions can be adopted for the estimation of parameters in time-series models with diffuse initial conditions. In this article, we consider

  14. Likelihood functions for state space models with diffuse initial conditions

    NARCIS (Netherlands)

    Francke, M.K.; Koopmans, S.J.; de Vos, A.F.

    2008-01-01

    State space models with nonstationary processes and fixed regression effects require a state vector with diffuse initial conditions. Different likelihood functions can be adopted for the estimation of parameters in time series models with diffuse initial conditions. In this paper we consider

  15. Ground state configurations in antiferromagnetic ultrathin films with dipolar anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Leon, H., E-mail: hleon@imre.oc.uh.cu [Instituto de Ciencia y Tecnologia de Materiales, Universidad de La Habana, Zapata e/ Mazon y G. Vedado, 10400 La Habana (Cuba)

    2013-02-15

    The formalism developed in a previous work to calculate the dipolar energy in quasi-two-dimensional crystals with ferromagnetic order is now extended to collinear antiferromagnetic order. Numerical calculations of the dipolar energy are carried out for systems with tetragonally distorted fcc [001] structures, the case of NiO and MnO ultrathin film grown in non-magnetic substrates, where the magnetic phase is a consequence of superexchange and dipolar interactions. The employed approximation allows to demonstrate that dipolar coupling between atomic layers is responsible for the orientation of the magnetization when it differs from the one in a single layer. The ground state energy of a given NiO or MnO film is found to depend not only on the strain, but also on how much the interlayer separation and the 2D lattice constant are changed with respect to the ideal values corresponding to the non-distorted cubic structure. Nevertheless, it is shown that the orientation of the magnetization in the magnetic phase of any of these films is determined by the strain exclusively. A striped phase with the magnetization along the [112{sup Macron }] direction appears as the ground state configuration of NiO and MnO ultrathin films. In films with equally oriented stripes along the layers this magnetic phase is twofold degenerate, while in films with multidomain layers it is eightfold degenerate. These results are not in contradiction with experimentally observed out-of-plane or in-plane magnetization of striped phases in NiO and MnO ultrathin films. - Highlights: Black-Right-Pointing-Pointer Dipolar energy in collinear antiferromagnetic ultrathin films is calculated. Black-Right-Pointing-Pointer Numerical results are presented for distorted fcc [001] structures. Black-Right-Pointing-Pointer The lowest energy of a system depends on how the tetragonal distortion is achieved. Black-Right-Pointing-Pointer A striped phase with magnetization in the [112{sup Macron }] direction is the

  16. Ground state configurations in antiferromagnetic ultrathin films with dipolar anisotropy

    International Nuclear Information System (INIS)

    León, H.

    2013-01-01

    The formalism developed in a previous work to calculate the dipolar energy in quasi-two-dimensional crystals with ferromagnetic order is now extended to collinear antiferromagnetic order. Numerical calculations of the dipolar energy are carried out for systems with tetragonally distorted fcc [001] structures, the case of NiO and MnO ultrathin film grown in non-magnetic substrates, where the magnetic phase is a consequence of superexchange and dipolar interactions. The employed approximation allows to demonstrate that dipolar coupling between atomic layers is responsible for the orientation of the magnetization when it differs from the one in a single layer. The ground state energy of a given NiO or MnO film is found to depend not only on the strain, but also on how much the interlayer separation and the 2D lattice constant are changed with respect to the ideal values corresponding to the non-distorted cubic structure. Nevertheless, it is shown that the orientation of the magnetization in the magnetic phase of any of these films is determined by the strain exclusively. A striped phase with the magnetization along the [112 ¯ ] direction appears as the ground state configuration of NiO and MnO ultrathin films. In films with equally oriented stripes along the layers this magnetic phase is twofold degenerate, while in films with multidomain layers it is eightfold degenerate. These results are not in contradiction with experimentally observed out-of-plane or in-plane magnetization of striped phases in NiO and MnO ultrathin films. - Highlights: ► Dipolar energy in collinear antiferromagnetic ultrathin films is calculated. ► Numerical results are presented for distorted fcc [001] structures. ► The lowest energy of a system depends on how the tetragonal distortion is achieved. ► A striped phase with magnetization in the [112 ¯ ] direction is the ground state. ► In multidomain NiO and MnO films it is eightfold degenerate.

  17. Ground-state properties of neutron magic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, G., E-mail: gauravphy@gmail.com [Govt. Women Engineering College, Department of Physics (India); Kaushik, M. [Shankara Institute of Technology, Department of Physics (India)

    2017-03-15

    A systematic study of the ground-state properties of the entire chains of even–even neutron magic nuclei represented by isotones of traditional neutron magic numbers N = 8, 20, 40, 50, 82, and 126 has been carried out using relativistic mean-field plus Bardeen–Cooper–Schrieffer approach. Our present investigation includes deformation, binding energy, two-proton separation energy, single-particle energy, rms radii along with proton and neutron density profiles, etc. Several of these results are compared with the results calculated using nonrelativistic approach (Skyrme–Hartree–Fock method) along with available experimental data and indeed they are found with excellent agreement. In addition, the possible locations of the proton and neutron drip-lines, the (Z, N) values for the new shell closures, disappearance of traditional shell closures as suggested by the detailed analyzes of results are also discussed in detail.

  18. Ground State Properties of a Homogeneous Bose-Einstein Condensate

    Science.gov (United States)

    Smith, Robert; Gotlibovych, Igor; Schmidutz, Tobias; Gaunt, Alex; Navon, Nir; Hadzibabic, Zoran

    2014-05-01

    We will present measurements of the coherence, energy and free expansion of a quasi-homogeneous atomic Bose-Einstein condensate (BEC) in an optical box potential. We have measured the ground state wave function of a trapped quasi-pure BEC in momentum space using Bragg spectroscopy and compare this with the real-space wave function. We find excellent quantitative agreement with the Heisenberg uncertainty principle and also confirm the expected scaling of the momentum uncertainty with the box length. In addition, by varying the condensate atom number, we have studied the effect of interactions on the momentum distribution and mean-field energy of the condensate. Finally, we will present measurements of the evolution in time of both the mean-field energy and the momentum distribution of a freely expanding condensate.

  19. Unresolved question of the 10He ground state resonance.

    Science.gov (United States)

    Kohley, Z; Snyder, J; Baumann, T; Christian, G; DeYoung, P A; Finck, J E; Haring-Kaye, R A; Jones, M; Lunderberg, E; Luther, B; Mosby, S; Simon, A; Smith, J K; Spyrou, A; Stephenson, S L; Thoennessen, M

    2012-12-07

    The ground state of (10)He was populated using a 2p2n-removal reaction from a 59 MeV/u (14)Be beam. The decay energy of the three-body system, (8)He+n+n, was measured and a resonance was observed at E=1.60(25) MeV with a 1.8(4) MeV width. This result is in agreement with previous invariant mass spectroscopy measurements, using the (11)Li(-p) reaction, but is inconsistent with recent transfer reaction results. The proposed explanation that the difference, about 500 keV, is due to the effect of the extended halo nature of (11)Li in the one-proton knockout reaction is no longer valid as the present work demonstrates that the discrepancy between the transfer reaction results persists despite using a very different reaction mechanism, (14)Be(-2p2n).

  20. Lower limb ice application alters ground reaction force during gait initiation

    Directory of Open Access Journals (Sweden)

    Thiago B. Muniz

    2015-04-01

    Full Text Available BACKGROUND: Cryotherapy is a widely used technique in physical therapy clinics and sports. However, the effects of cryotherapy on dynamic neuromuscular control are incompletely explained. OBJECTIVES: To evaluate the effects of cryotherapy applied to the calf, ankle and sole of the foot in healthy young adults on ground reaction forces during gait initiation. METHOD: This study evaluated the gait initiation forces, maximum propulsion, braking forces and impulses of 21 women volunteers through a force platform, which provided maximum and minimum ground reaction force values. To assess the effects of cooling, the task - gait initiation - was performed before ice application, immediately after and 30 minutes after removal of the ice pack. Ice was randomly applied on separate days to the calf, ankle and sole of the foot of the participants. RESULTS: It was demonstrated that ice application for 30 minutes to the sole of the foot and calf resulted in significant changes in the vertical force variables, which returned to their pre-application values 30 minutes after the removal of the ice pack. Ice application to the ankle only reduced propulsion impulse. CONCLUSIONS: These results suggest that although caution is necessary when performing activities that require good gait control, the application of ice to the ankle, sole of the foot or calf in 30-minute intervals may be safe even preceding such activities.

  1. Ground state of charged Base and Fermi fluids in strong coupling

    International Nuclear Information System (INIS)

    Mazighi, R.

    1982-03-01

    The ground state and excited states of the charged Bose gas were studied (wave function, equation of state, thermodynamics, application of Feynman theory). The ground state of the charged Fermi gas was also investigated together with the miscibility of charged Bose and Fermi gases at 0 deg K (bosons-bosons, fermions-bosons and fermions-fermions) [fr

  2. State estimators for tracking sharply-maneuvering ground targets

    Science.gov (United States)

    Visina, Radu S.; Bar-Shalom, Yaakov; Willett, Peter

    2017-05-01

    This paper presents an algorithm, based on the Interacting Multiple Model Estimator, that can be used to track the state of kinematic point targets, moving in two dimensions, that are capable of making sharp heading maneuvers over short periods of time, such as certain ground vehicles moving in an open field. The targets are capable of up to 60 °/s turn rates, while polar measurements are received at 1 Hz. We introduce the Non-Zero Mean, White Noise Turn-Rate IMM (IMM-WNTR) that consists of 3 modes based on a White Noise Turn Rate (WNTR) kinematic model that contains additive, white, Gaussian turn rate process noises. Two of the modes are considered maneuvering modes, and they have opposite (left/right), non-zero mean turn rate input noise. The need for non-zero mean turn rate process noise is explained, and Monte Carlo simulations compare this novel design to the traditional (single-mode) White Noise Acceleration Kalman Filter (WNA KF) and the two-mode White Noise Acceleration/Nearly-Coordinated Turn Rate IMM (IMM-CT). Results show that the IMM-WNTR filter achieves better accuracy and real-time consistency between expected error and actual error as compared to the (single-mode) WNA KF and the IMM-CT in all simulated scenarios, making it a very accurate state estimator for targets with sharp coordinated turn capability in 2D.

  3. Climate change initiatives of state departments of transportation : synthesis

    Science.gov (United States)

    2008-01-01

    The WSDOT Public Transportation Division Director requested a synthesis report on the role of state departments of transportation in climate change initiatives. A search of available information has revealed a host of measures underway to reduce gree...

  4. Measurement of the ground-state hyperfine splitting of antihydrogen

    International Nuclear Information System (INIS)

    Juhasz, B.; Widmann, E.

    2006-01-01

    Full text: The hydrogen atom is one of the most extensively studied atomic systems, and its ground state hyperfine splitting (GS-HFS) of ν HFS = 1.42 GHz has been measured with an extremely high precision of δν HFS /ν HFS ∼ 10 -12 . Therefore, the antimatter counterpart of hydrogen, the antihydrogen atom, consisting of an antiproton and a positron, is an ideal laboratory for studying the CPT symmetry. As a test of the CPT invariance, measuring ν HFS of antihydrogen can surpass in accuracy a measurement of the 1S-2S transition frequency proposed by other groups. In fact, it has several advantages over a 1S-2S measurement. Firstly, it does not require the (neutral) antihydrogen atoms to be trapped. Secondly, the only existing consistent extension of the standard model, which is based on a microscopic theory of CPT and Lorentz violation, predicts that νHFS should be more sensitive to CPT violations. In addition, the parameters introduced by Kostelecky et al. have the dimension of energy (or frequency). Therefore, by measuring a relatively small quantity on an energy scale (like the 1.42 GHz GS-HFS splitting), a smaller relative accuracy is needed to reach the same absolute precision for a CPT test. This makes a determination of νHFS with a relative accuracy of 10 -4 competitive to the measured relative mass difference of K 0 and -- K 0 of 10 -18 , which is often quoted as the most precise CPT test so far. The ASACUSA collaboration at CERN's Antiproton Decelerator (AD) has recently submitted a proposal to measure νHFS of antihydrogen in an atomic beam apparatus similar to the ones which were used in the early days of hydrogen HFS spectroscopy. The apparatus consists of two sextupole magnets for the selection and analysis of the spin of the antihydrogen atoms, and a microwave cavity to flip the spin. This method has the advantage that antihydrogen atoms of temperatures up to 150 K, 'evaporating' from a formation region, can be used. Numerical simulations show

  5. Recovery Act: Tennessee Energy Efficient Schools Initiative Ground Source Heat Pump Program

    Energy Technology Data Exchange (ETDEWEB)

    Townsend, Terry [Townsend Engineering, Inc., Davenport, IA (United States); Slusher, Scott [Townsend Engineering, Inc., Davenport, IA (United States)

    2017-04-24

    The Tennessee Energy Efficient Schools Initiative (EESI) Hybrid-Water Source Heat Pump (HY-GSHP) Program sought to provide installation costs and operation costs for different Hybrid water source heat pump systems’ configurations so that other State of Tennessee School Districts will have a resource for comparison purposes if considering a geothermal system.

  6. Towards 6Li-40K ground state molecules

    International Nuclear Information System (INIS)

    Brachmann, Johannes Felix Simon

    2013-01-01

    The production of a quantum gas with strong long - range dipolar interactions is a major scientific goal in the research field of ultracold gases. In their ro - vibrational ground state Li-K dimers possess a large permanent dipole moment, which could possibly be exploited for the realization of such a quantum gas. A production of these molecules can be achieved by the association of Li and K at a Feshbach resonance, followed by a coherent state transfer. In this thesis, detailed theoretical an experimental preparations to achieve state transfer by means of Stimulated Raman Adiabatic Passage (STIRAP) are described. The theoretical preparations focus on the selection of an electronically excited molecular state that is suitable for STIRAP transfer. In this context, molecular transition dipole moments for both transitions involved in STIRAP transfer are predicted for the first time. This is achieved by the calculation of Franck-Condon factors and a determination of the state in which the 6 Li- 40 K Feshbach molecules are produced. The calculations show that state transfer by use of a single STIRAP sequence is experimentally very well feasible. Further, the optical wavelengths that are needed to address the selected states are calculated. The high accuracy of the data will allow to carry out the molecular spectroscopy in a fast and efficient manner. Further, only a comparatively narrow wavelength tuneability of the spectroscopy lasers is needed. The most suitable Feshbach resonance for the production of 6 Li- 40 K molecules at experimentally manageable magnetic field strengths is occurring at 155 G. Experimentally, this resonance is investigated by means of cross-dimensional relaxation. The application of the technique at various magnetic field strengths in the vicinity of the 155 G Feshbach resonance allows a determination of the resonance position and width with so far unreached precision. This reveals the production of molecules on the atomic side of the resonance

  7. Short-range interaction energy for ground state H2+

    Science.gov (United States)

    Battezzati, Michele; Magnasco, Valerio

    2006-12-01

    Two of the Hermitian eigenvalue equations resulting from the separation of the three-dimensional Schroedinger equation for H2+ in spheroidals are solved perturbatively for the ground state by expanding the action in positive powers of the internuclear distance R near the united atom He+. The dispersion relations between the separation constants A and Ee are seen to have rigorous analytic solutions, the third-order equation leading to an exact expansion for the inner determinantal equation up to R10. The explicit form for the expansion coefficients is determined up to n = 10, and is seen to contain up to the third power of (γ + ln 4R) logarithmic terms. Even if the general range of validity of the short-range Rn-expansion is expected to be smaller than the corresponding long-range R-n-expansion, it is important to stress that such higher expansion coefficients are calculated exactly for the first time. These formulae give extremely accurate numerical results up to R cong 0.3a0.

  8. Line list for the MgF ground state

    Science.gov (United States)

    Hou, Shilin; Bernath, Peter F.

    2017-12-01

    An extended Morse oscillator (EMO) potential function was obtained by fitting the observed laboratory vibration-rotation and pure rotational spectra of the 24MgF X2Σ+ ground state. The fitted potential reproduces the observed transitions within the observation uncertainties. With this EMO potential and an analytic dipole moment function in the form of a Padé approximant fitted using ab initio dipole moment data, line lists for 24MgF, 25MgF and 26MgF were computed for v≤8, N≤100, Δv=0-8. It was discovered that directly using the ab initio dipole moment points with cubic spline interpolation to calculate line intensities worked for Δv<3, but failed for higher Δv values. A simple solution was found by fitting the ab initio dipole points with a suitable analytical dipole moment function. The calculated emission spectra are in good agreement with an observed laboratory spectrum with the MgF sample at 1823 K.

  9. Prior knowledge processing for initial state of Kalman filter

    Czech Academy of Sciences Publication Activity Database

    Suzdaleva, Evgenia

    2010-01-01

    Roč. 24, č. 3 (2010), s. 188-202 ISSN 0890-6327 R&D Projects: GA ČR(CZ) GP201/06/P434 Institutional research plan: CEZ:AV0Z10750506 Keywords : Kalman filter ing * prior knowledge * state-space model * initial state distribution Subject RIV: BC - Control Systems Theory Impact factor: 0.729, year: 2010 http://library.utia.cas.cz/separaty/2009/AS/suzdaleva-prior knowledge processing for initial state of kalman filter .pdf

  10. A ground state depleted laser in neodymium doped yttrium orthosilicate

    Energy Technology Data Exchange (ETDEWEB)

    Beach, R.; Albrecht, G.; Solarz, R.; Krupke, W.; Comaskey, B.; Mitchell, S. [Lawrence Livermore National Lab., CA (USA); Brandle, C.; Berkstresser, G. [AT and T Bell Labs., Murray Hill, NJ (USA)

    1990-01-16

    A ground state depleted (GSD){sup 1,2} laser has been demonstrated in the form of a Q-switched oscillator operating at 912 nm. Using Nd{sup 3+} as the active ion and Y{sub 2}SiO{sub 5} as the host material, the laser transition is from the lowest lying stark level of the Nd{sup 3t}F{sub 3/2} level to a stark level 355 cm{sup {minus}1} above the lowest lying one in the {sup 4}I{sub 9/2} manifold. The necessity of depleting the ground {sup 4}I{sub 9/2} manifold is evident for this level scheme as transparency requires a 10% inversion. To achieve the high excitation levels required for the efficient operation of this laser, bleach wave pumping using an alexandrite laser at 745 nm has been employed. The existence of a large absorption feature at 810 nm also allows for the possibility of AlGaAs laser diode pumping. Using KNbO{sub 3}, noncritical phase matching is possible at 140{degree}C using d{sub 32} and has been demonstrated. The results of Q-switched laser performance and harmonic generation in KNbO{sub 3} will be presented. Orthosilicate can be grown in large boules of excellent optical quality using a Czochralski technique. Because of the relatively small 912 nm emission cross section of 2-3 {times} 10{sup {minus}20} cm{sup 2} (orientation dependent) fluences of 10-20 J/cm{sup 2} must be circulated in the laser cavity for the efficient extraction of stored energy. This necessitates very aggressive laser damage thresholds. Results from the Reptile laser damage facility at Lawrence Livermore National Laboratory (LLNL) will be presented showing Y{sub 2}SiO{sub 5} bulk and AR sol-gel coated surface damage thresholds of greater than 40 J/cm{sup 2} for 10 nsec, 10 Hz, 1.06 {mu} pulses. 16 refs., 18 figs., 6 tabs.

  11. Ground Water Quality Protection. State and Local Strategies.

    Science.gov (United States)

    National Academy of Sciences - National Research Council, Washington, DC. Commission on Physical Sciences, Mathematics, and Resources.

    Using regional case studies, this document examines representative programs for dealing with ground water contamination. Section one describes the ground water protection strategy of the U.S. Environmental Protection Agency (EPA); (2) discusses the limited data available for determining the extent of contamination; (3) provides a listing of the…

  12. Correlated ground state and E2 giant resonance built on it

    International Nuclear Information System (INIS)

    Tohyama, Mitsuru

    1995-01-01

    Taking 16 O as an example of realistic nuclei, we demonstrate that a correlated ground state can be obtained as a long time solution of a time-dependent density-matrix formalism (TDDM) when the residual interaction is adiabatically treated. We also study in TDDM the E2 giant resonance of 16 O built on the correlated ground state and compare it with that built on the Hartree-Fock ground state. It is found that a spurious mixing of low frequency components seen in the latter is eliminated by using the correlated ground state. (author)

  13. Ground state solutions for asymptotically periodic Schrodinger equations with critical growth

    Directory of Open Access Journals (Sweden)

    Hui Zhang

    2013-10-01

    Full Text Available Using the Nehari manifold and the concentration compactness principle, we study the existence of ground state solutions for asymptotically periodic Schrodinger equations with critical growth.

  14. Derivation of novel human ground state naive pluripotent stem cells.

    Science.gov (United States)

    Gafni, Ohad; Weinberger, Leehee; Mansour, Abed AlFatah; Manor, Yair S; Chomsky, Elad; Ben-Yosef, Dalit; Kalma, Yael; Viukov, Sergey; Maza, Itay; Zviran, Asaf; Rais, Yoach; Shipony, Zohar; Mukamel, Zohar; Krupalnik, Vladislav; Zerbib, Mirie; Geula, Shay; Caspi, Inbal; Schneir, Dan; Shwartz, Tamar; Gilad, Shlomit; Amann-Zalcenstein, Daniela; Benjamin, Sima; Amit, Ido; Tanay, Amos; Massarwa, Rada; Novershtern, Noa; Hanna, Jacob H

    2013-12-12

    Mouse embryonic stem (ES) cells are isolated from the inner cell mass of blastocysts, and can be preserved in vitro in a naive inner-cell-mass-like configuration by providing exogenous stimulation with leukaemia inhibitory factor (LIF) and small molecule inhibition of ERK1/ERK2 and GSK3β signalling (termed 2i/LIF conditions). Hallmarks of naive pluripotency include driving Oct4 (also known as Pou5f1) transcription by its distal enhancer, retaining a pre-inactivation X chromosome state, and global reduction in DNA methylation and in H3K27me3 repressive chromatin mark deposition on developmental regulatory gene promoters. Upon withdrawal of 2i/LIF, naive mouse ES cells can drift towards a primed pluripotent state resembling that of the post-implantation epiblast. Although human ES cells share several molecular features with naive mouse ES cells, they also share a variety of epigenetic properties with primed murine epiblast stem cells (EpiSCs). These include predominant use of the proximal enhancer element to maintain OCT4 expression, pronounced tendency for X chromosome inactivation in most female human ES cells, increase in DNA methylation and prominent deposition of H3K27me3 and bivalent domain acquisition on lineage regulatory genes. The feasibility of establishing human ground state naive pluripotency in vitro with equivalent molecular and functional features to those characterized in mouse ES cells remains to be defined. Here we establish defined conditions that facilitate the derivation of genetically unmodified human naive pluripotent stem cells from already established primed human ES cells, from somatic cells through induced pluripotent stem (iPS) cell reprogramming or directly from blastocysts. The novel naive pluripotent cells validated herein retain molecular characteristics and functional properties that are highly similar to mouse naive ES cells, and distinct from conventional primed human pluripotent cells. This includes competence in the generation

  15. Optimized RVB states of the 2-d antiferromagnet: ground state and excitation spectrum

    Science.gov (United States)

    Chen, Yong-Cong; Xiu, Kai

    1993-10-01

    The Gutzwiller projection of the Schwinger-boson mean-field solution of the 2-d spin- {1}/{2} antiferromagnet in a square lattice is shown to produce the optimized, parameter-free RVB ground state. We get -0.6688 J/site and 0.311 for the energy and the staggered magnetization. The spectrum of the excited states is found to be linear and gapless near k≅0. Our calculation suggests, upon breaking of the rotational symmetry, ɛ k≅2JZ r1-γ 2k with Zr≅1.23.

  16. Mathematical aspects of ground state tunneling models in luminescence materials

    Energy Technology Data Exchange (ETDEWEB)

    Pagonis, Vasilis, E-mail: vpagonis@mcdaniel.edu [Physics Department, McDaniel College, Westminster, MD 21157 (United States); Kitis, George [Nuclear Physics Laboratory, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece)

    2015-12-15

    Luminescence signals from a variety of natural materials have been known to decrease with storage time at room temperature due to quantum tunneling, a phenomenon known as anomalous fading. This paper is a study of several mathematical aspects of two previously published luminescence models which describe tunneling phenomena from the ground state of a donor–acceptor system. It is shown that both models are described by the same type of integral equation, and two new analytical equations are presented. The first new analytical equation describes the effect of anomalous fading on the dose response curves (DRCs) of naturally irradiated samples. The DRCs in the model were previously expressed in the form of integral equations requiring numerical integration, while the new analytical equation can be used immediately as a tool for analyzing experimental data. The second analytical equation presented in this paper describes the anomalous fading rate (g-Value per decade) as a function of the charge density in the model. This new analytical expression for the g-Value is tested using experimental anomalous fading data for several apatite crystals which exhibit high rate of anomalous fading. The two new analytical results can be useful tools for analyzing anomalous fading data from luminescence materials. In addition to the two new analytical equations, an explanation is provided for the numerical value of a constant previously introduced in the models. - Highlights: • Comparative study of two luminescence models for feldspars. • Two new analytical equations for dose response curves and anomalous fading rate. • The numerical value z=1.8 of previously introduced constant in models explained.

  17. Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization

    Energy Technology Data Exchange (ETDEWEB)

    Ellis, J. Michael; Altman, Michael D.; Cash, Brandon; Haidle, Andrew M.; Kubiak, Rachel L.; Maddess, Matthew L.; Yan, Youwei; Northrup, Alan B. (Merck)

    2016-12-08

    Optimization of a series of highly potent and kinome selective carbon-linked carboxamide spleen tyrosine kinase (Syk) inhibitors with favorable drug-like properties is described. A pervasive Ames liability in an analogous nitrogen-linked carboxamide series was obviated by replacement with a carbon-linked moiety. Initial efforts lacked on-target potency, likely due to strain induced between the hinge binding amide and solvent front heterocycle. Consideration of ground state and bound state energetics allowed rapid realization of improved solvent front substituents affording subnanomolar Syk potency and high kinome selectivity. These molecules were also devoid of mutagenicity risk as assessed via the Ames test using the TA97a Salmonella strain.

  18. Photophysics of trioxatriangulenium ion. Electrophilic reactivity in the ground state and excited singlet state

    DEFF Research Database (Denmark)

    Reynisson, J.; Wilbrandt, R.; Brinck, V.

    2002-01-01

    . The physical and chemical properties of the excited singlet state of the trioxatriangulenium (TOTA(+)) carbenium ion are investigated by experimental and Computational means. The degeneracy of the lowest excited states is counteracted by Jahn-Teller-type distortion, which leads to vibronic broadening...... of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...... triphenylenes is studied separately. Phosphorescence spectra, triplet lifetimes, and triplet-triplet absorption spectra are provided. In the discussion, TOTA(+) is compared to the unsubstituted xanthenium ion and its 9-phenyl derivative with respect to the excited state properties....

  19. The United States initiative for international radioactive source management (ISRM)

    International Nuclear Information System (INIS)

    Naraine, N.; Karhnak, J.

    1999-01-01

    The United States takes seriously the potential problems from uncontrolled radioactive sources. To address these problems, the United States Department of State is leading the development of an initiative for International Radioactive Source Management (ISRM). The Department of State, through a number of Federal and state agencies, regulatory bodies and private industry, will endeavor to provide coordinated support to the international community, particularly through IAEA, to assist in the development and implementation of risk-based clearance levels to support import/export of radioactive contaminated metals and the tracking, management, identification, remediation, and disposition of 'lost sources' entering nation states and targeted industries. The United States believes that the international control of radioactive sources is critical in avoiding wide-spread contamination of the world metal supply. Thus the initiative has four objectives: (1) Protect sources from becoming lost (Tracking management); (2) Identify primary locations where sources have been lost (Stop future losses); (3) Locate lost sources (monitor and retrieve); and (4) Educate and train (deploy knowledge and technology). A number of efforts already underway in the United States support the overall initiative. The EPA has provided a grant to the Conference of Radiation Program Control Directors (CRCPD) to develop a nation-wide program for the disposition of orphaned radioactive sources. This program now has internet visibility and a toll-free telephone number to call for assistance in the disposal of sources. The Nuclear Regulatory Commission (NRC), the Department of Energy (DOE), and other government agencies as well as private companies are assisting CRCPD in this program. The NRC has begun a program to improve control of radioactive sources in the United States, and also intends to promulgate a regulation defining conditions for the release of materials from licensed facilities. The DOE is

  20. Ground-state depletion for subdiffraction-limited spatial resolution in coherent anti-Stokes Raman

    NARCIS (Netherlands)

    Cleff, C.; Groß, P.; Fallnich, C.; Offerhaus, H. L.; Herek, J.; Kruse, K.; Beeker, W. P.; Lee, C. J.; Boller, K. J.

    2012-01-01

    We theoretically investigate ground-state depletion for subdiffraction-limited spatial resolution in coherent anti-Stokes Raman scattering (CARS) microscopy. We propose a scheme based on ground-state depopulation, which is achieved via a control laser light field incident prior to the CARS

  1. Cluster decay of Ba isotopes from ground state and as an excited ...

    Indian Academy of Sciences (India)

    Abstract. The decay properties of various even–even isotopes of barium in the range 112 ≤ A ≤. 122 is studied by modifying the Coulomb and proximity potential model for both the ground and excited state decays, using recent mass tables. Most of the values predicted for ground state decays are within the experimental ...

  2. Construction and study of exact ground states for a class of quantum antiferromagnets

    International Nuclear Information System (INIS)

    Fannes, M.

    1989-01-01

    Techniques of quantum probability are used to construct the exact ground states for a class of quantum spin systems in one dimension. This class in particular contains the antiferromagnetic models introduced by various authors under the name of VBS-models. The construction permits a detailed study of these ground states. (A.C.A.S.) [pt

  3. Cluster decay of 112− 122 Ba isotopes from ground state and as an ...

    Indian Academy of Sciences (India)

    A≤122 is studied by modifying the Coulomb and proximity potential model for both the ground and excited state decays, using recent mass tables. Most of the values predicted for ground state decays are within the experimental limit for ...

  4. Ab initio calculation atomics ground state wave function for interactions Ion- Atom

    International Nuclear Information System (INIS)

    Shojaee, F.; Bolori zadeh, M. A.

    2007-01-01

    Ab initio calculation atomics ground state wave function for interactions Ion- Atom Atomic wave function expressed in a Slater - type basis obtained within Roothaan- Hartree - Fock for the ground state of the atoms He through B. The total energy is given for each atom.

  5. A macroscopic physical model for self-initiated upward leaders from tall grounded objects and its application

    Science.gov (United States)

    Chan, Ming-Kit; Chen, Mingli; Du, Ya-ping

    2018-02-01

    This paper presents a macroscopic physical model that can simulate an upward leader initiated from a tall grounded object under thunderclouds. Based on a tri-layer leader channel structure and the energy conservation law, a new equation for estimating the upward leader propagation speed is proposed. Equations for modeling other physical parameters, such as the leader line charge density, leader core radius, leader corona sheath radius, leader current, leader electric field and leader conductance, are also proposed. Besides, a set of initiation and survival criteria for a steady self-initiated upward leader from a tall grounded object is suggested. Based on the suggested criteria and the proposed model, the critical corona and charge amount as well as the minimum height for successful initiation of an upward positive leader (UPL) from a tall grounded object are evaluated and discussed. The model is then used to investigate the general properties of UPLs self-initiated from tall grounded objects with and without the effect of corona space charge layer near the ground under different thunderstorm conditions. The modelling results can well explain the leader properties observed in literature. The model is further tested with two set of experiment data and very promising results are obtained.

  6. State-of-the-Art in Open Courseware Initiatives Worldwide

    Science.gov (United States)

    Vladoiu, Monica

    2011-01-01

    We survey here the state-of-the-art in open courseware initiatives worldwide. First, the MIT OpenCourseWare project is overviewed, as it has been the real starting point of the OCW movement. Usually, open courseware refers to a free and open digital publication of high quality university level educational materials that are organized as courses,…

  7. The Florida State Initial Teacher Certification Test: A Case Study.

    Science.gov (United States)

    Dorn, Charles M.

    1989-01-01

    Describes the development of the art certification examination which was designed for the Florida State Initial Teacher Certification Test. Discusses problems of subjectivity, content, and question format. Suggests criteria which can guide the development of viable college art education programs that can adequately prepare teachers in the areas of…

  8. Disordered ground states for classical discrete-state problems in one dimension

    International Nuclear Information System (INIS)

    Canright, G.; Watson, G.

    1996-01-01

    It is known that one-dimensional lattice problems with a discrete, finite set of states per site open-quotes genericallyclose quotes have periodic ground states (GSs). We consider slightly less generic cases, in which the Hamiltonian is constrained by either spin (S) or spatial (I) inversion symmetry (or both). We show that such constraints give rise to the possibility of disordered GSs over a finite fraction of the coupling-parameter space---that is, without invoking any nongeneric open-quotes fine tuningclose quotes of coupling constants, beyond that arising from symmetry. We find that such disordered GSs can arise for many values of the number of states k at each site and the range r of the interaction. The Ising (k = 2) case is the least prone to disorder: I symmetry allows for disordered GSs (without fine tuning) only for r ≥ 5, while S symmetry open-quotes neverclose quotes gives rise to disordered GSs

  9. Initial-state dependence of the quench dynamics in integrable quantum systems

    Energy Technology Data Exchange (ETDEWEB)

    Rigol, Marcos [Department of Physics,Georgetown University, Washington, DC 20057 (United States); Fitzpatrick, Mattias [Department of Physics,Georgetown University, Washington, DC 20057 (United States); Department of Physics, Middlebury College, Middlebury, Vermont 05753 (United States)

    2011-09-15

    We identify and study classes of initial states in integrable quantum systems that, after the relaxation dynamics following a sudden quench, lead to near-thermal expectation values of few-body observables. In the systems considered here, those states are found to be insulating ground states of lattice hard-core boson Hamiltonians. We show that, as a suitable parameter in the initial Hamiltonian is changed, those states become closer to Fock states (products of single site states) as the outcome of the relaxation dynamics becomes closer to the thermal prediction. At the same time, the energy density approaches a Gaussian. Furthermore, the entropy associated with the generalized canonical and generalized grand-canonical ensembles, introduced to describe observables in integrable systems after relaxation, approaches that of the conventional canonical and grand-canonical ensembles. We argue that those classes of initial states are special because a control parameter allows one to tune the distribution of conserved quantities to approach the one in thermal equilibrium. This helps in understanding the approach of all the quantities studied to their thermal expectation values. However, a finite-size scaling analysis shows that this behavior should not be confused with thermalization as understood for nonintegrable systems.

  10. United States policy initiatives in promoting the RERTR program

    International Nuclear Information System (INIS)

    Huizenga, David G.

    1996-01-01

    The Reduced Enrichment for Research and Test Reactors (RERTR) program has been successful in furthering efforts to reduce and eventually eliminate highly enriched uranium (HEU) from international commerce. Three key policy initiatives are underway to further promote the RERTR program. The first initiative is implementation of a new nuclear weapons nonproliferation policy concerning foreign research reactor spent nuclear fuel. Under this policy, the United States will accept over the next 13 years research reactor spent fuel from 41 countries that have converted or plan to convert to use LEU fuels. The second initiative is to pursue cooperative efforts to expand the RERTR program to new regions of the globe, including Russia and China. The third initiative is to restart the advanced LEU fuels development program at the Argonne National Laboratory in order to increase the number of reactors that can convert to use LEU without significant detriment to their performance

  11. Shock Initiation and Equation of State of Ammonium Nitrate

    Science.gov (United States)

    Robbins, David; Sheffield, Steve; Dattelbaum, Dana; Chellappa, Raja; Velisavljevic, Nenad

    2013-06-01

    Ammonium nitrate (AN) is a widely used fertilizer and mining explosive commonly found in ammonium nitrate-fuel oil. Neat AN is a non-ideal explosive with measured detonation velocities approaching 4 km/s. Previously, we reported a thermodynamically-complete equation of state for AN based on its maximum density, and showed that near-full density AN did not initiate when subjected to shock input conditions up to 22 GPa. In this work, we extend these initial results, by presenting new Hugoniot data for intermediate density neat AN obtained from gas gun-driven plate impact experiments. AN at densities from 1.8 to 1.5 g/cm3 were impacted into LiF windows using a two-stage light gas gun. Dual VISARs were used to measure the interfacial particle velocity wave profile as a function of time following impact. The new Hugoniot data, in addition to updates to thermodynamic parameters derived from structural analysis and vibrational spectroscopy measurements in high pressure diamond anvil cell experiments, are used to refine the unreacted EOS for AN. Furthermore, shock initiation of neat AN was observed as the initial porosity increased (density decreased). Insights into the relationship(s) between initial density and shock initiation sensitivity are also presented, from evidence of shock initiation in the particle velocity profiles obtained for the lower density AN samples.

  12. Total and single differential cross sections for the electron impact ionization of the ground state of helium

    International Nuclear Information System (INIS)

    Singh, T.S.C.; Choudhury, K.B.; Singh, M.B.; Deb, N.C.; Mukherjee, S.C.; Mazumdar, P.S.

    1997-01-01

    Total cross sections (TCS) and single differential cross sections (SDCS) have been computed for the single ionization of the ground state of helium by electron impact in a distorted wave formalism which takes into account the effects of the initial and final channel distortions. The present TCS and SDCS results are in fair agreement with the measured values and other theoretical predictions for the incident electron energy E i > 150 eV. (orig.)

  13. The significant role of covalency in determining the ground state of cobalt phthalocyanines molecule

    Directory of Open Access Journals (Sweden)

    Jing Zhou

    2016-03-01

    Full Text Available To shed some light on the metal 3d ground state configuration of cobalt phthalocyanines system, so far in debate, we present an investigation by X-ray absorption spectroscopy (XAS at Co L2,3 edge and theoretical calculation. The density functional theory calculations reveal highly anisotropic covalent bond between central cobalt ion and nitrogen ligands, with the dominant σ donor accompanied by weak π-back acceptor interaction. Our combined experimental and theoretical study on the Co-L2,3 XAS spectra demonstrate a robust ground state of 2A1g symmetry that is built from 73% 3d7 character and 27% 3 d 8 L ¯ ( L ¯ denotes a ligand hole components, as the first excited-state with 2Eg symmetry lies about 158 meV higher in energy. The effect of anisotropic and isotropic covalency on the ground state was also calculated and the results indicate that the ground state with 2A1g symmetry is robust in a large range of anisotropic covalent strength while a transition of ground state from 2A1g to 2Eg configuration when isotropic covalent strength increases to a certain extent. Here, we address a significant anisotropic covalent effect of short Co(II-N bond on the ground state and suggest that it should be taken into account in determining the ground state of analogous cobalt complexes.

  14. The significant role of covalency in determining the ground state of cobalt phthalocyanines molecule

    Science.gov (United States)

    Zhou, Jing; Zhang, Linjuan; Hu, Zhiwei; Kuo, Changyang; Liu, Hengjie; Lin, Xiao; Wang, Yu; Pi, Tun-Wen; Wang, Jianqiang; Zhang, Shuo

    2016-03-01

    To shed some light on the metal 3d ground state configuration of cobalt phthalocyanines system, so far in debate, we present an investigation by X-ray absorption spectroscopy (XAS) at Co L2,3 edge and theoretical calculation. The density functional theory calculations reveal highly anisotropic covalent bond between central cobalt ion and nitrogen ligands, with the dominant σ donor accompanied by weak π-back acceptor interaction. Our combined experimental and theoretical study on the Co-L2,3 XAS spectra demonstrate a robust ground state of 2A1g symmetry that is built from 73% 3d7 character and 27% 3 d 8 L ¯ ( L ¯ denotes a ligand hole) components, as the first excited-state with 2Eg symmetry lies about 158 meV higher in energy. The effect of anisotropic and isotropic covalency on the ground state was also calculated and the results indicate that the ground state with 2A1g symmetry is robust in a large range of anisotropic covalent strength while a transition of ground state from 2A1g to 2Eg configuration when isotropic covalent strength increases to a certain extent. Here, we address a significant anisotropic covalent effect of short Co(II)-N bond on the ground state and suggest that it should be taken into account in determining the ground state of analogous cobalt complexes.

  15. Integrated water vapor from IGS ground-based GPS observations: initial results from a global 5-min data set

    Directory of Open Access Journals (Sweden)

    S. Heise

    2009-07-01

    Full Text Available Ground based GPS zenith path delay (ZPD measurements are well established as a powerful tool for integrated water vapor (IWV observation. The International GNSS Service (IGS provides ZPD data of currently more than 300 globally distributed GPS stations. To derive IWV from these data, meteorological information (ground pressure and mean temperature above the station are needed. Only a limited number of IGS stations is equipped with meteorological ground sensors up to now. Thus, meteorological data for IWV conversion are usually derived from nearby ground meteorological observations (ground pressure and meteorological analyses (mean temperature. In this paper we demonstrate for the first time the applicability of ground pressure data from ECMWF meteorological analysis fields in this context. Beside simplified data handling (no single station data and quality control this approach allows for IWV derivation if nearby meteorological stations are not available. Using ECMWF ground pressure and mean temperature data the new IGS 5-min ZPD data set has been converted to IWV for the first time. We present initial results from selected stations with ground meteorological sensors including pressure and temperature comparisons between ECMWF and local measurements. The GPS IWV is generally validated by comparison with ECMWF IWV. The ECMWF derived station meteorological data are compared with local measurements at all accordingly equipped stations. Based on this comparison, the mean error (in terms of standard deviation introduced by time interpolation of the 6-hourly ECMWF data is estimated below 0.2 mm IWV.

  16. Integrated water vapor from IGS ground-based GPS observations. Initial results from a global 5-min data set

    Energy Technology Data Exchange (ETDEWEB)

    Heise, S.; Dick, G.; Gendt, G.; Schmidt, T.; Wickert, J. [GFZ German Research Centre for Geosciences, Potsdam (Germany). Dept. 1 Geodesy and Remote Sensing

    2009-07-01

    Ground based GPS zenith path delay (ZPD) measurements are well established as a powerful tool for integrated water vapor (IWV) observation. The International GNSS Service (IGS) provides ZPD data of currently more than 300 globally distributed GPS stations. To derive IWV from these data, meteorological information (ground pressure and mean temperature above the station) are needed. Only a limited number of IGS stations is equipped with meteorological ground sensors up to now. Thus, meteorological data for IWV conversion are usually derived from nearby ground meteorological observations (ground pressure) and meteorological analyses (mean temperature). In this paper we demonstrate for the first time the applicability of ground pressure data from ECMWF meteorological analysis fields in this context. Beside simplified data handling (no single station data and quality control) this approach allows for IWV derivation if nearby meteorological stations are not available. Using ECMWF ground pressure and mean temperature data the new IGS 5-min ZPD data set has been converted to IWV for the first time. We present initial results from selected stations with ground meteorological sensors including pressure and temperature comparisons between ECMWF and local measurements. The GPS IWV is generally validated by comparison with ECMWF IWV. The ECMWF derived station meteorological data are compared with local measurements at all accordingly equipped stations. Based on this comparison, the mean error (in terms of standard deviation) introduced by time interpolation of the 6-hourly ECMWF data is estimated below 0.2 mm IWV. (orig.)

  17. Generalization of the second law for a nonequilibrium initial state

    Energy Technology Data Exchange (ETDEWEB)

    Hasegawa, H.-H., E-mail: hhh@mx.ibaraki.ac.j [Department of Mathematical Sciences, Ibaraki University, Bunkyo, Mito 310-8512 (Japan); Ishikawa, J.; Takara, K. [Department of Mathematical Sciences, Ibaraki University, Bunkyo, Mito 310-8512 (Japan); Driebe, D.J. [Division of Math, Science and Technology, Nova Southeastern University, Fort Lauderdale, FL 33314 (United States)

    2010-02-08

    We generalize the second law of thermodynamics in its maximum work formulation for a nonequilibrium initial distribution. It is found that in an isothermal process, the Boltzmann relative entropy (H-function) is not just a Lyapunov function but also tells us the maximum work that may be gained from a nonequilibrium initial state. The generalized second law also gives a fundamental relation between work and information. It is valid even for a small Hamiltonian system not in contact with a heat reservoir but with an effective temperature determined by the isentropic condition. Our relation can be tested in the Szilard engine, which will be realized in the laboratory.

  18. Initial angular momentum state in pp annihilation at rest

    CERN Document Server

    Bizzarri, R

    1972-01-01

    The author shows that no quantitative statement on the relative importance of initial P-states in pp annihilation can be made. Annihilations in flight indicate that P-wave annihilation into K/sub 1 //sup 0/K/sub 1//sup 0/ is inhibited while annihilation into pi pi is enhanced and might suggest a P-wave contamination approximately 10%. The observatory of the final state K/sub 1//sup 0/K/sub 1//sup 0/n from annihilations at rest indicates that the depression of the K/sub 1//sup 0/K/sub 1//sup 0/ final state is not so important and suggests a P-wave contamination smaller than 4%. Furthermore the successes obtained in the analysis of various final states on the assumption of S-wave annihilation are hard to reconcile with a P-wave contribution bigger than approximately 5%. (20 refs).

  19. Ground-state characterizations of systems predicted to exhibit L11 or L13 crystal structures

    Science.gov (United States)

    Nelson, Lance J.; Hart, Gus L. W.; Curtarolo, Stefano

    2012-02-01

    Despite their geometric simplicity, the crystal structures L11 (CuPt) and L13 (CdPt3) do not appear as ground states experimentally, except in Cu-Pt. We investigate the possibility that these phases are ground states in other binary intermetallic systems, but overlooked experimentally. Via the synergy between high-throughput and cluster-expansion computational methods, we conduct a thorough search for systems that may exhibit these phases and calculate order-disorder transition temperatures when they are predicted. High-throughput calculations predict L11 ground states in the systems Ag-Pd, Ag-Pt, Cu-Pt, Pd-Pt, Li-Pd, Li-Pt, and L13 ground states in the systems Cd-Pt, Cu-Pt, Pd-Pt, Li-Pd, Li-Pt. Cluster expansions confirm the appearance of these ground states in some cases. In the other cases, cluster expansion predicts unsuspected derivative superstructures as ground states. The order-disorder transition temperatures for all L11/L13 ground states were found to be sufficiently high that their physical manifestation may be possible.

  20. Coherence Evolution and Transfer Supplemented by Sender's Initial-State Restoring

    Science.gov (United States)

    Fel'dman, E. B.; Zenchuk, A. I.

    2017-12-01

    The evolution of quantum coherences comes with a set of conservation laws provided that the Hamiltonian governing this evolution conserves the spin-excitation number. At that, coherences do not intertwist during the evolution. Using the transmission line and the receiver in the initial ground state we can transfer the coherences to the receiver without interaction between them, although the matrix elements contributing to each particular coherence intertwist in the receiver's state. Therefore we propose a tool based on the unitary transformation at the receiver side to untwist these elements and thus restore (at least partially) the structure of the sender's initial density matrix. A communication line with two-qubit sender and receiver is considered as an example of implementation of this technique.

  1. Arsenic in Ground Water of the United States

    Science.gov (United States)

    ... Team More Information Arsenic in groundwater of the United States Arsenic in groundwater is largely the result of ... Gronberg (2011) for updated arsenic map. Featured publications United States Effects of human-induced alteration of groundwater flow ...

  2. Initial-State Graviton Radiation in Quantum Black Hole Production

    CERN Document Server

    AUTHOR|(CDS)2262067

    2017-01-01

    Monte Carlo simulation of quantum black hole production in the ATLAS experiment that allows for graviton radiation in the initial state is discussed and studied. It is concluded that, using trapped surface calculations and graviton emission, a black hole signal would be significant for Planck scales up to 4.5 TeV given a proton-proton luminosity of 37 fb$^{-1}$ in the 13 TeV LHC configuration.

  3. Initial observations of cloud-to-ground lightning activity in microburst producing storms

    Science.gov (United States)

    Buechler, Dennis E.; Goodman, Steven J.

    1988-01-01

    Preliminary observations of cloud-to-ground lightning activity associated with wet microburst producing storms observed during the summer of 1986 near Huntsville, AL are presented. Reflectivity and velocity measurements obtained from two 10 cm Doppler radars are used to identify and characterize the microburst windshears and their parent clouds. A four-station lightning location network is used to characterize the ground discharges produced by these storms. Results show cloud-to-ground flashes preceding the microburst onset by 0 - 28 minutes and suggest that any storm in a microburst environment that produces a discharge to ground has the potential to generate an intense downdraft.

  4. Design, construction and initial state of the underground openings

    Energy Technology Data Exchange (ETDEWEB)

    2010-12-15

    The report is included in a set of Production reports, presenting how the KBS-3 repository is designed, produced and inspected. The set of reports is included in the safety report for the KBS-3 repository and repository facility. The report provides input on the initial state of the underground openings for the assessment of the long-term safety, SR-Site. The initial state refers to the properties of the underground openings at final disposal, backfilling or closure. In addition, the report provides input to the operational safety report, SR-Operation, on how the underground openings shall be constructed and inspected. The report presents the design premises and the methodology applied to design the underground openings and adapt them the to the site conditions so that they conform to the design premises. It presents the reference design at Forsmark and its conformity to the design premises. It also describes the reference methods to be applied to construct and inspect the different kinds of underground openings. Finally, the initial state of the underground openings and its conformity to the design premises is presented

  5. Design, production and initial state of the buffer

    International Nuclear Information System (INIS)

    Boerjesson, Lennart; Gunnarsson, David; Johannesson, Lars-Erik; Jonsson, Esther

    2010-12-01

    The report is included in a set of Production reports, presenting how the KBS-3 repository is designed, produced and inspected. The set of reports is included in the safety report for the KBS-3 repository and repository facility. The report provides input on the initial state of the buffer for the assessment of the long-term safety, SR-Site. The initial state refers to the properties of the engineered barriers once they have been finally placed in the KBS-3 repository and will not be further handled within the repository facility. In addition, the report provides input to the operational safety report, SR-Operation, on how the buffer shall be handled and installed. The report presents the design premises and reference design of the buffer and verifies the conformity of the reference design to the design premises. It also describes the production of the buffer, from excavation and delivery of buffer material to installation in the deposition hole. Finally, the initial state of the buffer and its conformity to the reference design and design premises is presented

  6. Design, production and initial state of the canister

    International Nuclear Information System (INIS)

    Cederqvist, Lars; Johansson, Magnus; Leskinen, Nina; Ronneteg, Ulf

    2010-12-01

    The report is included in a set of Production reports, presenting how the KBS-3 repository is designed, produced and inspected. The set of reports is included in the safety report for the KBS-3 repository and repository facility.The report provides input on the initial state of the canisters to the assessment of the long-term safety, SR-Site. The initial state refers to the properties of the engineered barriers once they have been finally placed in the KBS-3 repository and will not be further handled within the repository facility. In addition, the report provides input to the operational safety report, SR-Operation, on how the canisters shall be handled and disposed. The report presents the design premises and reference design of the canister and verifies the conformity of the reference design to the design premises. The production methods and the ability to produce canisters according to the reference design are described. Finally, the initial state of the canisters and their conformity to the reference design and design premises are presented

  7. Design, production and initial state of the canister

    Energy Technology Data Exchange (ETDEWEB)

    Cederqvist, Lars; Johansson, Magnus; Leskinen, Nina; Ronneteg, Ulf

    2010-12-15

    The report is included in a set of Production reports, presenting how the KBS-3 repository is designed, produced and inspected. The set of reports is included in the safety report for the KBS-3 repository and repository facility.The report provides input on the initial state of the canisters to the assessment of the long-term safety, SR-Site. The initial state refers to the properties of the engineered barriers once they have been finally placed in the KBS-3 repository and will not be further handled within the repository facility. In addition, the report provides input to the operational safety report, SR-Operation, on how the canisters shall be handled and disposed. The report presents the design premises and reference design of the canister and verifies the conformity of the reference design to the design premises. The production methods and the ability to produce canisters according to the reference design are described. Finally, the initial state of the canisters and their conformity to the reference design and design premises are presented

  8. Design, production and initial state of the buffer

    Energy Technology Data Exchange (ETDEWEB)

    Boerjesson, Lennart; Gunnarsson, David; Johannesson, Lars-Erik; Jonsson, Esther

    2010-12-15

    The report is included in a set of Production reports, presenting how the KBS-3 repository is designed, produced and inspected. The set of reports is included in the safety report for the KBS-3 repository and repository facility. The report provides input on the initial state of the buffer for the assessment of the long-term safety, SR-Site. The initial state refers to the properties of the engineered barriers once they have been finally placed in the KBS-3 repository and will not be further handled within the repository facility. In addition, the report provides input to the operational safety report, SR-Operation, on how the buffer shall be handled and installed. The report presents the design premises and reference design of the buffer and verifies the conformity of the reference design to the design premises. It also describes the production of the buffer, from excavation and delivery of buffer material to installation in the deposition hole. Finally, the initial state of the buffer and its conformity to the reference design and design premises is presented

  9. Electromagnetically induced transparency and absorption due to optical and ground-state coherences in 6Li

    International Nuclear Information System (INIS)

    Fuchs, J; Duffy, G J; Rowlands, W J; Lezama, A; Hannaford, P; Akulshin, A M

    2007-01-01

    We present an experimental study of sub-natural width resonances in fluorescence from a collimated beam of 6 Li atoms excited on the D 1 and D 2 lines by a bichromatic laser field. We show that in addition to ground-state Zeeman coherence, coherent population oscillations between ground and excited states contribute to the sub-natural resonances. High-contrast resonances of electromagnetically induced transparency and electromagnetically induced absorption due to both effects, i.e., ground-state Zeeman coherence and coherent population oscillations, are observed

  10. Ground state of the Hubbard model: a variational approach based on the maximum entropy principle

    Energy Technology Data Exchange (ETDEWEB)

    Arrachea, L. (Dept. de Fisica, Univ. Nacional de La Plata (Argentina)); Plastino, A. (Dept. de Fisica, Univ. Nacional de La Plata (Argentina)); Canosa, N. (Physik Dept. der Technischen Univ. Muenchen, Garching (Germany)); Rossignoli, R. (Physik Dept. der Technischen Univ. Muenchen, Garching (Germany))

    1993-05-17

    A variational approach based on maximum entropy considerations is used to approximate the ground state of the Hubbard Hamiltonian. The evaluation of both the ground state energy and the correlation functions is performed with a trial wave function, which is parameterized in terms of a small set of variables associated with the relevant correlation operators of the problem. Results for one-dimensional case are in very good agreement with the exact ones for arbitrary interaction strengths. It is also shown that the method provides us with better evaluations of the ground state energy and correlation functions than those obtained with the Gutzwiller approximation. (orig.)

  11. Ground state of the Hubbard model: a variational approach based on the maximum entropy principle

    Science.gov (United States)

    Arrachea, L.; Canosa, N.; Plastino, A.; Rossignoli, R.

    1993-05-01

    A variational approach based on maximum entropy considerations is used to approximate the ground state of the Hubbard Hamiltonian. The evaluation of both the ground state energy and the correlation functions is performed with a trial wave function, which is parameterized in terms of a small set of variables associated with the relevant correlation operators of the problem. Results for the one-dimensional case are in very good agreement with the exact ones for arbitrary interaction strengths. It is also shown that the method provides us with better evaluations of the ground state energy and correlation functions than those obtained with the Gutzwiller approximation.

  12. Evaluation of ground water quality of Mubi town in Adamawa State ...

    African Journals Online (AJOL)

    The ground water quality of Mubi Town in Mubi North Local Government Area of Adamawa State was studied to examine the suitability or otherwise of their use of the groundwater for drinking and domestic purposes. Ten ground water samples from boreholes and dug wells were randomly collected each during raining ...

  13. Solid state magnetic field sensors for micro unattended ground networks using spin dependent tunneling

    Science.gov (United States)

    Tondra, Mark; Nordman, Catherine A.; Lange, Erik H.; Reed, Daniel; Jander, Albrect; Akou, Seraphin; Daughton, James

    2001-09-01

    Micro Unattended Ground Sensor Networks will likely employ magnetic sensors, primarily for discrimination of objects as opposed to initial detection. These magnetic sensors, then, must fit within very small cost, size, and power budgets to be compatible with the envisioned sensor suites. Also, a high degree of sensitivity is required to minimize the number of sensor cells required to survey a given area in the field. Solid state magnetoresistive sensors, with their low cost, small size, and ease of integration, are excellent candidates for these applications assuming that their power and sensitivity performance are acceptable. SDT devices have been fabricated into prototype magnetic field sensors suitable for use in micro unattended ground sensor networks. They are housed in tiny SOIC 8-pin packages and mounted on a circuit board with required voltage regulation, signal amplification and conditioning, and sensor control and communications functions. The best sensitivity results to date are 289 pT/rt. Hz at 1 Hz, and and 7 pT/rt. Hz at f > 10 kHz. Expected near term improvements in performance would bring these levels to approximately 10 pT/rt Hz at 1 Hz and approximately 1 pT/rt. Hz at > 1 kHz.

  14. Spin waves treatment of the antiferromagnetic ground state of two Ising-like systems

    Directory of Open Access Journals (Sweden)

    Adegoke Kunle

    2014-01-01

    Full Text Available Using Anderson's spin wave theory, we derive expressions for the ground state energy of two Ising-like systems. Antiferromagnetic long range order is predicted for one of the systems.

  15. Bott Periodicity for Z_2 Symmetric Ground States of Gapped Free-Fermion Systems

    Science.gov (United States)

    Kennedy, R.; Zirnbauer, M. R.

    2016-03-01

    Building on the symmetry classification of disordered fermions, we give a proof of the proposal by Kitaev, and others, for a "Bott clock" topological classification of free-fermion ground states of gapped systems with symmetries. Our approach differs from previous ones in that (i) we work in the standard framework of Hermitian quantum mechanics over the complex numbers, (ii) we directly formulate a mathematical model for ground states rather than spectrally flattened Hamiltonians, and (iii) we use homotopy-theoretic tools rather than K-theory. Key to our proof is a natural transformation that squares to the standard Bott map and relates the ground state of a d-dimensional system in symmetry class s to the ground state of a ( d + 1)-dimensional system in symmetry class s + 1. This relation gives a new vantage point on topological insulators and superconductors.

  16. Initial state report for the safety assessment SR-Can

    Energy Technology Data Exchange (ETDEWEB)

    Pers, Karin (ed.) [Kemakta Konsult AB, Stockholm (Sweden)

    2006-10-15

    A comprehensive description of the initial state of the engineered parts of the repository system is one of the main bases for the safety assessment. There is no obvious definition of the time of the initial state. For the engineered part of their repository system, the time of deposition is a natural starting point and the initial state in SR-Can is, therefore, defined as the state at the time of deposition for the engineered barrier system. The initial state of the engineered parts of the repository system is largely obtained from the design specifications of the repository, including allowed tolerances or allowance for deviations. Also the manufacturing, excavation and control methods have to be described in order to adequately discuss and handle hypothetical initial states outside the allowed limits in the design specifications. It should also be noted that many parts of the repository system are as yet not finally designed, there can be many changes in the future. The design and technical solutions presented here are representative of the current stage of development. The repository system is based on the KBS-3 method, in which copper canisters with a cast iron insert containing spent nuclear fuel are surrounded by bentonite clay and deposited at 400-700 m depth in saturated granitic rock. The facility design comprises rock caverns, tunnels, deposition positions etc. Deposition tunnels are linked by tunnels for transport and communication and shafts for ventilation. One ramp and five shafts connect the surface facility to the underground repository. The ramp is used for heavy and bulky transports and the shafts are for utility systems and for transport of excavated rock, backfill and staff. For the purposes of the safety assessment, the engineered parts of the repository system have been sub-divided into a number of components or sub-systems. These are: The fuel, (also including cavities in the canister since strong interactions between the two occur if the

  17. Initial state report for the safety assessment SR-Can

    International Nuclear Information System (INIS)

    Pers, Karin

    2006-10-01

    A comprehensive description of the initial state of the engineered parts of the repository system is one of the main bases for the safety assessment. There is no obvious definition of the time of the initial state. For the engineered part of their repository system, the time of deposition is a natural starting point and the initial state in SR-Can is, therefore, defined as the state at the time of deposition for the engineered barrier system. The initial state of the engineered parts of the repository system is largely obtained from the design specifications of the repository, including allowed tolerances or allowance for deviations. Also the manufacturing, excavation and control methods have to be described in order to adequately discuss and handle hypothetical initial states outside the allowed limits in the design specifications. It should also be noted that many parts of the repository system are as yet not finally designed, there can be many changes in the future. The design and technical solutions presented here are representative of the current stage of development. The repository system is based on the KBS-3 method, in which copper canisters with a cast iron insert containing spent nuclear fuel are surrounded by bentonite clay and deposited at 400-700 m depth in saturated granitic rock. The facility design comprises rock caverns, tunnels, deposition positions etc. Deposition tunnels are linked by tunnels for transport and communication and shafts for ventilation. One ramp and five shafts connect the surface facility to the underground repository. The ramp is used for heavy and bulky transports and the shafts are for utility systems and for transport of excavated rock, backfill and staff. For the purposes of the safety assessment, the engineered parts of the repository system have been sub-divided into a number of components or sub-systems. These are: The fuel, (also including cavities in the canister since strong interactions between the two occur if the

  18. Dipole moment of metallocene precatalyst in ground and excited states

    International Nuclear Information System (INIS)

    Lukova, G.V.; Vasil'ev, V.P.; Smirnov, V.A.; Milov, A.A.

    2008-01-01

    Electric dipole momenta of high-emitting metallocene precatalyst, i.e. π-complex of Zr IV (ras-C 6 H 10 (IndH 4 ) 2 ZrCl 2 ) in basic and triplet states in series of diluents have been estimated by the method of spectral shifts and quantum-chemical calculations using the DFT method. The absorption spectra characteristic of charge transfer from the ligand to metal and of zirconocene luminescence depend on the aprotic diluent nature. It is shown that transition from S 0 state to emitting T 1 state entails essential increase in the electric dipole momentum [ru

  19. Pade approximants for the ground-state energy of closed-shell quantum dots

    International Nuclear Information System (INIS)

    Gonzalez, A.; Partoens, B.; Peeters, F.M.

    1997-08-01

    Analytic approximations to the ground-state energy of closed-shell quantum dots (number of electrons from 2 to 210) are presented in the form of two-point Pade approximants. These Pade approximants are constructed from the small- and large-density limits of the energy. We estimated that the maximum error, reached for intermediate densities, is less than ≤ 3%. Within that present approximation the ground-state is found to be unpolarized. (author). 21 refs, 3 figs, 2 tabs

  20. Gauge invariance and photon emission from ground state atoms in the presence of external electromagnetic field

    International Nuclear Information System (INIS)

    Maquet, A.; Rahman, N.K.

    1987-01-01

    The relevance of gauge invariance in considering the question of emission of photons in the presence of external electromagnetic field from the ground state of quantum mechanical systems is studied. With an exact numerical calculation for atomic hydrogen, it is shown that the photons cannot be unequivocally assigned to have been emitted from the ground state due to the invariance of gauge of the probability for the process

  1. Hindcasting to measure ice sheet model sensitivity to initial states

    Directory of Open Access Journals (Sweden)

    A. Aschwanden

    2013-07-01

    Full Text Available Validation is a critical component of model development, yet notoriously challenging in ice sheet modeling. Here we evaluate how an ice sheet system model responds to a given forcing. We show that hindcasting, i.e. forcing a model with known or closely estimated inputs for past events to see how well the output matches observations, is a viable method of assessing model performance. By simulating the recent past of Greenland, and comparing to observations of ice thickness, ice discharge, surface speeds, mass loss and surface elevation changes for validation, we find that the short term model response is strongly influenced by the initial state. We show that the thermal and dynamical states (i.e. the distribution of internal energy and momentum can be misrepresented despite a good agreement with some observations, stressing the importance of using multiple observations. In particular we identify rates of change of spatially dense observations as preferred validation metrics. Hindcasting enables a qualitative assessment of model performance relative to observed rates of change. It thereby reduces the number of admissible initial states more rigorously than validation efforts that do not take advantage of observed rates of change.

  2. Theoretical Grounds of Formation of the Efficient State Economic Policy

    Directory of Open Access Journals (Sweden)

    Semyrak Oksana S.

    2013-12-01

    Full Text Available The article conducts historical and analytical analysis of views on the role of state administration in the sphere of economic relations by various economic directions in order to allocate traditional and newest essential reference points of the modern theory of state regulation of economy. It identifies specific features of modern models of economic policy that envisage setting goals by the state, selection of relevant efficient tools and mathematic function, which would describe dependencies between them. It considers the concept of the basic theory of economic policy of Jan Tinbergen, its advantages and shortcomings. It studies prerequisites and conducts analysis of the modern concept of the role of state in economy as a subject of the market. It considers the modern concept of economic socio-dynamics, pursuant to which the main task of the state is maximisation of social usefulness and permanent improvement of the Pareto-optimal. It considers the “socio-dynamic multiplicator” notion, which envisages availability of three main components: social effect from activity of the state, yearning of individuals for creation of something new and availability of formal and informal institutions that united first two elements.

  3. Creating cat states in one-dimensional quantum walks using delocalized initial states

    International Nuclear Information System (INIS)

    Zhang, Wei-Wei; Gao, Fei; Goyal, Sandeep K; Sanders, Barry C; Simon, Christoph

    2016-01-01

    Cat states are coherent quantum superpositions of macroscopically distinct states and are useful for understanding the boundary between the classical and the quantum world. Due to their macroscopic nature, cat states are difficult to prepare in physical systems. We propose a method to create cat states in one-dimensional quantum walks using delocalized initial states of the walker. Since the quantum walks can be performed on any quantum system, our proposal enables a platform-independent realization of the cat states. We further show that the linear dispersion relation of the effective quantum walk Hamiltonian, which governs the dynamics of the delocalized states, is responsible for the formation of the cat states. We analyze the robustness of these states against environmental interactions and present methods to control and manipulate the cat states in the photonic implementation of quantum walks. (paper)

  4. Number-conserving interacting fermion models with exact topological superconducting ground states

    Science.gov (United States)

    Wang, Zhiyuan; Xu, Youjiang; Pu, Han; Hazzard, Kaden R. A.

    2017-09-01

    We present a method to construct number-conserving Hamiltonians whose ground states exactly reproduce an arbitrarily chosen BCS-type mean-field state. Such parent Hamiltonians can be constructed not only for the usual s -wave BCS state, but also for more exotic states of this form, including the ground states of Kitaev wires and two-dimensional topological superconductors. This method leads to infinite families of locally interacting fermion models with exact topological superconducting ground states. After explaining the general technique, we apply this method to construct two specific classes of models. The first one is a one-dimensional double wire lattice model with Majorana-like degenerate ground states. The second one is a two-dimensional px+i py superconducting model, where we also obtain analytic expressions for topologically degenerate ground states in the presence of vortices. Our models may provide a deeper conceptual understanding of how Majorana zero modes could emerge in condensed matter systems, as well as inspire novel routes to realize them in experiment.

  5. Relativistic configuration interaction calculation on the ground and excited states of iridium monoxide

    International Nuclear Information System (INIS)

    Suo, Bingbing; Yu, Yan-Mei; Han, Huixian

    2015-01-01

    We present the fully relativistic multi-reference configuration interaction calculations of the ground and low-lying excited electronic states of IrO for individual spin-orbit component. The lowest-lying state is calculated for Ω = 1/2, 3/2, 5/2, and 7/2 in order to clarify the ground state of IrO. Our calculation suggests that the ground state is of Ω = 1/2, which is highly mixed with 4 Σ − and 2 Π states in Λ − S notation. The two low-lying states 5/2 and 7/2 are nearly degenerate with the ground state and locate only 234 and 260 cm −1 above, respectively. The equilibrium bond length 1.712 Å and the harmonic vibrational frequency 903 cm −1 of the 5/2 state are close to the experimental measurement of 1.724 Å and 909 cm −1 , which suggests that the 5/2 state should be the low-lying state that contributes to the experimental spectra. Moreover, the electronic states that give rise to the observed transition bands are assigned for Ω = 5/2 and 7/2 in terms of the obtained excited energies and oscillator strengths

  6. Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes.

    Science.gov (United States)

    Fayet, Guillaume; Jacquemin, Denis; Wathelet, Valérie; Perpète, Eric A; Rotureau, Patricia; Adamo, Carlo

    2010-02-26

    This work presents a quantitative structure-property relationship (QSPR)-based approach allowing an accurate prediction of the excited-state properties of organic dyes (anthraquinones and azobenzenes) from ground-state molecular descriptors, obtained within the (conceptual) density functional theory (DFT) framework. The ab initio computation of the descriptors was achieved at several levels of theory, so that the influence of the basis set size as well as of the modeling of environmental effects could be statistically quantified. It turns out that, for the entire data set, a statistically-robust four-variable multiple linear regression based on PCM-PBE0/6-31G calculations delivers a R(adj)(2) of 0.93 associated to predictive errors allowing for rapid and efficient dye design. All the selected descriptors are independent of the dye's family, an advantage over previously designed QSPR schemes. On top of that, the obtained accuracy is comparable to the one of the today's reference methods while exceeding the one of hardness-based fittings. QSPR relationships specific to both families of dyes have also been built up. This work paves the way towards reliable and computationally affordable color design for organic dyes. Copyright 2009 Elsevier Inc. All rights reserved.

  7. Initial-state parton shower kinematics for NLO event generators

    International Nuclear Information System (INIS)

    Odaka, Shigeru; Kurihara, Yoshimasa

    2007-01-01

    We are developing a consistent method to combine tree-level event generators for hadron collision interactions with those including one additional QCD radiation from the initial-state partons, based on the limited leading-log (LLL) subtraction method, aiming at an application to NLO event generators. In this method, a boundary between non-radiative and radiative processes necessarily appears at the factorization scale (μ F ). The radiation effects are simulated using a parton shower (PS) in non-radiative processes. It is therefore crucial in our method to apply a PS which well reproduces the radiation activities evaluated from the matrix-element (ME) calculations for radiative processes. The PS activity depends on the applied kinematics model. In this paper we introduce two models for our simple initial-state leading-log PS: a model similar to the 'old' PYTHIA-PS and a p T -prefixed model motivated by ME calculations. PS simulations employing these models are tested using W-boson production at LHC as an example. Both simulations show a smooth matching to the LLL subtracted W+1 jet simulation in the p T distribution of W bosons, and the summed p T spectra are stable against a variation of μ F , despite that the p T -prefixed PS results in an apparently harder p T spectrum. (orig.)

  8. Ground state magnetic properties of Fe nanoislands on Cu(111)

    International Nuclear Information System (INIS)

    Kishi, Tomoya; David, Melanie; Nakanishi, Hiroshi; Kasai, Hideaki; Dino, Wilson Agerico; Komori, Fumio

    2005-01-01

    We investigate magnetic properties of Fe nanoislands on Cu(111) in the relaxed structure within the density functional theory. We observe that the nanoislands exhibit the ferromagnetic properties with large magnetic moment. We find that the change in the magnetic moment of each Fe atom is induced by deposition on Cu(111) and structure relaxation of Fe nanoislands. Moreover, we examine the stability of ferromagnetic states of Fe nanoislands by performing the total energy calculations. (author)

  9. Coexisting Kondo singlet state with antiferromagnetic long-range order: A possible ground state for Kondo insulators

    International Nuclear Information System (INIS)

    Zhang Guangming; Yu Lu

    2000-04-01

    The ground-state phase diagram of a half-filled anisotropic Kondo lattice model is calculated within a mean-field theory. For small transverse exchange coupling J perpendicular perpendicular c1 , the ground state shows an antiferromagnetic long-range order with finite staggered magnetizations of both localized spins and conduction electrons. When J perpendicular > J perpendicular c2 , the long-range order is destroyed and the system is in a disordered Kondo singlet state with a hybridization gap. Both ground states can describe the low-temperature phases of Kondo insulating compounds. Between these two distinct phases, there may be a coexistent regime as a result of the balance between local Kondo screening and magnetic interactions. (author)

  10. Degenerate ground states and multiple bifurcations in a two-dimensional q-state quantum Potts model.

    Science.gov (United States)

    Dai, Yan-Wei; Cho, Sam Young; Batchelor, Murray T; Zhou, Huan-Qiang

    2014-06-01

    We numerically investigate the two-dimensional q-state quantum Potts model on the infinite square lattice by using the infinite projected entangled-pair state (iPEPS) algorithm. We show that the quantum fidelity, defined as an overlap measurement between an arbitrary reference state and the iPEPS ground state of the system, can detect q-fold degenerate ground states for the Z_{q} broken-symmetry phase. Accordingly, a multiple bifurcation of the quantum ground-state fidelity is shown to occur as the transverse magnetic field varies from the symmetry phase to the broken-symmetry phase, which means that a multiple-bifurcation point corresponds to a critical point. A (dis)continuous behavior of quantum fidelity at phase transition points characterizes a (dis)continuous phase transition. Similar to the characteristic behavior of the quantum fidelity, the magnetizations, as order parameters, obtained from the degenerate ground states exhibit multiple bifurcation at critical points. Each order parameter is also explicitly demonstrated to transform under the Z_{q} subgroup of the symmetry group of the Hamiltonian. We find that the q-state quantum Potts model on the square lattice undergoes a discontinuous (first-order) phase transition for q=3 and q=4 and a continuous phase transition for q=2 (the two-dimensional quantum transverse Ising model).

  11. Actively evolving subglacial conduits and eskers initiate ice shelf channels at an Antarctic grounding line

    Science.gov (United States)

    Drews, R.; Pattyn, F.; Hewitt, I. J.; Ng, F. S. L.; Berger, S.; Matsuoka, K.; Helm, V.; Bergeot, N.; Favier, L.; Neckel, N.

    2017-05-01

    Ice-shelf channels are long curvilinear tracts of thin ice found on Antarctic ice shelves. Many of them originate near the grounding line, but their formation mechanisms remain poorly understood. Here we use ice-penetrating radar data from Roi Baudouin Ice Shelf, East Antarctica, to infer that the morphology of several ice-shelf channels is seeded upstream of the grounding line by large basal obstacles indenting the ice from below. We interpret each obstacle as an esker ridge formed from sediments deposited by subglacial water conduits, and calculate that the eskers' size grows towards the grounding line where deposition rates are maximum. Relict features on the shelf indicate that these linked systems of subglacial conduits and ice-shelf channels have been changing over the past few centuries. Because ice-shelf channels are loci where intense melting occurs to thin an ice shelf, these findings expose a novel link between subglacial drainage, sedimentation and ice-shelf stability.

  12. Actively evolving subglacial conduits and eskers initiate ice shelf channels at an Antarctic grounding line.

    Science.gov (United States)

    Drews, R; Pattyn, F; Hewitt, I J; Ng, F S L; Berger, S; Matsuoka, K; Helm, V; Bergeot, N; Favier, L; Neckel, N

    2017-05-09

    Ice-shelf channels are long curvilinear tracts of thin ice found on Antarctic ice shelves. Many of them originate near the grounding line, but their formation mechanisms remain poorly understood. Here we use ice-penetrating radar data from Roi Baudouin Ice Shelf, East Antarctica, to infer that the morphology of several ice-shelf channels is seeded upstream of the grounding line by large basal obstacles indenting the ice from below. We interpret each obstacle as an esker ridge formed from sediments deposited by subglacial water conduits, and calculate that the eskers' size grows towards the grounding line where deposition rates are maximum. Relict features on the shelf indicate that these linked systems of subglacial conduits and ice-shelf channels have been changing over the past few centuries. Because ice-shelf channels are loci where intense melting occurs to thin an ice shelf, these findings expose a novel link between subglacial drainage, sedimentation and ice-shelf stability.

  13. Exponentially Biased Ground-State Sampling of Quantum Annealing Machines with Transverse-Field Driving Hamiltonians.

    Science.gov (United States)

    Mandrà, Salvatore; Zhu, Zheng; Katzgraber, Helmut G

    2017-02-17

    We study the performance of the D-Wave 2X quantum annealing machine on systems with well-controlled ground-state degeneracy. While obtaining the ground state of a spin-glass benchmark instance represents a difficult task, the gold standard for any optimization algorithm or machine is to sample all solutions that minimize the Hamiltonian with more or less equal probability. Our results show that while naive transverse-field quantum annealing on the D-Wave 2X device can find the ground-state energy of the problems, it is not well suited in identifying all degenerate ground-state configurations associated with a particular instance. Even worse, some states are exponentially suppressed, in agreement with previous studies on toy model problems [New J. Phys. 11, 073021 (2009)NJOPFM1367-263010.1088/1367-2630/11/7/073021]. These results suggest that more complex driving Hamiltonians are needed in future quantum annealing machines to ensure a fair sampling of the ground-state manifold.

  14. A state-wide obstetric hemorrhage quality improvement initiative.

    Science.gov (United States)

    Bingham, Debra; Lyndon, Audrey; Lagrew, David; Main, Elliott K

    2011-01-01

    The mission of the California Maternal Quality Care Collaborative is to eliminate preventable maternal death and injury and to promote equitable maternity care in California. This article describes California Maternal Quality Care Collaborative's (CMQCC's) statewide multistakeholder quality improvement initiative to improve readiness, recognition, response, and reporting of maternal hemorrhage at birth and details the essential role of nurses in its success. In partnership with the State Department of Maternal, Child, and Adolescent Health, CMQCC identified maternal hemorrhage as a significant quality improvement opportunity. CMQCC organized a multidisciplinary, multistakeholder task force to develop a strategy for addressing obstetric (OB) hemorrhage. The OB Hemorrhage Task Force, co-chaired by nurse and physician team leaders, identified four priorities for action and developed a comprehensive hemorrhage guideline. CMQCC is using a multilevel strategy to disseminate the guideline, including an open access toolkit, a minimal support-mentoring model, a county partnership model, and a 30-hospital learning collaborative. In participating hospitals, nurses have been the primary drivers in developing both general and massive hemorrhage policies and procedures, ensuring the availability of critical supplies, organizing team debriefing after a stage 2 (or greater) hemorrhage, hosting skills stations for measuring blood loss, and running obstetric (OB) hemorrhage drills. Each of these activities requires effort and leadership skill, even in hospitals where clinicians are convinced that these changes are needed. In some hospitals, the burden to convince physicians of the value of these new practices has rested primarily upon nurses. Thus, the statewide initiative in which nurse and physician leaders work together models the value of teamwork and provides a real-time demonstration of the potential for effective interdisciplinary collaboration to make a difference in the

  15. Canonical ensemble ground state and correlation entropy of Bose-Einstein condensate

    Science.gov (United States)

    Svidzinsky, Anatoly; Kim, Moochan; Agarwal, Girish; Scully, Marlan O.

    2018-01-01

    Constraint of a fixed total number of particles yields a correlation between the fluctuation of particles in different states in the canonical ensemble. Here we show that, below the temperature of Bose-Einstein condensation (BEC), the correlation part of the entropy of an ideal Bose gas is cancelled by the ground-state contribution. Thus, in the BEC region, the thermodynamic properties of the gas in the canonical ensemble can be described accurately in a simplified model which excludes the ground state and assumes no correlation between excited levels.

  16. Learning Approach on the Ground State Energy Calculation of Helium Atom

    Science.gov (United States)

    Shah, Syed Naseem Hussain

    2010-07-01

    This research investigated the role of learning approach on the ground state energy calculation of Helium atom in improving the concepts of science teachers at university level. As the exact solution of several particles is not possible here we used approximation methods. Using this method one can understand easily the calculation of ground state energy of any given function. Variation Method is one of the most useful approximation methods in estimating the energy eigen values of the ground state and the first few excited states of a system, which we only have a qualitative idea about the wave function. The objective of this approach is to introduce and involve university teacher in new research, to improve their class room practices and to enable teachers to foster critical thinking in students.

  17. Learning Approach on the Ground State Energy Calculation of Helium Atom

    International Nuclear Information System (INIS)

    Shah, Syed Naseem Hussain

    2010-01-01

    This research investigated the role of learning approach on the ground state energy calculation of Helium atom in improving the concepts of science teachers at university level. As the exact solution of several particles is not possible here we used approximation methods. Using this method one can understand easily the calculation of ground state energy of any given function. Variation Method is one of the most useful approximation methods in estimating the energy eigen values of the ground state and the first few excited states of a system, which we only have a qualitative idea about the wave function.The objective of this approach is to introduce and involve university teacher in new research, to improve their class room practices and to enable teachers to foster critical thinking in students.

  18. Maximum-entropy approach to critical phenomena in ground states of finite systems

    Science.gov (United States)

    Arrachea, L.; Canosa, N.; Plastino, A.; Portesi, M.; Rossignoli, R.

    1992-05-01

    A scheme for detecting signatures of phase transitions associated with pure quantum states, from the knowledge of a limited set of expectation values, is introduced. An accurate prediction of critical regions in ground states of systems with a finite number of particles is obtained.

  19. Interactions Between Ground-State Nitrogen Atoms and Molecules

    Science.gov (United States)

    Vanderslice, Joseph T.; Mason, Edward A.; Lippincott, Ellis R.

    1959-01-01

    Potential-energy curves for nitrogen atom (N-N) interactions corresponding to the X (1)Sigma(sup +, sub g), A (3)Sigma(sup +, sub u), (5)Sigma(sup +, sub g), (7)Sigma(sup +, sub u), B (3) Pi(sub g), C (3)(Pi(su u)and a (1)Pi(sub g) states of the nitrogen molecule N2 as well as curves for the atom-molecules (N-N2) and molecule-molecule (N2-N2) interactions have been calculated. All calculations have been based as nearly as possible on experimental data, including spectroscopically determined vibrational energy levels, scattering cross sections of atomic beams in gases, and measured vibrational relaxation times. In cases where experimental data were not available, approximate quantum-mechanical calculations have been made. Results obtained by these various methods are remarkably consistent with one another and are believed to have good accuracy.

  20. Origin of the Tetragonal Ground State of Heusler Compounds

    Science.gov (United States)

    Faleev, Sergey V.; Ferrante, Yari; Jeong, Jaewoo; Samant, Mahesh G.; Jones, Barbara; Parkin, Stuart S. P.

    2017-03-01

    We describe the general mechanism of tetragonal distortion in Heusler compounds X2Y Z . From 286 compounds studied using density-functional theory, 62% are found to be tetragonal at zero temperature. Such a large share of compounds with tetragonal distortions can be explained by the peak-and-valley character of the density of states (DOS) of these compounds in the cubic phase (arising from localized d bands and van Hove singularities) in conjunction with a smooth shift of peaky DOS structure relative to the Fermi energy, EF, when valence electrons are added to the system. A shift of the DOS in the Y or Z series leads to an alternation of stable and nonstable cubic phases that depends on the value of the DOS at EF in the cubic phase. Groups of compounds with a large share of tetragonal distortions are identified and explained.

  1. Optimised effective potential for ground states, excited states, and time-dependent phenomena

    International Nuclear Information System (INIS)

    Gross, E.K.U.

    1996-01-01

    (1) The optimized effective potential method is a variant of the traditional Kohn-Sham scheme. In this variant, the exchange-correlation energy E xc is an explicit functional of single-particle orbitals. The exchange-correlation potential, given as usual by the functional derivative v xc = δE xc /δρ, then satisfies as integral equation involving the single-particle orbitals. This integral equation in solved semi-analytically using a scheme recently proposed by Krieger, Li and Iafrate. If the exact (Fock) exchange-energy functional is employed together with the Colle-Salvetti orbital functional for the correlation energy, the mean absolute deviation of the resulting ground-state energies from the exact nonrelativistic values is CT mH for the first-row atoms, as compared to 4.5 mH in a state-of-the-art CI calculation. The proposed scheme is thus significantly more accurate than the conventional Kohn-Sham method while the numerical effort involved is about the same as for an ordinary Hanree-Fock calculation. (2) A time-dependent generalization of the optimized-potential method is presented and applied to the linear-response regime. Since time-dependent density functional theory leads to a formally exact representation of the frequency-dependent linear density response and since the latter, as a function of frequency, has poles at the excitation energies of the fully interacting system, the formalism is suitable for the calculation of excitation energies. A simple additive correction to the Kohn-Sham single-particle excitation energies will be deduced and first results for atomic and molecular singlet and triplet excitation energies will be presented. (3) Beyond the regime of linear response, the time-dependent optimized-potential method is employed to describe atoms in strong emtosecond laser pulses. Ionization yields and harmonic spectra will be presented and compared with experimental data

  2. Ground Water Atlas of the United States: Introduction and national summary

    Science.gov (United States)

    Miller, James A.

    1999-01-01

    The Ground Water Atlas of the United States provides a summary of the most important information available for each principal aquifer, or rock unit that will yield usable quantities of water to wells, throughout the 50 States, Puerto Rico, and the U.S. Virgin Islands. The Atlas is an outgrowth of the Regional Aquifer-System Analysis (RASA) program of the U.S. Geological Survey (USGS), a program that investigated 24 of the most important aquifers and aquifer systems of the Nation and one in the Caribbean Islands (fig. 1). The objectives of the RASA program were to define the geologic and hydrologic frameworks of each aquifer system, to assess the geochemistry of the water in the system, to characterize the ground-water flow system, and to describe the effects of development on the flow system. Although the RASA studies did not cover the entire Nation, they compiled much of the data needed to make the National assessments of ground-water resources presented in the Ground Water Atlas of the United States. The Atlas, however, describes the location, extent, and geologic and hydrologic characteristics of all the important aquifers in the United States, including those not studied by the RASA program. The Atlas is written so that it can be understood by readers who are not hydrologists. Simple language is used to explain technical terms. The principles that control the presence, movement, and chemical quality of ground water in different climatic, topographic, and geologic settings are clearly illustrated. The Atlas is, therefore, useful as a teaching tool for introductory courses in hydrology or hydrogeology at the college level and as an overview of ground-water conditions for consultants who need information about an individual aquifer. It also serves as an introduction to regional and National ground-water resources for lawmakers, personnel of local, State, or Federal agencies, or anyone who needs to understand ground-water occurrence, movement, and quality. The

  3. Ground water share in supplying domestic water in Khartoum state

    International Nuclear Information System (INIS)

    Mohammed, M. E. A.

    2010-10-01

    In this research study of the sources of groundwater from wells and stations that rely on the national authority for urban water in the state of Khartoum, this study includes three areas, namely the Khartoum area, North Khartoum and Omdurman area. This research evaluate and identify the sources of groundwater from wells and stations and find out the productivity of wells and underground stations. The study period were identified from 2004 to 2008 during this commoners were Alabaralgeoffip Knowledge Production and stations from the water. The methods used in this study was to determine the sources of groundwater from wells and stations in the three areas with the knowledge of the percentage in each year and the total amount of water produced from wells and stations in Khartoum, North Khartoum and Omdurman it is clear from this study that the percentage of productivity in the annual increase to varying degrees in floater from 2004 to 2008 and also clear that the Omdurman area depends on groundwater wells over a maritime area of stations based on stations with more and more consumption of Khartoum and the sea. Also been identified on the tank top and bottom of the tank where the chemical properties and physical properties after the identification of these qualities and characteristics have been identified the quantity and quality of water produced from wells and stations. (Author)

  4. Modeling of the stress-strain state of the ground mass contaminated with peracetic acid

    Directory of Open Access Journals (Sweden)

    Levenko Anna

    2017-01-01

    Full Text Available None of the methods described previously provides a solution to the problem that deals with the SSS evaluation of the ground mass which is under the influence of chemically active substances and, in particular, under the influence of peracetic acid. The stress-strain state of the ground mass contaminated with peracetic acid was estimated. Stresses occurring in the ground mass in the natural state were determined after the entry of acid into it and after the chemical fixation of it with sodium silicate. All the parameters of the stress-strain state of the ground mass were obtained under a number of physical and mechanical conditions. It was determined that following the work on the silicatization of the ground mass contaminated with peracetic acid the quantity of strain decreased by 26.11 to 48.9%. The comparison of the results of stress calculations indicates the stress reduction in the ground mass in 1.8 – 2.6 times after its fixing.

  5. Structural Distortion Stabilizing the Antiferromagnetic and Semiconducting Ground State of BaMn2As2

    Directory of Open Access Journals (Sweden)

    Ekkehard Krüger

    2016-09-01

    Full Text Available We report evidence that the experimentally found antiferromagnetic structure as well as the semiconducting ground state of BaMn 2 As 2 are caused by optimally-localized Wannier states of special symmetry existing at the Fermi level of BaMn 2 As 2 . In addition, we find that a (small tetragonal distortion of the crystal is required to stabilize the antiferromagnetic semiconducting state. To our knowledge, this distortion has not yet been established experimentally.

  6. Van der Waals potential and vibrational energy levels of the ground state radon dimer

    Science.gov (United States)

    Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei

    2017-08-01

    In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10/C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.

  7. Non-degenerated Ground States and Low-degenerated Excited States in the Antiferromagnetic Ising Model on Triangulations

    Science.gov (United States)

    Jiménez, Andrea

    2014-02-01

    We study the unexpected asymptotic behavior of the degeneracy of the first few energy levels in the antiferromagnetic Ising model on triangulations of closed Riemann surfaces. There are strong mathematical and physical reasons to expect that the number of ground states (i.e., degeneracy) of the antiferromagnetic Ising model on the triangulations of a fixed closed Riemann surface is exponential in the number of vertices. In the set of plane triangulations, the degeneracy equals the number of perfect matchings of the geometric duals, and thus it is exponential by a recent result of Chudnovsky and Seymour. From the physics point of view, antiferromagnetic triangulations are geometrically frustrated systems, and in such systems exponential degeneracy is predicted. We present results that contradict these predictions. We prove that for each closed Riemann surface S of positive genus, there are sequences of triangulations of S with exactly one ground state. One possible explanation of this phenomenon is that exponential degeneracy would be found in the excited states with energy close to the ground state energy. However, as our second result, we show the existence of a sequence of triangulations of a closed Riemann surface of genus 10 with exactly one ground state such that the degeneracy of each of the 1st, 2nd, 3rd and 4th excited energy levels belongs to O( n), O( n 2), O( n 3) and O( n 4), respectively.

  8. Electronic excitation of ground state atoms by collision with heavy gas particles

    Science.gov (United States)

    Hansen, C. Frederick

    1993-01-01

    point where the initial and final potentials cross, or at least come very close. Therefore, this mechanism would be applicable to the case where a gas is initially at very low temperature suddenly subjected to high energy heavy particle bombardment. This situation would model the measurement of excitation cross section by molecular beam techniques, for example. The purpose is to report values of cross sections and rate coefficients for collision excitation of ground state atoms estimated with the Landau-Zener transition theory and to compare results with measurement of excitation cross sections for a beam of Hydrogen atoms impacting Argon atom targets. Some very dubious approximations are used, and the comparison with measurement is found less than ideal, but results are at least consistent within order of magnitude. The same model is then applied to the case of N-N atom collisions, even though the approximations then become even more doubtful. Still the rate coefficients obtained are at least plausible in both magnitude and functional form, and as far as I am aware these are the only estimates available for such rate coefficients.

  9. Study of the Ground-State Geometry of Silicon Clusters Using Artificial Neural Networks

    Directory of Open Access Journals (Sweden)

    M.R. Lemes

    2002-09-01

    Full Text Available Theoretical determination of the ground-state geometry of Si clusters is a difficult task. As the number of local minima grows exponentially with the number of atoms, to find the global minimum is a real challenge. One may start the search procedure from a random distribution of atoms but it is probably wiser to make use of any available information to restrict the search space. Here, we introduce a new approach, the Assisted Genetic Optimization (AGO that couples an Artificial Neural Network (ANN to a Genetic Algorithm (GA. Using available information on small Silicon clusters, we trained an ANN to predict good starting points (initial population for the GA. AGO is applied to Si10 and Si20 and compared to pure GA. Our results indicate: i AGO is, at least, 5 times faster than pure GA in our test case; ii ANN training can be made very fast and successfully plays the role of an experienced investigator; iii AGO can easily be adapted to other optimization problems.

  10. Hydrogen-like spectrum of spontaneously created brane universes with de-Sitter ground state

    Science.gov (United States)

    Davidson, Aharon

    2018-05-01

    Unification of Randall-Sundrum and Regge-Teitelboim brane cosmologies gives birth to a serendipitous Higgs-deSitter interplay. A localized Dvali-Gabadadze-Porrati scalar field, governed by a particular (analytically derived) double-well quartic potential, becomes a mandatory ingredient for supporting a deSitter brane universe. When upgraded to a general Higgs potential, the brane surface tension gets quantized, resembling a Hydrogen atom spectrum, with deSitter universe serving as the ground state. This reflects the local/global structure of the Euclidean manifold: From finite energy density no-boundary initial conditions, via a novel acceleration divide filter, to exact matching conditions at the exclusive nucleation point. Imaginary time periodicity comes as a bonus, with the associated Hawking temperature vanishing at the continuum limit. Upon spontaneous creation, while a finite number of levels describe universes dominated by a residual dark energy combined with damped matter oscillations, an infinite tower of excited levels undergo a Big Crunch.

  11. Machine learning technique to find quantum many-body ground states of bosons on a lattice

    OpenAIRE

    Saito, Hiroki; Kato, Masaya

    2017-01-01

    We develop a variational method to obtain many-body ground states of the Bose-Hubbard model using feedforward artificial neural networks. A fully-connected network with a single hidden layer works better than a fully-connected network with multiple hidden layers, and a multi-layer convolutional network is more efficient than a fully-connected network. AdaGrad and Adam are optimization methods that work well. Moreover, we show that many-body ground states with different numbers of atoms can be...

  12. Theoretical investigation of the ground and excited state of silylated coumarin

    International Nuclear Information System (INIS)

    Abbas, Haider; Jain, V.K.

    2011-01-01

    We present ground and excited state properties of silylated coumarin dyes. We have calculated the energies and dipole moments of ground and excited states of silylated coumarins and some coumarin derivatives. Using CIS we find a good agreement with experimental S 0 →S 1 excitation energies. Silylation of dye molecules had minor effect on the transition energies. On the basis of theoretical results, we conclude that silylated dye will have improved long-term photostability compared to its unsilylated counterpart due to its covalent bonding with the host matrix. - Highlights: → Theoretical calculation of silylated coumarins. → Improved photostability. → Dye and sol gel silica interaction.

  13. Ground State of Bosons in Bose-Fermi Mixture with Spin-Orbit Coupling

    Science.gov (United States)

    Sakamoto, Ryohei; Ono, Yosuke; Hatsuda, Rei; Shiina, Kenta; Arahata, Emiko; Mori, Hiroyuki

    2017-07-01

    We study an effect of spin-1/2 fermions on the ground state of a Bose system with equal Rashba and Dresselhaus spin-orbit coupling. By using mean-field and tight-binding approximations, we show the ground state phase diagram of the Bose system in the spin-orbit coupled Bose-Fermi mixture and find that the characteristic phase domain, where a spin current of fermions may be induced, can exist even in the presence of a significantly large number of fermions.

  14. The ground-state phase diagrams of the spin-3/2 Ising model

    International Nuclear Information System (INIS)

    Canko, Osman; Keskin, Mustafa

    2003-01-01

    The ground-state spin configurations are obtained for the spin-3/2 Ising model Hamiltonian with bilinear and biquadratic exchange interactions and a single-ion crystal field. The interactions are assumed to be only between nearest-neighbors. The calculated ground-state phase diagrams are presented on diatomic lattices, such as the square, honeycomb and sc lattices, and triangular lattice in the (Δ/z vertical bar J vertical bar ,K/ vertical bar J vertical bar) and (H/z vertical bar J vertical bar, K/ vertical bar J vertical bar) planes

  15. Stability of the electroweak ground state in the Standard Model and its extensions

    International Nuclear Information System (INIS)

    Di Luzio, Luca; Isidori, Gino; Ridolfi, Giovanni

    2016-01-01

    We review the formalism by which the tunnelling probability of an unstable ground state can be computed in quantum field theory, with special reference to the Standard Model of electroweak interactions. We describe in some detail the approximations implicitly adopted in such calculation. Particular attention is devoted to the role of scale invariance, and to the different implications of scale-invariance violations due to quantum effects and possible new degrees of freedom. We show that new interactions characterized by a new energy scale, close to the Planck mass, do not invalidate the main conclusions about the stability of the Standard Model ground state derived in absence of such terms.

  16. Stability of the electroweak ground state in the Standard Model and its extensions

    Energy Technology Data Exchange (ETDEWEB)

    Di Luzio, Luca, E-mail: diluzio@ge.infn.it [Dipartimento di Fisica, Università di Genova and INFN, Sezione di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Isidori, Gino [Department of Physics, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich (Switzerland); Ridolfi, Giovanni [Dipartimento di Fisica, Università di Genova and INFN, Sezione di Genova, Via Dodecaneso 33, I-16146 Genova (Italy)

    2016-02-10

    We review the formalism by which the tunnelling probability of an unstable ground state can be computed in quantum field theory, with special reference to the Standard Model of electroweak interactions. We describe in some detail the approximations implicitly adopted in such calculation. Particular attention is devoted to the role of scale invariance, and to the different implications of scale-invariance violations due to quantum effects and possible new degrees of freedom. We show that new interactions characterized by a new energy scale, close to the Planck mass, do not invalidate the main conclusions about the stability of the Standard Model ground state derived in absence of such terms.

  17. Stability of the electroweak ground state in the Standard Model and its extensions

    Directory of Open Access Journals (Sweden)

    Luca Di Luzio

    2016-02-01

    Full Text Available We review the formalism by which the tunnelling probability of an unstable ground state can be computed in quantum field theory, with special reference to the Standard Model of electroweak interactions. We describe in some detail the approximations implicitly adopted in such calculation. Particular attention is devoted to the role of scale invariance, and to the different implications of scale-invariance violations due to quantum effects and possible new degrees of freedom. We show that new interactions characterized by a new energy scale, close to the Planck mass, do not invalidate the main conclusions about the stability of the Standard Model ground state derived in absence of such terms.

  18. Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

    Energy Technology Data Exchange (ETDEWEB)

    Borges, L.H.C. [Universidade Federal do ABC, Centro de Ciencias Naturais e Humanas, Santo Andre, SP (Brazil); Barone, F.A. [IFQ-Universidade Federal de Itajuba, Itajuba, MG (Brazil)

    2016-02-15

    Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schroedinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector. (orig.)

  19. Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

    International Nuclear Information System (INIS)

    Borges, L.H.C.; Barone, F.A.

    2016-01-01

    Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schroedinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector. (orig.)

  20. Study of ground-state configuration of neutron-rich aluminium isotopes through electromagnetic excitation

    International Nuclear Information System (INIS)

    Chakraborty, S.; Datta Pramanik, U.; Chatterjee, S.

    2013-01-01

    The region of the nuclear chart around neutron magic number, N∼20 and proton number (Z), 10≤ Z≤12 is known as the Island of Inversion. The valance neutron(s) of these nuclei, even in their ground state, are most likely occupying the upper pf orbitals which are normally lying above sd orbitals, N∼20 shell closure. Nuclei like 34,35 Al are lying at the boundary of this Island of Inversion. Little experimental information about their ground state configuration are available in literature

  1. Machine Learning Technique to Find Quantum Many-Body Ground States of Bosons on a Lattice

    Science.gov (United States)

    Saito, Hiroki; Kato, Masaya

    2018-01-01

    We have developed a variational method to obtain many-body ground states of the Bose-Hubbard model using feedforward artificial neural networks. A fully connected network with a single hidden layer works better than a fully connected network with multiple hidden layers, and a multilayer convolutional network is more efficient than a fully connected network. AdaGrad and Adam are optimization methods that work well. Moreover, we show that many-body ground states with different numbers of particles can be generated by a single network.

  2. v-representability and density functional theory. [for nonrelativistic electrons in nondegenerate ground state

    Science.gov (United States)

    Kohn, W.

    1983-01-01

    It is shown that if n(r) is the discrete density on a lattice (enclosed in a finite box) associated with a nondegenerate ground state in an external potential v(r) (i.e., is 'v-representable'), then the density n(r) + mu(r), with m(r) arbitrary (apart from trivial constraints) and mu small enough, is also associated with a nondegenerate ground state in an external potential v'(r) near v(r); i.e., n(r) + m(r) is also v-representable. Implications for the Hohenberg-Kohn variational principle and the Kohn-Sham equations are discussed.

  3. Ground-state properties of third-row elements with nonlocal density functionals

    International Nuclear Information System (INIS)

    Bagno, P.; Jepsen, O.; Gunnarsson, O.

    1989-01-01

    The cohesive energy, the lattice parameter, and the bulk modulus of third-row elements are calculated using the Langreth-Mehl-Hu (LMH), the Perdew-Wang (PW), and the gradient expansion functionals. The PW functional is found to give somewhat better results than the LMH functional and both are found to typically remove half the errors in the local-spin-density (LSD) approximation, while the gradient expansion gives worse results than the local-density approximation. For Fe both the LMH and PW functionals correctly predict a ferromagnetic bcc ground state, while the LSD approximation and the gradient expansion predict a nonmagnetic fcc ground state

  4. About Geometry and Initial Phase of Cloud-to-Ground Lightning

    OpenAIRE

    Berkopec, Aleš

    2016-01-01

    Cloud-to-ground lightning is the most common among atmospheric discharges. Since electric fields in the vicinity of a thunder-cloud do not exceed 250 kV/m the physical process that triggers the lightning remains unexplained. [1, 2, 3] Recent measurements established a weak correlation between solar wind and incidence of lightning. [4] Here we show, that if an ionized path created by cosmic rays provides a trigger, the distribution of lengths between two successive forking points in a lightnin...

  5. A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates

    International Nuclear Information System (INIS)

    Wang, Hanquan

    2014-01-01

    In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can be computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method

  6. A Rigorous Investigation on the Ground State of the Penson-Kolb Model

    Science.gov (United States)

    Yang, Kai-Hua; Tian, Guang-Shan; Han, Ru-Qi

    2003-05-01

    By using either numerical calculations or analytical methods, such as the bosonization technique, the ground state of the Penson-Kolb model has been previously studied by several groups. Some physicists argued that, as far as the existence of superconductivity in this model is concerned, it is canonically equivalent to the negative-U Hubbard model. However, others did not agree. In the present paper, we shall investigate this model by an independent and rigorous approach. We show that the ground state of the Penson-Kolb model is nondegenerate and has a nonvanishing overlap with the ground state of the negative-U Hubbard model. Furthermore, we also show that the ground states of both the models have the same good quantum numbers and may have superconducting long-range order at the same momentum q = 0. Our results support the equivalence between these models. The project partially supported by the Special Funds for Major State Basic Research Projects (G20000365) and National Natural Science Foundation of China under Grant No. 10174002

  7. Equation of state, initiation, and detonation of pure ammonium nitrate

    Science.gov (United States)

    Robbins, D. L.; Sheffield, S. A.; Dattelbaum, D. M.; Velisavljevic, N.; Stahl, D. B.

    2009-06-01

    Ammonium nitrate (AN) is a widely used fertilizer and mining explosive throughout the world. One of the more common explosives using AN is called ANFO, a mixture of AN prills and fuel oil in a 94:6 ratio by weight. The AN prills are specially made to absorb the fuel oil, forming a mixture that reacts under shock loading through a diffusion-controlled process, resulting in a non-ideal explosive with detonation velocities around 4 km/s. While there are a number of studies on ANFO, there are only a few studies relating to the equation of state (EOS) and detonation properties of pure AN - resulting mainly from studies of accidents that have occurred during transportation of large quantities of AN. We present the results of a series of gas gun-driven plate impact experiments on pressed AN ranging in density from 1.72 to 0.9 g/cm^3. Several of the high density experiments were performed in front surface impact geometry, in which pressed AN disks were built into the projectile front and impacted onto LiF windows. Additional experiments at low density have been done in ``half cell'' multiple magnetic gauge gun experiments. From this work a complete unreacted EOS has been developed, as well as some initiation and detonation information. Additional high pressure x-ray diffraction experiments in diamond anvil cells have provided a static isotherm for AN.

  8. Operational Cloud-to-Ground Lightning Initiation Forecasting Utilizing S-Band Dual-Polarization Radar

    Science.gov (United States)

    2014-03-27

    Kumjian, 2013a; 2013c). 2.6 Dual-Polarization Studies of Lightning Initiation Since the implementation of DP radar, meteorologist and...Course in Cloud Physics. Butterworth- Heinmann Pub. Rinehart, R. E., 2010: Radar for Meteorologists . 5th ed. Rinehart. Rutledge, S. A., and W. A

  9. 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.)

  10. Quantum ground state of self-organized atomic crystals in optical resonators

    Science.gov (United States)

    Fernández-Vidal, Sonia; de Chiara, Gabriele; Larson, Jonas; Morigi, Giovanna

    2010-04-01

    Cold atoms, driven by a laser and simultaneously coupled to the quantum field of an optical resonator, may self-organize in periodic structures. These structures are supported by the optical lattice, which emerges from the laser light they scatter into the cavity mode and form when the laser intensity exceeds a threshold value. We study theoretically the quantum ground state of these structures above the pump threshold of self-organization by mapping the atomic dynamics of the self-organized crystal to a Bose-Hubbard model. We find that the quantum ground state of the self-organized structure can be the one of a Mott insulator, depending on the pump strength of the driving laser. For very large pump strengths, where the intracavity-field intensity is maximum and one would expect a Mott-insulator state, we find intervals of parameters where the phase is compressible. These states could be realized in existing experimental setups.

  11. Electron-impact excitation and ionization cross sections for ground state and excited helium atoms

    International Nuclear Information System (INIS)

    Ralchenko, Yu.; Janev, R.K.; Kato, T.; Fursa, D.V.; Bray, I.; Heer, F.J. de

    2008-01-01

    Comprehensive and critically assessed cross sections for the electron-impact excitation and ionization of ground state and excited helium atoms are presented. All states (atomic terms) with n≤4 are treated individually, while the states with n≥5 are considered degenerate. For the processes involving transitions to and from n≥5 levels, suitable cross section scaling relations are presented. For a large number of transitions, from both ground and excited states, convergent close coupling calculations were performed to achieve a high accuracy of the data. The evaluated/recommended cross section data are presented by analytic fit functions, which preserve the correct asymptotic behavior of the cross sections. The cross sections are also displayed in graphical form

  12. Determination of many-electron basis functions for a quantum Hall ground state using Schur polynomials

    Science.gov (United States)

    Mandal, Sudhansu S.; Mukherjee, Sutirtha; Ray, Koushik

    2018-03-01

    A method for determining the ground state of a planar interacting many-electron system in a magnetic field perpendicular to the plane is described. The ground state wave-function is expressed as a linear combination of a set of basis functions. Given only the flux and the number of electrons describing an incompressible state, we use the combinatorics of partitioning the flux among the electrons to derive the basis wave-functions as linear combinations of Schur polynomials. The procedure ensures that the basis wave-functions form representations of the angular momentum algebra. We exemplify the method by deriving the basis functions for the 5/2 quantum Hall state with a few particles. We find that one of the basis functions is precisely the Moore-Read Pfaffian wave function.

  13. Ground State and Excited State Tuning in Ferric Dipyrrin Complexes Promoted by Ancillary Ligand Exchange

    Energy Technology Data Exchange (ETDEWEB)

    Kleinlein, Claudia; Zheng, Shao-Liang; Betley, Theodore A.

    2017-04-24

    Three ferric dipyrromethene complexes featuring different ancillary ligands were synthesized by one electron oxidation of ferrous precursors. Four-coordinate iron complexes of the type (ArL)FeX2 [ArL = 1,9-(2,4,6-Ph3C6H2)2-5-mesityldipyrromethene] with X = Cl or tBuO were prepared and found to be high-spin (S = 5/2), as determined by superconducting quantum interference device magnetometry, electron paramagnetic resonance, and 57Fe Mössbauer spectroscopy. The ancillary ligand substitution was found to affect both ground state and excited properties of the ferric complexes examined. While each ferric complex displays reversible reduction and oxidation events, each alkoxide for chloride substitution results in a nearly 600 mV cathodic shift of the FeIII/II couple. The oxidation event remains largely unaffected by the ancillary ligand substitution and is likely dipyrrin-centered. While the alkoxide substituted ferric species largely retain the color of their ferrous precursors, characteristic of dipyrrin-based ligand-to-ligand charge transfer (LLCT), the dichloride ferric complex loses the prominent dipyrrin chromophore, taking on a deep green color. Time-dependent density functional theory analyses indicate the weaker-field chloride ligands allow substantial configuration mixing of ligand-to-metal charge transfer into the LLCT bands, giving rise to the color changes observed. Furthermore, the higher degree of covalency between the alkoxide ferric centers is manifest in the observed reactivity. Delocalization of spin density onto the tert-butoxide ligand in (ArL)FeCl(OtBu) is evidenced by hydrogen atom abstraction to yield (ArL)FeCl and HOtBu in the presence of substrates containing weak C–H bonds, whereas the chloride (ArL)FeCl2 analogue does not react under these conditions.

  14. A theoretical study of the MgNC/MgCN isomerization in the electronic ground state

    Czech Academy of Sciences Publication Activity Database

    Bludský, Ota; Špirko, Vladimír; Odaka, T. E.; Jensen, P.; Hirano, T.

    695/696, - (2004), s. 219-226 ISSN 0022-2860 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4055905 Keywords : isomerization * electronic ground state * STIRAP Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.200, year: 2004

  15. Relativistic analysis of nuclear ground state densities at 135 to 200 ...

    Indian Academy of Sciences (India)

    Abstract. A relativistic analysis of p + 40Ca elastic scattering with different nuclear ground state target densities at 135 to 200 MeV is presented in this paper. It is found that the IGO densities are more consistent in reproducing the data over the energy range considered here. The reproduction of spin-rotation-function data ...

  16. Theoretical study on ground-state proton/H-atom exchange in formic ...

    Indian Academy of Sciences (India)

    The ground-state triple proton/H-atom transfer (GSTPT/GSTHAT) reactions in HCOOH complexed cyclically with H₂O, CH₃OH, NH₃ and mixed solvents H₂O-NH₃/CH₃ OH-NH₃ were studied byquantum mechanical methods in heptane. The GSTPT/GSTHAT in HCOOH-(H₂O) ₂, HCOOH-(CH₃OH)₂, ...

  17. Theoretical study of the ground state of (EDO-TTF)(2)PF6

    NARCIS (Netherlands)

    Linker, Gerrit-Jan; van Duijnen, Piet Th.; van Loosdrecht, Paul H.M.; Broer, Ria

    2015-01-01

    In this paper we present a theoretical study of the nature of the ground state of the (EDO-TTF)(2)PF6 charge transfer salt by using ab initio quantum chemical theory for clusters in vacuum, for embedded clusters and for the periodic system. Exemplary for other organic charge transfer systems, we

  18. Search for 12 C+ 12 C clustering in 24 Mg ground state

    Indian Academy of Sciences (India)

    In the backdrop of many models, the heavy cluster structure of the ground state of 24 Mg has been probed experimentally for the first time using the heavy cluster knockout reaction 24 Mg( 12 C, 212 C) 12 C in thequasifree scattering kinematic domain. In the ( 12 C, 212 C) reaction, the direct 12 C-knockout cross-section was ...

  19. Search for 12 C+ 12 C clustering in 24 Mg ground state

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 88; Issue 2. Search for 12C+12C clustering in 24Mg ground state. B N JOSHI ARUN K JAIN D C BISWAS B V JOHN Y K GUPTA L S DANU R P VIND G K PRAJAPATI S MUKHOPADHYAY A SAXENA. Regular Volume 88 Issue 2 February 2017 Article ID 29 ...

  20. Multipole expansion of the retarded interatomic potential energy: induction energy for degenerate ground-state atoms

    NARCIS (Netherlands)

    Michels, M.A.J.; Suttorp, L.G.

    1972-01-01

    The inductive contribution to the retarded interatomic potential energy of two atoms in degenerate ground states is calculated up to all multipole orders on the basis of quantum electrodynamics. The result, which is found to have nonretarded character, is written in such a way as to show the

  1. Lower bounds for the ground states of He-isoelectronic series

    International Nuclear Information System (INIS)

    Fraga, Serafin

    1981-01-01

    A formulation, based on the concept of null local kinetic energy regions, has been developed for the determination of lower bounds for the ground state of a two-electron atom. Numerical results, obtained from Hartree-Fock functions, are presented for the elements He through Kr of the two-electron series

  2. Ground states and formal duality relations in the Gaussian core model

    NARCIS (Netherlands)

    Cohn, H.; Kumar, A.; Schürmann, A.

    2009-01-01

    We study dimensional trends in ground states for soft-matter systems. Specifically, using a high-dimensional version of Parrinello-Rahman dynamics, we investigate the behavior of the Gaussian core model in up to eight dimensions. The results include unexpected geometric structures, with surprising

  3. Theoretical study on ground-state triple proton transfer for formic ...

    Indian Academy of Sciences (India)

    Theoretical study on ground-state proton/H-atom exchange in formic acid clusters through different H-bonded bridges. HUA FANG. Department of Chemistry and Material Science, College of Science, Nanjing Forestry University, Nanjing 210037, People's Republic of China. Email: susanfang20@gmail.com. Contents.

  4. On ground-state wave functions for Sutherland-Calogero Systems in an external field

    International Nuclear Information System (INIS)

    Inozemtsev, V.I.; Meshcheryakov, D.V.

    1984-01-01

    Conditions are considered under which the ground-state wave functions of quantum systems of interacting particles n an external field are factorizable and can be found explicitly. The corresponding classical systems of particles are completely integrable; in the quantum case an extra integral of motion is constructed for a two-particle system

  5. A nonlinear programming approach to lower bounds for the ground-state energy of helium

    International Nuclear Information System (INIS)

    Porras, I.; Feldmann, D.M.; King, F.W.

    1999-01-01

    Lower-bound estimates for the ground-state energy of the helium atom are determined using nonlinear programming techniques. Optimized lower bounds are determined for single-particle, radially correlated, and general correlated wave functions. The local nature of the method employed makes it a very severe test of the accuracy of the wave function

  6. Quantum double-well chain: Ground-state phases and applications to hydrogen-bonded materials

    International Nuclear Information System (INIS)

    Wang, X.; Campbell, D.K.; Gubernatis, J.E.

    1994-01-01

    Extrapolating the results of hybrid quantum Monte Carlo simulations to the zero temperature and infinite-chain-length limits, we calculate the ground-state phase diagram of a system of quantum particles on a chain of harmonically coupled, symmetric, quartic double-well potentials. We show that the ground state of this quantum chain depends on two parameters, formed from the ratios of the three natural energy scales in the problem. As a function of these two parameters, the quantum ground state can exhibit either broken symmetry, in which the expectation values of the particle's coordinate are all nonzero (as would be the case for a classical chain), or restored symmetry, in which the expectation values of the particle's coordinate are all zero (as would be the case for a single quantum particle). In addition to the phase diagram as a function of these two parameters, we calculate the ground-state energy, an order parameter related to the average position of the particle, and the susceptibility associated with this order parameter. Further, we present an approximate analytic estimate of the phase diagram and discuss possible physical applications of our results, emphasizing the behavior of hydrogen halides under pressure

  7. Ground state properties of exotic nuclei in deformed medium mass region

    International Nuclear Information System (INIS)

    Manju; Chatterjee, R.; Singh, Jagjit; Shubhchintak

    2017-01-01

    The dipole moment, size of the nucleus and other ground state properties of deformed nuclei 37 Mg and 31 Ne are presented. Furthermore with this deformed wave function the electric dipole strength distribution for deformed nuclei 37 Mg and 31 Ne is calculated. This will allow us to investigate the two dimensional scaling phenomenon with two parameters: quadrupole deformation and separation energy

  8. Accurate calculation of ground state energies in an analytic Lanczos expansion

    International Nuclear Information System (INIS)

    Witte, N.S.; Hollenberg, L.C.L.

    1996-01-01

    An analysis of a general non-perturbative technique for calculating ground state properties of extensive lattice many-body systems is presented, in order to extract accurate numerical values characterising the ground state spectrum. This technique, the plaquette expansion, employs an expansion about the thermodynamic limit of the coefficients that are generated by the Lanczos process. For the ground state energy this error analysis, using theorems on the error bounds for the Lanczos method and the truncation in the plaquette expansion, allows for an accurate estimate when the approximation is taken to a given order. The 1-dimensional antiferromagnetic Heisenberg model, was analysed and found the best ground state energy density is within 3 x 10 -6 of the exact value, although the systematic error is 10 -5 . Systematic improvement was found for this model with each new order included in the expansion and have not observed any asymptotic tendencies. It was estimated that at equivalent orders of truncation, this method gave far better results than the other moment methods, such as the t-expansion or the connected moment expansion. (authors). 22 refs., 2 tabs., 4 figs

  9. Singlet Ground State Magnetism: III Magnetic Excitons in Antiferromagnetic TbP

    DEFF Research Database (Denmark)

    Knorr, K.; Loidl, A.; Kjems, Jørgen

    1981-01-01

    The dispersion of the lowest magnetic excitations of the singlet ground state system TbP has been studied in the antiferromagnetic phase by inelastic neutron scattering. The magnetic exchange interaction and the magnetic and the rhombohedral molecular fields have been determined....

  10. Ground state structures and properties of Si3Hn (n= 1–6) clusters

    Indian Academy of Sciences (India)

    The ground state structures and properties of Si3H (1 ≤ ≤ 6) clusters have been calculated using Car–Parrinello molecular dynamics with simulated annealing and steepest descent optimization methods. We have studied cohesive energy per particle and first excited electronic level gap of the clusters as a function of ...

  11. On the ground state of quantum graphs with attractive delta-coupling

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Jex, M.

    2012-01-01

    Roč. 376, č. 5 (2012), s. 713-717 ISSN 0375-9601 R&D Projects: GA MŠk LC06002; GA ČR GAP203/11/0701 Institutional support: RVO:61389005 Keywords : quantum graph * attractive delta coupling * ground state Subject RIV: BE - Theoretical Physics Impact factor: 1.766, year: 2012

  12. Soluble and stable heptazethrenebis(dicarboximide) with a singlet open-shell ground state

    KAUST Repository

    Sun, Zhe

    2011-08-10

    A soluble and stable heptazethrene derivative was synthesized and characterized for the first time. This molecule exhibits a singlet biradical character in the ground state, which is the first case among zethrene homologue series. Exceptional stability of this heptazethrenebis(dicarboximide) raises the likelihood of its practical applications in materials science. © 2011 American Chemical Society.

  13. The magnetic structure on the ground state of the equilateral triangular spin tube

    International Nuclear Information System (INIS)

    Matsui, Kazuki; Goto, Takayuki; Manaka, Hirotaka; Miura, Yoko

    2016-01-01

    The ground state of the frustrated equilateral triangular spin tube CsCrF 4 is still hidden behind a veil though NMR spectrum broaden into 2 T at low temperature. In order to investigate the spin structure in an ordered state by 19 F-NMR, we have determined the anisotropic hyperfine coupling tensors for each three fluorine sites in the paramagnetic state. The measurement field was raised up to 10 T to achieve highest resolution. The preliminary analysis using the obtained hyperfine tensors has shown that the archetypal 120°-type structure in ab-plane does not accord with the NMR spectra of ordered state.

  14. The magnetic structure on the ground state of the equilateral triangular spin tube

    Energy Technology Data Exchange (ETDEWEB)

    Matsui, Kazuki, E-mail: k703861@eagle.sophia.ac.jp; Goto, Takayuki [Sophia University, Physics Division (Japan); Manaka, Hirotaka [Kagoshima University, Graduate School of Science and Engineering (Japan); Miura, Yoko [Suzuka National College of Technology (Japan)

    2016-12-15

    The ground state of the frustrated equilateral triangular spin tube CsCrF{sub 4} is still hidden behind a veil though NMR spectrum broaden into 2 T at low temperature. In order to investigate the spin structure in an ordered state by {sup 19}F-NMR, we have determined the anisotropic hyperfine coupling tensors for each three fluorine sites in the paramagnetic state. The measurement field was raised up to 10 T to achieve highest resolution. The preliminary analysis using the obtained hyperfine tensors has shown that the archetypal 120°-type structure in ab-plane does not accord with the NMR spectra of ordered state.

  15. Consumer Satisfaction in Long-Term Care: State Initiatives in Nursing Homes and Assisted Living Facilities

    Science.gov (United States)

    Lowe, Timothy J.; Lucas, Judith A.; Castle, Nicholas G.; Robinson, Joanne P.; Crystal, Stephen

    2003-01-01

    Purpose: We report the results of a survey of state initiatives that measure resident satisfaction in nursing homes and assisted living facilities, and we describe several model programs for legislators and public administrators contemplating the initiation of their own state programs. Design and Methods: Data on state initiatives and programs…

  16. Three-body correlations in the ground-state decay of 26O

    Science.gov (United States)

    Kohley, Z.; Baumann, T.; Christian, G.; DeYoung, P. A.; Finck, J. E.; Frank, N.; Luther, B.; Lunderberg, E.; Jones, M.; Mosby, S.; Smith, J. K.; Spyrou, A.; Thoennessen, M.

    2015-03-01

    Background: Theoretical calculations have shown that the energy and angular correlations in the three-body decay of the two-neutron unbound 26O can provide information on the ground-state wave function, which has been predicted to have a dineutron configuration and 2 n halo structure. Purpose: To use the experimentally measured three-body correlations to gain insight into the properties of 26O , including the decay mechanism and ground-state resonance energy. Method: 26O was produced in a one-proton knockout reaction from 27F and the 24O+n +n decay products were measured using the MoNA-Sweeper setup. The three-body correlations from the 26O ground-state resonance decay were extracted. The experimental results were compared to Monte Carlo simulations in which the resonance energy and decay mechanism were varied. Results: The measured three-body correlations were well reproduced by the Monte Carlo simulations but were not sensitive to the decay mechanism due to the experimental resolutions. However, the three-body correlations were found to be sensitive to the resonance energy of 26O . A 1 σ upper limit of 53 keV was extracted for the ground-state resonance energy of 26O . Conclusions: Future attempts to measure the three-body correlations from the ground-state decay of 26O will be very challenging due to the need for a precise measurement of the 24O momentum at the reaction point in the target.

  17. Ground-state kinetics of bistable redox-active donor-acceptor mechanically interlocked molecules.

    Science.gov (United States)

    Fahrenbach, Albert C; Bruns, Carson J; Li, Hao; Trabolsi, Ali; Coskun, Ali; Stoddart, J Fraser

    2014-02-18

    The ability to design and confer control over the kinetics of theprocesses involved in the mechanisms of artificial molecular machines is at the heart of the challenge to create ones that can carry out useful work on their environment, just as Nature is wont to do. As one of the more promising forerunners of prototypical artificial molecular machines, chemists have developed bistable redox-active donor-acceptor mechanically interlocked molecules (MIMs) over the past couple of decades. These bistable MIMs generally come in the form of [2]rotaxanes, molecular compounds that constitute a ring mechanically interlocked around a dumbbell-shaped component, or [2]catenanes, which are composed of two mechanically interlocked rings. As a result of their interlocked nature, bistable MIMs possess the inherent propensity to express controllable intramolecular, large-amplitude, and reversible motions in response to redox stimuli. In this Account, we rationalize the kinetic behavior in the ground state for a large assortment of these types of bistable MIMs, including both rotaxanes and catenanes. These structures have proven useful in a variety of applications ranging from drug delivery to molecular electronic devices. These bistable donor-acceptor MIMs can switch between two different isomeric states. The favored isomer, known as the ground-state co-conformation (GSCC) is in equilibrium with the less favored metastable state co-conformation (MSCC). The forward (kf) and backward (kb) rate constants associated with this ground-state equilibrium are intimately connected to each other through the ground-state distribution constant, KGS. Knowing the rate constants that govern the kinetics and bring about the equilibration between the MSCC and GSCC, allows researchers to understand the operation of these bistable MIMs in a device setting and apply them toward the construction of artificial molecular machines. The three biggest influences on the ground-state rate constants arise from

  18. Radon concentrations in ground and drinking water in the state of Chihuahua, Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Villalba, L. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico); Colmenero Sujo, L. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico); Instituto Tecnologico de Chihuahua II, Ave. de las Industrias 11101, Chihuahua, Chih. (Mexico); Montero Cabrera, M.E. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico)]. E-mail: elena.montero@cimav.edu.mx; Cano Jimenez, A. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico); Renteria Villalobos, M. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico); Delgado Mendoza, C.J. [Facultad de Ciencias Quimicas, Universidad Autonoma de Chihuahua, Ciudad Universitaria S/N, Chihuahua, Chih. (Mexico); Jurado Tenorio, L.A. [Facultad de Ciencias Quimicas, Universidad Autonoma de Chihuahua, Ciudad Universitaria S/N, Chihuahua, Chih. (Mexico); Davila Rangel, I. [Centro Regional de Estudios Nucleares, Universidad Autonoma de Zacatecas, Cipres 20, Zacatecas, Zac. (Mexico); Herrera Peraza, E.F. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico)

    2005-07-01

    This paper reports {sup 222}Rn concentrations in ground and drinking water of nine cities of Chihuahua State, Mexico. Fifty percent of the 114 sampled wells exhibited {sup 222}Rn concentrations exceeding 11 Bq/L, the maximum contaminant level (MCL) recommended by the USEPA. Furthermore, around 48% (123 samples) of the tap-water samples taken from 255 dwellings showed radon concentrations over the MCL. There is an apparent correlation between total dissolved solids and radon concentration in ground-water. The high levels of {sup 222}Rn found may be entirely attributed to the nature of aquifer rocks.

  19. Radon concentrations in ground and drinking water in the state of Chihuahua, Mexico

    International Nuclear Information System (INIS)

    Villalba, L.; Colmenero Sujo, L.; Montero Cabrera, M.E.; Cano Jimenez, A.; Renteria Villalobos, M.; Delgado Mendoza, C.J.; Jurado Tenorio, L.A.; Davila Rangel, I.; Herrera Peraza, E.F.

    2005-01-01

    This paper reports 222 Rn concentrations in ground and drinking water of nine cities of Chihuahua State, Mexico. Fifty percent of the 114 sampled wells exhibited 222 Rn concentrations exceeding 11 Bq/L, the maximum contaminant level (MCL) recommended by the USEPA. Furthermore, around 48% (123 samples) of the tap-water samples taken from 255 dwellings showed radon concentrations over the MCL. There is an apparent correlation between total dissolved solids and radon concentration in ground-water. The high levels of 222 Rn found may be entirely attributed to the nature of aquifer rocks

  20. Radon concentrations in ground and drinking water in the state of Chihuahua, Mexico.

    Science.gov (United States)

    Villalba, L; Colmenero Sujo, L; Montero Cabrera, M E; Cano Jiménez, A; Rentería Villalobos, M; Delgado Mendoza, C J; Jurado Tenorio, L A; Dávila Rangel, I; Herrera Peraza, E F

    2005-01-01

    This paper reports (222)Rn concentrations in ground and drinking water of nine cities of Chihuahua State, Mexico. Fifty percent of the 114 sampled wells exhibited (222)Rn concentrations exceeding 11Bq/L, the maximum contaminant level (MCL) recommended by the USEPA. Furthermore, around 48% (123 samples) of the tap-water samples taken from 255 dwellings showed radon concentrations over the MCL. There is an apparent correlation between total dissolved solids and radon concentration in ground-water. The high levels of (222)Rn found may be entirely attributed to the nature of aquifer rocks.

  1. Ground state shape and crossing of near spherical and deformed bands in 182Hg

    International Nuclear Information System (INIS)

    Ma, W.C.; Ramayya, A.V.; Hamilton, J.H.; Robinson, S.J.; Barclay, M.E.; Zhao, K.; Cole, J.D.; Zganjar, E.F.; Spejewski, E.H.

    1983-01-01

    The energy levels of 182 Hg have been identified for the first time through comparison of in-beam studies of the reactions 156 154 Gd( 32 S,4n) 184 182 Hg. Levels up to 12 + in 182 Hg were established from γ-γ coincidence and singles measurement. The data establish that the ground state shape is near spherical, and that the ground band is crossed by a well deformed band at 4 + . In contrast to IBA model predictions that the deformed band will rise in energy in 182 Hg compared to 184 Hg, the energies of the deformed levels in 182 Hg continue to drop. 7 references

  2. Normal modes and the Duschinsky mixing of the ground- and excited-state vibrations of the green fluorescent protein chromophore

    Science.gov (United States)

    Gnanasekaran, Ramachandran

    2013-11-01

    Ground- and excited-state vibrational frequencies were calculated for the chromophore of the green fluorescent protein (GFP) using the complete active space self-consistent field (CASSCF) method and detailed normal-mode analyses were carried out for ground and excited states. The mixing of the vibrational modes between the different states was studied by applying the Duschinsky effect by the expressing excited-state normal modes in terms of the ground-state normal modes. It was found that the low-frequency vibrational modes in the vertical excited state play a significant role in structural adjustment.

  3. Ground-state properties and optical excitations of a solvated electron in molten alkali halides

    International Nuclear Information System (INIS)

    Roman, E.; Senatore, G.; Tosi, M.P.; Trieste Univ.

    1983-09-01

    Properties of solvated electrons at high dilution in four molten alkali halides are investigated theoretically. A self-consistent evaluation of the bound ground state of the electron and of the surrounding liquid structure, already developed in a previous paper, is compared with the results of NMR hyperfine shifts and magnetic susceptibility measurements. The absorption bands associated with Franck-Condon 1s→2p and 1s→3p transitions are calculated and compared with the available data of optical absorption, with special emphasis on the detailed analysis by Yuh and Nachtrieb for molten CsCl. An instability of the excited states against ionic relaxation and the origin of a finite lifetime for the ground state are also discussed. Finally, the perturbation induced by the solvated electron in the fundamental absorption of the molten salt is estimated. (author)

  4. Magnetic ground and remanent states of synthetic metamagnets with perpendicular anisotropy

    International Nuclear Information System (INIS)

    Kiselev, N S; Roessler, U K; Bogdanov, A N; Hellwig, O

    2011-01-01

    In this work, we summarize our theoretical results within a phenomenological micromagnetic approach for magnetic ground state and nonequilibrium states as topological magnetic defects in multilayers with strong perpendicular anisotropy and antiferromagnetic (AF) interlayer exchange coupling (IEC), e.g. [Co/Pt(Pd)]/Ru(Ir, NiO). We give detailed analysis of our model together with the most representative results which elucidate common features of such systems. We discuss phase diagrams of the magnetic ground state, and compare solutions of our model with experimental data. A model to assess the stability of so-called tiger tail patterns is presented. It is found that these modulated topological defect cannot be stabilized by an interplay between magnetostatic and IEC energies only. It is argued that tiger tail patterns arise as nuclei of ferro-stripe structure in AF domain walls and that they are stabilized by domain wall pinning.

  5. Ground-state properties of K-isotopes from laser and $\\beta$-NMR spectroscopy

    CERN Multimedia

    Lievens, P; Rajabali, M M; Krieger, A R

    By combining high-resolution laser spectroscopy with $\\beta$-NMR spectroscopy on polarized K-beams we aim to establish the ground-state spins and magnetic moments of the neutron-rich $^{48,49,50,51}$K isotopes from N=29 to N=32. Spins and magnetic moments of the odd-K isotopes up to N=28 reveal an inversion of the ground-state, from the normal $\\,{I}$=3/2 ($\\pi{d}_{3/2}^{-1}$) in $^{41-45}$K$\\to\\,{I}$=1/2 ($\\pi{s}_{1/2}^{-1}$) in $^{47}$K. This inversion of the proton single particle levels is related to the strong proton $d_{3/2}$ - neutron $f_{7/2}$ interaction which lowers the energy of the $\\pi{d}_{3/2}$ single particle state when filling the $\

  6. Study of polonium isotopes ground state properties by simultaneous atomic- and nuclear-spectroscopy

    CERN Multimedia

    Koester, U H; Kalaninova, Z; Imai, N

    2007-01-01

    We propose to systematically study the ground state properties of neutron deficient $^{192-200}$Po isotopes by means of in-source laser spectroscopy using the ISOLDE laser ion source coupled with nuclear spectroscopy at the detection setup as successfully done before by this collaboration with neutron deficient lead isotopes. The study of the change in mean square charge radii along the polonium isotope chain will give an insight into shape coexistence above the mid-shell N = 104 and above the closed shell Z = 82. The hyperfine structure of the odd isotopes will also allow determination of the nuclear spin and the magnetic moment of the ground state and of any identifiable isomer state. For this study, a standard UC$_{x}$ target with the ISOLDE RILIS is required for 38 shifts.

  7. 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

  8. Non-Gaussian ground-state deformations near a black-hole singularity

    Science.gov (United States)

    Hofmann, Stefan; Schneider, Marc

    2017-03-01

    The singularity theorem by Hawking and Penrose qualifies Schwarzschild black holes as geodesic incomplete space-times. Albeit this is a mathematically rigorous statement, it requires an operational framework that allows us to probe the spacelike singularity via a measurement process. Any such framework necessarily has to be based on quantum theory. As a consequence, the notion of classical completeness needs to be adapted to situations where the only adequate description is in terms of quantum fields in dynamical space-times. It is shown that Schwarzschild black holes turn out to be complete when probed by self-interacting quantum fields in the ground state and in excited states. The measure for populating quantum fields on hypersurfaces in the vicinity of the black-hole singularity goes to zero towards the singularity. This statement is robust under non-Gaussian deformations of and excitations relative to the ground state. The physical relevance of different completeness concepts for black holes is discussed.

  9. Ground state properties of a spin chain within Heisenberg model with a single lacking spin site

    International Nuclear Information System (INIS)

    Mebrouki, M.

    2011-01-01

    The ground state and first excited state energies of an antiferromagnetic spin-1/2 chain with and without a single lacking spin site are computed using exact diagonalization method, within the Heisenberg model. In order to keep both parts of a spin chain with a lacking site connected, next nearest neighbors interactions are then introduced. Also, the Density Matrix Renormalization Group (DMRG) method is used, to investigate ground state energies of large system sizes; which permits us to inquire about the effect of large system sizes on energies. Other quantum quantities such as fidelity and correlation functions are also studied and compared in both cases. - Research highlights: → In this paper we compute ground state and first excited state energies of a spin chain with and without a lacking spin site. The next nearest neighbors are introduced with the antiferromagnetic Heisenberg spin-half. → Exact diagonalization is used for small systems, where DMRG method is used to compute energies for large systems. Other quantities like quantum fidelity and correlation are also computed. → Results are presented in figures with comments. → E 0 /N is computed in a function of N for several values of J 2 and for both systems. First excited energies are also investigated.

  10. Alpha half-lives of the ground and excited states of heaviest elements

    International Nuclear Information System (INIS)

    Silisteanu, I.; Neacsu, A.; Silisteanu, A.O.; Rizea, M.

    2007-01-01

    The development of the microscopic theory of a decay is reviewed and detailed, formulas applying to heaviest nuclides are presented. A quantitative shell model theory is formulated within the framework of the multichannel resonance scattering approach. Results are presented from new calculations on ground-ground or ground-rotational-band α-decay patterns for heaviest nuclei with Z = 104-118. From a coupled channel analysis of decay rates the spectroscopic information on the nuclear structure of the decaying state is obtained. Particular emphasis is given to the resonance spectroscopy with position-sensitive charge particle detectors, since high-precision calculation of partial widths of narrow resonances have become now available and the resonances near the thresholds can now be observed in experiments. The reliability of the present results is demonstrated through a comparison between the decay data and relevant theories or other approaches. (authors)

  11. Ground-state candidate for the classical dipolar kagome Ising antiferromagnet

    Science.gov (United States)

    Chioar, I. A.; Rougemaille, N.; Canals, B.

    2016-06-01

    We have investigated the low-temperature thermodynamic properties of the classical dipolar kagome Ising antiferromagnet using Monte Carlo simulations, in the quest for the ground-state manifold. In spite of the limitations of a single-spin-flip approach, we managed to identify certain ordering patterns in the low-temperature regime and we propose a candidate for this unknown state. This configuration presents some intriguing features and is fully compatible with the extrapolations of the at-equilibrium thermodynamic behavior sampled so far, making it a very likely choice for the dipolar long-range ordered state of the classical kagome Ising antiferromagnet.

  12. Long-range magnetic fields in the ground state of the Standard Model plasma

    CERN Document Server

    Boyarsky, Alexey; Shaposhnikov, Mikhail

    2012-01-01

    In thermal equilibrium the ground state of the plasma of Standard Model particles is determined by temperature and exactly conserved combinations of baryon and lepton numbers. We show that at non-zero values of the global charges a translation invariant and homogeneous state of the plasma becomes unstable and the system transits into a new state, containing a large-scale magnetic field. The origin of this effect is the parity-breaking character of weak interactions and chiral anomaly. This situation can occur in the early Universe and may play an important role in its subsequent evolution.

  13. Structural instability and ground state of the U{sub 2}Mo compound

    Energy Technology Data Exchange (ETDEWEB)

    Losada, E.L., E-mail: losada@cab.cnea.gov.ar [SIM" 3, Centro Atómico Bariloche, Comisión Nacional de Energía Atómica (Argentina); Garcés, J.E. [Gerencia de Investigación y Aplicaciones Nucleares, Comisión Nacional de Energía Atómica (Argentina)

    2015-11-15

    This work reports on the structural instability at T = 0 °K of the U{sub 2}Mo compound in the C11{sub b} structure under the distortion related to the C{sub 66} elastic constant. The electronic properties of U{sub 2}Mo such as density of states (DOS), bands and Fermi surface (FS) are studied to understand the source of the instability. The C11{sub b} structure can be interpreted as formed by parallel linear chains along the z-directions each one composed of successive U–Mo–U blocks. Hybridization due to electronic interactions inside the U–Mo–U blocks is slightly modified under the D{sub 6} distortion. The change in distance between chains modifies the U–U interaction and produces a split of f-states. The distorted structure is stabilized by a decrease in energy of the hybridized states, mainly between d-Mo and f-U states, together with the f-band split. Consequently, an induced Peierls distortion is produced in U{sub 2}Mo due to the D{sub 6} distortion. It is important to note that the results of this work indicate that the structure of the ground state of the U{sub 2}Mo compound is not the assumed C11{sub b} structure. It is suggested for the ground state a structure with hexagonal symmetry (P6 #168), ∼0.1 mRy below the energy of the recently proposed Pmmn structure. - Highlights: • Structural instability of the C11b compound due to the D6 deformation. • Induced Peierls distortion due to the D6 deformation. • Distorted structure is stabilized by hybridization and split of f-Uranium state. • P6 (#168) suggested ground state for the U{sub 2}Mo compound.

  14. 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.

  15. Guidelines for earthquake ground motion definition for the Eastern United States

    International Nuclear Information System (INIS)

    Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.

    1985-01-01

    Guidelines for the determination of earthquake ground-motion definition for the eastern United States are established in this paper. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large to great (M > 7.5) sized earthquakes have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes have been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data has been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the Safe Shutdown Earthquake, SSE. A new procedure for establishing the Operating Basis Earthquake, OBE, is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors

  16. Spins and magnetic moments of 58;60;62;64Mn ground states and isomers

    CERN Document Server

    Heylen, H; Billowes, J; Bissell, M L; Blaum, K; Campbell, P; Cheal, B; Ruiz, R F Garcia; Geppert, Ch; Gins, W; Kowalska, M; Kreim, K; Lenzi, S M; Moore, I D; Neugart, R; Neyens, G; Nörtershäuser, W; Papuga, J; Yordanov, D T

    2015-01-01

    The odd-odd 54;56;58;60;62;64Mn isotopes (Z = 25) were studied using bunched-beam collinear laser spectroscopy at ISOLDE, CERN. From the measured hyperfine spectra the spins and magnetic moments of Mn isotopes up to N = 39 were extracted. The previous tentative ground state spin assignments of 58;60;62;64Mn are now firmly determined to be I = 1 along with an I = 4 assignment for the isomeric states in 58;60;62Mn. The I = 1 magnetic moments show a decreasing trend with increasing neutron number while the I = 4 moments remain quite constant between N = 33 and N = 37. The results are compared to large-scale shell-model calculations using the GXPF1A and LNPS effective interactions. The excellent agreement of the ground state moments with the predictions from the LNPS calculations illustrates the need for an increasing amount of proton excitations across Z = 28 and neutron excitations across N = 40 in the ground state wave functions from N = 37 onwards.

  17. Guidelines for earthquake ground motion definition for the eastern United States

    International Nuclear Information System (INIS)

    Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.

    1985-01-01

    Guidelines for the determination of earthquake ground-motion definition for the eastern United States are established in this paper. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large to great (M > 7.5) sized earthquakes have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes have been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data has been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the Safe Shutdown Earthquake, SSE. A new procedure for establishing the Operating Basis Earthquake, OBE, is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors. 17 refs., 2 figs., 1 tab

  18. Random interactions, isospin, and the ground states of odd-A and odd-odd nuclei

    International Nuclear Information System (INIS)

    Horoi, Mihai; Volya, Alexander; Zelevinsky, Vladimir

    2002-01-01

    It was recently shown that the ground state quantum numbers of even-even nuclei have a high probability to be reproduced by an ensemble of random but rotationally invariant two-body interactions. In the present work we extend these investigations to odd-A and odd-odd nuclei, considering in particular the isospin effects. Studying the realistic shell model as well as the single-j model, we show that random interactions have a tendency to assign the lowest possible total angular momentum and isospin to the ground state. In the sd shell model this reproduces correctly the isospin but not the spin quantum numbers of actual odd-odd nuclei. An odd-even staggering effect in probability of various ground state quantum numbers is present for even-even and odd-odd nuclei, while it is smeared out for odd-A nuclei. The observed regularities suggest the underlying mechanism of bosonlike pairing of fermionic pairs in T=0 and T=1 states generated by the off-diagonal matrix elements of random interactions. The relation to the models of random spin interactions is briefly discussed

  19. Induced quadrupolar singlet ground state of praseodymium in a modulated pyrochlore

    Science.gov (United States)

    van Duijn, J.; Kim, K. H.; Hur, N.; Ruiz-Bustos, R.; Adroja, D. T.; Bridges, F.; Daoud-Aladine, A.; Fernandez-Alonso, F.; Wen, J. J.; Kearney, V.; Huang, Q. Z.; Cheong, S.-W.; Perring, T. G.; Broholm, C.

    2017-09-01

    The complex structure and magnetism of Pr2 -xBixRu2O7 was investigated by neutron scattering and extended x-ray absorption fine structure. Pr has an approximate doublet ground state and the first excited state is a singlet. While the B -site (Ru) is well ordered throughout, this is not the case for the A -site (Pr/Bi). A broadened distribution for the Pr-O2 bond length at low temperature indicates the Pr environment varies from site to site even for x =0 . The environment about the Bi site is highly disordered ostensibly due to the 6 s lone pairs on Bi3 +. Correspondingly, we find that the non-Kramers doublet ground-state degeneracy, otherwise anticipated for Pr in the pyrochlore structure, is lifted so as to produce a quadrupolar singlet ground state with a spatially varying energy gap. For x =0 , below TN, the Ru sublattice orders antiferromagnetically, with propagation vector k =(0 ,0 ,0 ) as for Y2Ru2O7 . No ordering associated with the Pr sublattice is observed down to 100 mK. The low-energy magnetic response of Pr2 -xBixRu2O7 features a broad spectrum of magnetic excitations associated with inhomogeneous splitting of the Pr quasidoublet ground state. For x =0 (x =0.97 ), the spectrum is temperature dependent (independent). It appears disorder associated with Bi alloying enhances the inhomogeneous Pr crystal-field level splitting so that intersite interactions become irrelevant for x =0.97 . The structural complexity for the A -site may be reflected in the hysteretic uniform magnetization of B -site ruthenium in the Néel phase.

  20. Selective excitation of a vibrational level within the electronic ground state of a polyatomic molecule with ultra pulses

    CSIR Research Space (South Africa)

    de Clercq, L

    2010-09-01

    Full Text Available Coherent control of the upper vibrational level populations in the electronic ground state of a polyatomic molecule was simulated. Results indicate that selective excitation of a specific upper state level is possible...

  1. Selective excitation of a vibrational level within the electronic ground state of a polyatomic molecule with ultra short pulses

    CSIR Research Space (South Africa)

    De Clercq, L

    2010-09-01

    Full Text Available Coherent control of the upper vibrational level populations in the electronic ground state of a polyatomic molecule was simulated. Results indicate that selective excitation of a specific upper state level is possible....

  2. The Ground State Energy of a Dilute Bose Gas in Dimension $n\\geq 3$

    DEFF Research Database (Denmark)

    Aaen, Anders Gottfred

    We consider a Bose gas in spatial dimension n≥3 with a repulsive, radially symmetric two-body potential V. In the limit of low density ρ, the ground state energy per particle in the thermodynamic limit is shown to be (n−2)|Sn−1|an−2ρ, where |Sn−1| denotes the surface measure of the unit sphere...... in Rn, and a is the scattering length of V. Furthermore, for smooth and compactly supported two-body potentials, we derive an upper bound to the ground state energy with a correction term (1+γ)8π4a6ρ2|ln(a4ρ)| in 4 dimensions, where 0... dimensions. Finally, we use a grand canonical construction to give a simplified proof of the second order upper bound to the Lee-Huang-Yang formula, a result first obtained by Yau and Yin. We also test this method in 4 dimensions, but with a negative outcome....

  3. Ground state of a hydrogen ion molecule immersed in an inhomogeneous electron gas

    International Nuclear Information System (INIS)

    Diaz-Valdes, J.; Gutierrez, F.A.; Matamala, A.R.; Denton, C.D.; Vargas, P.; Valdes, J.E.

    2007-01-01

    In this work we have calculated the ground state energy of the hydrogen molecule, H 2 + , immersed in the highly inhomogeneous electron gas around a metallic surface within the local density approximation. The molecule is perturbed by the electron density of a crystalline surface of Au with the internuclear axis parallel to the surface. The surface spatial electron density is calculated through a linearized band structure method (LMTO-DFT). The ground state of the molecule-ion was calculated using the Born-Oppenheimer approximation for a fixed-ion while the screening effects of the inhomogeneous electron gas are depicted by a Thomas-Fermi like electrostatic potential. We found that within our model the molecular ion dissociates at the critical distance of 2.35a.u. from the first atomic layer of the solid

  4. The influence of nonlocal hybridization on ground-state properties of the Falicov-Kimball model

    International Nuclear Information System (INIS)

    Farkasovsky, Pavol

    2005-01-01

    The density matrix renormalization group is used to examine effects of nonlocal hybridization on ground-state properties of the Falicov-Kimball model (FKM) in one dimension. Special attention is devoted to the problem of hybridization-induced insulator-metal transition. It is shown that the picture of insulator-metal transitions found for the FKM with nonlocal hybridization strongly differs from one found for the FKM without hybridization (as well as with local hybridization). The effect of nonlocal hybridization is so strong that it can induce the insulator-metal transition, even in the half-filled band case where the ground states of the FKM without hybridization are insulating for all finite Coulomb interactions. Outside the half-filled band case the metal-insulator transition driven by pressure is found for finite values of nonlocal hybridization

  5. Energy of ground state in B-B'-U-Hubbard model in approximation of static fluctuations

    CERN Document Server

    Mironov, G I

    2002-01-01

    To explain some features of CuO sub 2 base high-temperature superconductors (HTSC) one should take account of possibility of electron transfer to the crystalline structure mode next to the nearest one. It terms of approximation of static fluctuations one calculated the energy of ground state in two-dimensional B-B'-U Hubbard model. Lattice is assumed to consist of two sublattices formed by various type atoms. The calculation results of ground state energy are compared with the precise solution for one-dimensional Hubbard model derived previously. Comparison of the precise and the approximated solutions shows that approximation of static fluctuations describes adequately behavior of the Hubbard studied model within both weak and strong correlation ranges

  6. Lowering of ground state induced by core-shell structure in strontium titanate

    Science.gov (United States)

    Kiat, J. M.; Hehlen, B.; Anoufa, M.; Bogicevic, C.; Curfs, C.; Boyer, B.; Al-Sabbagh, M.; Porcher, F.; Al-Zein, A.

    2016-04-01

    A new ground state of textbook compound strontium titanate (SrTi O3) is obtained by inducing a specific core-shell structure of the particles. Using a combination of high energy synchrotron and neutron diffraction, we demonstrate a lowering of the ferroelastic ground state towards a new antiferrodistortive phase, accompanied with strong shifts of the critical temperature. This new phase is discussed within the Landau theory and compared with the situation in thin films and during pressure experiments. The crucial competition between particle shape anisotropy, surface tension, and shear strain is analyzed. Inducing a specific core-shell structure is therefore an easy way to tailor structural properties and to stabilize new phases that cannot exist in bulk material, just like film deposition on a substrate.

  7. Ground state study of the thin ferromagnetic nano-islands for artificial spin ice arrays

    Energy Technology Data Exchange (ETDEWEB)

    Vieira Júnior, D. S., E-mail: damiao.vieira@ifsudestemg.edu.br [Departamento Acadêmico de Matemática, Física e Estatística, Instituto Federal de Educação, Ciência e Tecnologia do Sudeste de Minas Gerais - Câmpus Rio Pomba, Rio Pomba, Minas Gerais 36180-000 (Brazil); Departamento de Física, Laboratório de Simulação Computacional, Universidade Federal de Juiz de Fora, Juiz de Fora, Minas Gerais 36036-330 (Brazil); Leonel, S. A., E-mail: sidiney@fisica.ufjf.br; Dias, R. A., E-mail: radias@fisica.ufjf.br; Toscano, D., E-mail: danilotoscano@fisica.ufjf.br; Coura, P. Z., E-mail: pablo@fisica.ufjf.br; Sato, F., E-mail: sjfsato@fisica.ufjf.br [Departamento de Física, Laboratório de Simulação Computacional, Universidade Federal de Juiz de Fora, Juiz de Fora, Minas Gerais 36036-330 (Brazil)

    2014-09-07

    In this work, we used numerical simulations to study the magnetic ground state of the thin elongated (elliptical) ferromagnetic nano-islands made of Permalloy. In these systems, the effects of demagnetization of dipolar source generate a strong magnetic anisotropy due to particle shape, defining two fundamental magnetic ground state configurations—vortex or type C. To describe the system, we considered a model Hamiltonian in which the magnetic moments interact through exchange and dipolar potentials. We studied the competition between the vortex states and aligned states—type C—as a function of the shape of each elliptical nano-islands and constructed a phase diagram vortex—type C state. Our results show that it is possible to obtain the elongated nano-islands in the C-state with aspect ratios less than 2, which is interesting from the technological point of view because it will be possible to use smaller islands in spin ice arrays. Generally, the experimental spin ice arrangements are made with quite elongated particles with aspect ratio approximately 3 to ensure the C-state.

  8. 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)

  9. Potential energy curve of Be2 in its ground electronic state

    Czech Academy of Sciences Publication Activity Database

    Špirko, Vladimír

    2006-01-01

    Roč. 235, č. 2 (2006), s. 268-270 ISSN 0022-2852 R&D Projects: GA AV ČR(CZ) IAA400550511 Institutional research plan: CEZ:AV0Z40550506 Keywords : ground electronic state of Be2 * MR-CI ab initio potentials * reduced potential curves Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.260, year: 2006

  10. Analytical approach to the helium-atom ground state using correlated wavefunctions

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharyya, S.; Bhattacharyya, A.; Talukdar, B. [Visvabharati Univ., Santiniketan (India). Dept. of Physics; Deb, N.C. [Indian Association for the Cultivation of Science, Calcutta (India). Dept. of Theoretical Physics

    1996-03-14

    A realistic three-parameter correlated wavefunction is used to construct an exact analytical expression for the expectation value of the helium-atom Hamiltonian expressed in the interparticle coordinates. The parameters determined variationally are found to satisfy the orbital and correlation cusp conditions to a fair degree of accuracy and yield a value for the ground-state energy which is in good agreement with the exact result. (author).

  11. Quantum corrections to the ground state energy of inhomogeneous neutron matter

    OpenAIRE

    Bulgac, Aurel; Magierski, Piotr

    2000-01-01

    We estimate the quantum corrections to the ground state energy in neutron matter (which could be termed as well either shell correction energy or Casimir energy) at subnuclear densities, where various types of inhomogeneities (bubbles, rods, plates) are energetically favorable. We show that the magnitude of these energy corrections are comparable to the energy differences between various types of inhomogeneous phases. We discuss the dependence of these corrections on a number of physical para...

  12. Ground State of the Universe and the Cosmological Constant. A Nonperturbative Analysis.

    Science.gov (United States)

    Husain, Viqar; Qureshi, Babar

    2016-02-12

    The physical Hamiltonian of a gravity-matter system depends on the choice of time, with the vacuum naturally identified as its ground state. We study the expanding Universe with scalar field in the volume time gauge. We show that the vacuum energy density computed from the resulting Hamiltonian is a nonlinear function of the cosmological constant and time. This result provides a new perspective on the relation between time, the cosmological constant, and vacuum energy.

  13. Stable π-Extended p -Quinodimethanes: Synthesis and Tunable Ground States

    KAUST Repository

    Zeng, Zebing

    2014-12-18

    © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. p-Quinodimethane (p-QDM) is a highly reactive hydrocarbon showing large biradical character in the ground state. It has been demonstrated that incorporation of the p-QDM moiety into an aromatic hydrocarbon framework could lead to new π-conjugated systems with significant biradical character and unique optical, electronic and magnetic properties. On the other hand, the extension of p-QDM is expected to result in molecules with even larger biradical character and higher reactivity. Therefore, the synthesis of stable π-extended p-QDMs is very challenging. In this Personal Account we will briefly discuss different stabilizing strategies and synthetic methods towards stable π-extended p-QDMs with tunable ground states and physical properties, including two types of polycyclic hydrocarbons: (1) tetrabenzo-Tschitschibabin\\'s hydrocarbons, and (2) tetracyano-rylenequinodimethanes. We will discuss how the aromaticity, substituents and steric hindrance play important roles in determining their ground states and properties. Incorporation of the p-quinodimethane moiety into aromatic hydrocarbon frameworks can lead to new π-conjugated systems with significant biradical character and unique optical, electronic and magnetic properties. Furthermore, the extension of p-QDM is expected to result in molecules with even larger biradical character and higher reactivity. In this Personal Account, different stabilizing strategies and synthetic methods towards stable π-extended p-QDMs with tunable ground states and physical properties are briefly discussed, including the roles of aromaticity, substituents and steric hindrance.

  14. Hydrogen-like atom in laser field: Invariant atomic parameters in the ground state

    International Nuclear Information System (INIS)

    Bondarev, I.V.; Kuten, S.A.

    1994-07-01

    The invariant atomic parameters (dynamical vector and tensor polarizabilities) of hydrogen-like atom in the ground 1S 1/2 state are calculated analytically by means of the Laplace transform of the radial Schroedinger equation. The obtained analytical expressions have been written in the compact form as a sum of linear and squared combinations of Gauss hypergeometric functions 2 F 1 . The frequency dependence of the invariant atomic parameters is analyzed. (author). 24 refs, 1 fig

  15. Theoretical study on ground-state proton/H-atom exchange in formic ...

    Indian Academy of Sciences (India)

    Theoretical study on ground-state proton/H-atom exchange in formic acid clusters through different H-bonded .... the pKa of the proton wire, faster is the rate of proton transfer. It is obvious that the features of the H- ..... tances in TS could be ascribed to the higher basicity (as. Table 4. Mulliken partial charges of selected atoms ...

  16. Quasipotential equation for hydrogen isotopes. Muonic atoms. Ground state energy levels

    International Nuclear Information System (INIS)

    Bakalov, D.

    1980-01-01

    The quasipotential for the electromagnetic interaction of two particles of spin 1/2 or 1 with arbitrary electromagnetic interaction of two particles of spin 1/2 or 1 with arbitrary electromagnetic structure is constructed in the one-photon approximation. Todorov's quasipotential equation is applied to calculate the ground state energy levels of the muonic atoms pμ, dμ and tμ with accuracy 10 -3 eV. (orig.)

  17. Multiplicity of ground state solutions for discrete nonlinear Schrodinger equations with unbounded potentials

    Directory of Open Access Journals (Sweden)

    Xia Liu

    2017-02-01

    Full Text Available The discrete nonlinear Schrodinger equation is a nonlinear lattice system that appears in many areas of physics such as nonlinear optics, biomolecular chains and Bose-Einstein condensates. In this article, we consider a class of discrete nonlinear Schrodinger equations with unbounded potentials. We obtain some new sufficient conditions on the multiplicity results of ground state solutions for the equations by using the symmetric mountain pass lemma. Recent results in the literature are greatly improved.

  18. State Mindfulness Scale (SMS): development and initial validation.

    Science.gov (United States)

    Tanay, Galia; Bernstein, Amit

    2013-12-01

    The goal of the present research was to develop and test a novel conceptual model and corresponding measure of state mindfulness-the State Mindfulness Scale (SMS). We developed the SMS to reflect traditional Buddhist and contemporary psychological science models of mindfulness not similarly reflected in extant published measures of the construct. Study 1 exploratory and confirmatory factor analyses supported a higher order 2-factor solution encompassing 1 second-order state mindfulness factor, and 2 first-order factors, one reflecting state mindfulness of bodily sensations and the other state mindfulness of mental events. Study 2 provided cross-sectional evidence of the convergent, discriminant, and incremental convergent validity of SMS scores with respect to other measures of state and trait mindfulness. Study 3, a randomized control experimental mindfulness intervention study, yielded a number of key findings with respect to SMS stability as a function of time and context, construct validity, incremental sensitivity to change in state mindfulness over time, and incremental predictive criterion-related validity. Findings are discussed with respect to the potential contribution of the SMS to the study of mindfulness as a statelike mental behavior, biopsychobehavioral research on the mechanisms of mindfulness, and clinical evaluation of mindfulness. (PsycINFO Database Record (c) 2013 APA, all rights reserved).

  19. Density-matrix-functional calculations for matter in strong magnetic fields: Ground states of heavy atoms

    DEFF Research Database (Denmark)

    Johnsen, Kristinn; Yngvason, Jakob

    1996-01-01

    We report on a numerical study of the density matrix functional introduced by Lieb, Solovej, and Yngvason for the investigation of heavy atoms in high magnetic fields. This functional describes exactly the quantum mechanical ground state of atoms and ions in the limit when the nuclear charge Z...... and the electron number N tend to infinity with N/Z fixed, and the magnetic field B tends to infinity in such a way that B/Z4/3→∞. We have calculated electronic density profiles and ground-state energies for values of the parameters that prevail on neutron star surfaces and compared them with results obtained...... by other methods. For iron at B=1012 G the ground-state energy differs by less than 2% from the Hartree-Fock value. We have also studied the maximal negative ionization of heavy atoms in this model at various field strengths. In contrast to Thomas-Fermi type theories atoms can bind excess negative charge...

  20. Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering.

    Science.gov (United States)

    Schreck, Simon; Pietzsch, Annette; Kennedy, Brian; Såthe, Conny; Miedema, Piter S; Techert, Simone; Strocov, Vladimir N; Schmitt, Thorsten; Hennies, Franz; Rubensson, Jan-Erik; Föhlisch, Alexander

    2016-01-29

    Thermally driven chemistry as well as materials' functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future.

  1. Emergent Ising degrees of freedom above a double-stripe magnetic ground state

    Science.gov (United States)

    Zhang, Guanghua; Flint, Rebecca

    2017-12-01

    Double-stripe magnetism [Q =(π /2 ,π /2 )] has been proposed as the magnetic ground state for both the iron-telluride and BaTi2Sb2O families of superconductors. Double-stripe order is captured within a J1-J2-J3 Heisenberg model in the regime J3≫J2≫J1 . Intriguingly, besides breaking spin-rotational symmetry, the ground-state manifold has three additional Ising degrees of freedom associated with bond ordering. Via their coupling to the lattice, they give rise to an orthorhombic distortion and to two nonuniform lattice distortions with wave vector (π ,π ) . Because the ground state is fourfold degenerate, modulo rotations in spin space, only two of these Ising bond order parameters are independent. Here, we introduce an effective field theory to treat all Ising order parameters, as well as magnetic order, and solve it within a large-N limit. All three transitions, corresponding to the condensations of two Ising bond order parameters and one magnetic order parameter are simultaneous and first order in three dimensions, but lower dimensionality, or equivalently weaker interlayer coupling, and weaker magnetoelastic coupling can split the three transitions, and in some cases allows for two separate Ising phase transitions above the magnetic one.

  2. Ground beetles (Coleoptera, Carabidae of the Hanford Nuclear Site in south-central Washington State

    Directory of Open Access Journals (Sweden)

    Chris Looney

    2014-04-01

    Full Text Available In this paper we report on ground beetles (Coleoptera: Carabidae collected from the Hanford Nuclear Reservation and Hanford National Monument (together the Hanford Site, which is located in south-central Washington State. The Site is a relatively undisturbed relict of the shrub-steppe habitat present throughout much of the western Columbia Basin before the westward expansion of the United States. Species, localities, months of capture, and capture method are reported for field work conducted between 1994 and 2002. Most species were collected using pitfall traps, although other capture methods were employed. Trapping results indicate the Hanford Site supports a diverse ground beetle community, with over 90% of the 92 species captured native to North America. Four species collected during the study period are newly recorded for Washington State: Bembidion diligens Casey, Calosoma obsoletum Say, Pseudaptinus rufulus (LeConte, and Stenolophus lineola (Fabricius. Based on these data, the Site maintains a diverse ground beetle fauna and, due to its size and diversity of habitats, is an important repository of shrub-steppe biodiversity.

  3. Small Island States Green Energy Initiative. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Khattak, Nasir [Climate Inst., Washington, DC (United States)

    1999-10-15

    This report covers the activities carried out during a one year period from 7/15/99 to 7/15/00 as part of the Small Islands Green Energy Initiative. The three activities were: 1) Energy Ministerial conference in the Caribbean; 2) Training session on renewable energy for utility engineers; and 3) Case studies compilation on renewable energy in the Caribbean.

  4. Multi-State Initiatives---Agriculture Security Preparedness

    National Research Council Canada - National Science Library

    Gordon, Ellen

    2004-01-01

    ... to protect the nation's food security. The National Homeland Security Strategy puts states on the front lines in the war against terrorism including the struggle to secure the agriculture industry from potentially devastating attack...

  5. The fine structure levels for ground states of negative ions of nitrogen and phosphorus

    Directory of Open Access Journals (Sweden)

    Leyla Özdemir

    2013-01-01

    Full Text Available The fine structure levels for negative ions (anions of nitrogen and phosphorus have been investigated using multiconfiguration Hartree-Fock method within the framework of Breit-Pauli Hamiltonian (MCHF+BP. Nitrogen and phosphorus have half-filled outer shell in ground state 1s22s22p3 4S and 1s22s22p33s23p3 4S, respectively. It has been stated in most works that the negative ion of nitrogen is instable whereas the negative ion of phosphorus is stable. The results obtained have been compared with other works.

  6. Microwave spectrum of FeCl radical in the electronic ground 6Δi state

    Science.gov (United States)

    Tanimoto, Mitsutoshi; Saito, Shuji; Okabayashi, Toshiaki

    1995-08-01

    The rotational spectrum of the FeCl radical in the electronic ground state was observed by using a source-modulated millimeter-wave spectrometer. This species was produced in a free-space cell by glow-discharging a mixture of helium and aluminum trichloride vapor. Iron atoms were extracted during the discharge from the stainless-steel electrodes in the cell. The spectrum was observed for the two lowest-lying spin components of the inverted sextet Δ state. The rotational and centrifugal distortion constants were determined by a least-squares fit to the line frequencies of each spin substate.

  7. Quantum Critical Point and Entanglement in a Matrix Product Ground State

    OpenAIRE

    Tribedi, Amit; Bose, Indrani

    2006-01-01

    In this paper, we study the entanglement properties of a spin-1 model the exact ground state of which is given by a Matrix Product state. The model exhibits a critical point transition at a parameter value a=0. The longitudinal and transverse correlation lengths are known to diverge as a tends to zero. We use three different entanglement measures S(i) (the one-site von Neumann entropy), S(i,j) (the two-body entanglement) and G(2,n) (the generalized global entanglement) to determine the entang...

  8. Alpha-decay for heavy nuclei in the ground and isomeric states

    Science.gov (United States)

    Dong, Jianmin; Zhang, Hongfei; Wang, Yanzhao; Zuo, Wei; Li, Junqing

    2010-01-01

    The α-decay half-lives of nuclei in the ground states and isomeric states have been calculated within the WKB approximation and Royer's formulas. The barrier in the quasimolecular shape path is determined within a generalized liquid drop model (GLDM), in which the centrifugal potential energy has been introduced to study the unfavored α-decay. The agreement between the calculated results and experimental data indicates the reliability of studying α-decay of isomeric states with the generalized liquid drop model. We find that their is no significant difference of preformation probability between isomeric states and the corresponding ground states generally in favored α-decay. Additionally, we extended Royer's formulas by taking account of the role of centrifugal barrier to study the unfavored α-decay, and some predicts on the α-decay half-lives of isomers are made. Finally, the effects of angular momentum transfer and Q on α-decay half-life have been discussed.

  9. Evidence of tetragonal distortion as the origin of the ferromagnetic ground state in γ -Fe nanoparticles

    Science.gov (United States)

    Augustyns, V.; van Stiphout, K.; Joly, V.; Lima, T. A. L.; Lippertz, G.; Trekels, M.; Menéndez, E.; Kremer, F.; Wahl, U.; Costa, A. R. G.; Correia, J. G.; Banerjee, D.; Gunnlaugsson, H. P.; von Bardeleben, J.; Vickridge, I.; Van Bael, M. J.; Hadermann, J.; Araújo, J. P.; Temst, K.; Vantomme, A.; Pereira, L. M. C.

    2017-11-01

    γ -Fe and related alloys are model systems of the coupling between structure and magnetism in solids. Since different electronic states (with different volumes and magnetic ordering states) are closely spaced in energy, small perturbations can alter which one is the actual ground state. Here, we demonstrate that the ferromagnetic state of γ -Fe nanoparticles is associated with a tetragonal distortion of the fcc structure. Combining a wide range of complementary experimental techniques, including low-temperature Mössbauer spectroscopy, advanced transmission electron microscopy, and synchrotron radiation techniques, we unambiguously identify the tetragonally distorted ferromagnetic ground state, with lattice parameters a =3.76 (2 )Å and c =3.50 (2 )Å , and a magnetic moment of 2.45(5) μB per Fe atom. Our findings indicate that the ferromagnetic order in nanostructured γ -Fe is generally associated with a tetragonal distortion. This observation motivates a theoretical reassessment of the electronic structure of γ -Fe taking tetragonal distortion into account.

  10. Using Cloud-to-Ground Lightning Climatologies to Initialize Gridded Lightning Threat Forecasts for East Central Florida

    Science.gov (United States)

    Lambert, Winnie; Sharp, David; Spratt, Scott; Volkmer, Matthew

    2005-01-01

    Each morning, the forecasters at the National Weather Service in Melbourn, FL (NWS MLB) produce an experimental cloud-to-ground (CG) lightning threat index map for their county warning area (CWA) that is posted to their web site (http://www.srh.weather.gov/mlb/ghwo/lightning.shtml) . Given the hazardous nature of lightning in central Florida, especially during the warm season months of May-September, these maps help users factor the threat of lightning, relative to their location, into their daily plans. The maps are color-coded in five levels from Very Low to Extreme, with threat level definitions based on the probability of lightning occurrence and the expected amount of CG activity. On a day in which thunderstorms are expected, there are typically two or more threat levels depicted spatially across the CWA. The locations of relative lightning threat maxima and minima often depend on the position and orientation of the low-level ridge axis, forecast propagation and interaction of sea/lake/outflow boundaries, expected evolution of moisture and stability fields, and other factors that can influence the spatial distribution of thunderstorms over the CWA. The lightning threat index maps are issued for the 24-hour period beginning at 1200 UTC (0700 AM EST) each day with a grid resolution of 5 km x 5 km. Product preparation is performed on the AWIPS Graphical Forecast Editor (GFE), which is the standard NWS platform for graphical editing. Currently, the forecasters create each map manually, starting with a blank map. To improve efficiency of the forecast process, NWS MLB requested that the Applied Meteorology Unit (AMU) create gridded warm season lightning climatologies that could be used as first-guess inputs to initialize lightning threat index maps. The gridded values requested included CG strike densities and frequency of occurrence stratified by synoptic-scale flow regime. The intent is to increase consistency between forecasters while enabling them to focus on

  11. Ground state robustness as an evolutionary design principle in signaling networks.

    Directory of Open Access Journals (Sweden)

    Onder Kartal

    Full Text Available The ability of an organism to survive depends on its capability to adapt to external conditions. In addition to metabolic versatility and efficient replication, reliable signal transduction is essential. As signaling systems are under permanent evolutionary pressure one may assume that their structure reflects certain functional properties. However, despite promising theoretical studies in recent years, the selective forces which shape signaling network topologies in general remain unclear. Here, we propose prevention of autoactivation as one possible evolutionary design principle. A generic framework for continuous kinetic models is used to derive topological implications of demanding a dynamically stable ground state in signaling systems. To this end graph theoretical methods are applied. The index of the underlying digraph is shown to be a key topological property which determines the so-called kinetic ground state (or off-state robustness. The kinetic robustness depends solely on the composition of the subdigraph with the strongly connected components, which comprise all positive feedbacks in the network. The component with the highest index in the feedback family is shown to dominate the kinetic robustness of the whole network, whereas relative size and girth of these motifs are emphasized as important determinants of the component index. Moreover, depending on topological features, the maintenance of robustness differs when networks are faced with structural perturbations. This structural off-state robustness, defined as the average kinetic robustness of a network's neighborhood, turns out to be useful since some structural features are neutral towards kinetic robustness, but show up to be supporting against structural perturbations. Among these are a low connectivity, a high divergence and a low path sum. All results are tested against real signaling networks obtained from databases. The analysis suggests that ground state robustness may

  12. Ground-state thermodynamics of bistable redox-active donor-acceptor mechanically interlocked molecules.

    Science.gov (United States)

    Fahrenbach, Albert C; Bruns, Carson J; Cao, Dennis; Stoddart, J Fraser

    2012-09-18

    Fashioned through billions of years of evolution, biological molecular machines, such as ATP synthase, myosin, and kinesin, use the intricate relative motions of their components to drive some of life's most essential processes. Having control over the motions in molecules is imperative for life to function, and many chemists have designed, synthesized, and investigated artificial molecular systems that also express controllable motions within molecules. Using bistable mechanically interlocked molecules (MIMs), based on donor-acceptor recognition motifs, we have sought to imitate the sophisticated nanoscale machines present in living systems. In this Account, we analyze the thermodynamic characteristics of a series of redox-switchable [2]rotaxanes and [2]catenanes. Control and understanding of the relative intramolecular movements of components in MIMs have been vital in the development of a variety of applications of these compounds ranging from molecular electronic devices to drug delivery systems. These bistable donor-acceptor MIMs undergo redox-activated switching between two isomeric states. Under ambient conditions, the dominant translational isomer, the ground-state coconformation (GSCC), is in equilibrium with the less favored translational isomer, the metastable-state coconformation (MSCC). By manipulating the redox state of the recognition site associated with the GSCC, we can stimulate the relative movements of the components in these bistable MIMs. The thermodynamic parameters of model host-guest complexes provide a good starting point to rationalize the ratio of GSCC to MSCC at equilibrium. The bistable [2]rotaxanes show a strong correlation between the relative free energies of model complexes and the ground-state distribution constants (K(GS)). This relationship does not always hold for bistable [2]catenanes, most likely because of the additional steric and electronic constraints present when the two rings are mechanically interlocked with each other

  13. Studies of photoionization processes from ground-state and excited-state atoms and molecules

    International Nuclear Information System (INIS)

    Ederer, D.L.; Parr, A.C.; West, J.B.

    1982-01-01

    Recent triply-differential photoelectron spectroscopy experiments designed for the study of correlation effects in atoms and molecules are described. Final-state symmetry of the n=2 state of helium has been determined. The non-Franck-Condon behavior of vibrational branching ratios and large variations of the angular asymmetry parameter has been observed for shape resonances and autoionizing resonances in CO and other molecules. Recent observations of the photoionization of excited sodium atoms are also described

  14. Determination of ground and excited state dipole moments via electronic Stark spectroscopy: 5-methoxyindole

    Energy Technology Data Exchange (ETDEWEB)

    Wilke, Josefin; Wilke, Martin; Schmitt, Michael, E-mail: mschmitt@uni-duesseldorf.de [Institut für Physikalische Chemie, Heinrich-Heine-Universität, D-40225 Düsseldorf (Germany); Meerts, W. Leo, E-mail: leo.meerts@science.ru.nl [Institute for Molecules and Materials, Radboud University, NL-6525 AS Nijmegen (Netherlands)

    2016-01-28

    The dipole moments of the ground and lowest electronically excited singlet state of 5-methoxyindole have been determined by means of optical Stark spectroscopy in a molecular beam. The resulting spectra arise from a superposition of different field configurations, one with the static electric field almost parallel to the polarization of the exciting laser radiation, the other nearly perpendicular. Each field configuration leads to different intensities in the rovibronic spectrum. With an automated evolutionary algorithm approach, the spectra can be fit and the ratio of both field configurations can be determined. A simultaneous fit of two spectra with both field configurations improved the precision of the dipole moment determination by a factor of two. We find a reduction of the absolute dipole moment from 1.59(3) D to 1.14(6) D upon electronic excitation to the lowest electronically excited singlet state. At the same time, the dipole moment orientation rotates by 54{sup ∘} showing the importance of the determination of the dipole moment components. The dipole moment in the electronic ground state can approximately be obtained from a vector addition of the indole and the methoxy group dipole moments. However, in the electronically excited state, vector addition completely fails to describe the observed dipole moment. Several reasons for this behavior are discussed.

  15. EOMCC over excited state Hartree-Fock solutions (ESHF-EOMCC: An efficient approach for the entire ground state potential energy curves of higher-order bonds

    Directory of Open Access Journals (Sweden)

    Y. Sajeev

    2015-08-01

    Full Text Available The equation-of-motion coupled cluster (EOMCC method based on the excited state Hartree-Fock (ESHF solutions is shown to be appropriate for computing the entire ground state potential energy curves of strongly correlated higher-order bonds. The new approach is best illustrated for the homolytic dissociation of higher-order bonds in molecules. The required multireference character of the true ground state wavefunction is introduced through the linear excitation operator of the EOMCC method. Even at the singles and doubles level of cluster excitation truncation, the nonparallelity error of the ground state potential energy curve from the ESHF based EOMCC method is small.

  16. Hydrochemical and isotopic study of the Botucatu aquifer ground waters in Sao Paulo State

    International Nuclear Information System (INIS)

    Silva, R.B.G. da.

    1983-01-01

    The process controlling chemical composition of ground water,its origin and apparent age as well as, the natural flow rate of the water in Botucatu aquifer in state of Sao Paulo, Brazil, have been investigated using hydrochemical and environmental isotopic ( 18 O, 2 H, 13 C, 14 C) Technics. The main recharge process is assumed to be the infiltration of rain water in the aquifer outcrop area. The progressive confining conditions with the increasing depth of the top of the aquifer layer makes the ground water temperature slowly greater. The recent magnesium and sodium bicarbonated waters changes first to sodium bicarbonated and then to sodium chloride-sulfated waters which are oldest found out in the research area(around 30.000 years ago). The mean Darcy permeability estimated on basis of 14 C and hydraulic gradient data is 2.6x10 -5 m/s. 9 maps (author) [pt

  17. OARSI-FDA initiative: defining the disease state of osteoarthritis.

    Science.gov (United States)

    Lane, N E; Brandt, K; Hawker, G; Peeva, E; Schreyer, E; Tsuji, W; Hochberg, M C

    2011-05-01

    To respond to a pre-specified set of questions posed by the United States Food and Drug Administration (FDA) on defining the disease state to inform the clinical development of drugs, biological products, and medical devices for the prevention and treatment of osteoarthritis (OA). An Osteoarthritis Research Society International (OARSI) Disease State working group was established, comprised of representatives from academia and industry. The Working Group met in person and by teleconference on several occasions from the Spring of 2008 through the Autumn of 2009 to develop consensus-based, evidence-informed responses to these questions. A report was presented at a public forum in December 2009 and accepted by the OARSI Board of Directors in the Summer of 2010. An operational definition of OA was developed incorporating current understanding of the condition. The structural changes that characterize OA at the joint level were distinguished from the patients' experience of OA as the 'disease' and 'illness', respectively. Recommendations were made regarding the evaluation of both in future OA clinical trials. The current poor understanding of the phenotypes that characterize OA was identified as an important area for future research. The design and conduct of clinical trials for new OA treatments should address the heterogeneity of the disease, treatment-associated structural changes in target joints and patient-reported outcomes. Copyright © 2011 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

  18. Exact ground-state phase diagrams for the spin-3/2 Blume-Emery-Griffiths model

    International Nuclear Information System (INIS)

    Canko, Osman; Keskin, Mustafa; Deviren, Bayram

    2008-01-01

    We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and J 0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found

  19. A grounded theory of young tennis players use of music to manipulate emotional state.

    Science.gov (United States)

    Bishop, Daniel T; Karageorghis, Costas I; Loizou, Georgios

    2007-10-01

    The main objectives of this study were (a) to elucidate young tennis players' use of music to manipulate emotional states, and (b) to present a model grounded in present data to illustrate this phenomenon and to stimulate further research. Anecdotal evidence suggests that music listening is used regularly by elite athletes as a preperformance strategy, but only limited empirical evidence corroborates such use. Young tennis players (N = 14) were selected purposively for interview and diary data collection. Results indicated that participants consciously selected music to elicit various emotional states; frequently reported consequences of music listening included improved mood, increased arousal, and visual and auditory imagery. The choice of music tracks and the impact of music listening were mediated by a number of factors, including extramusical associations, inspirational lyrics, music properties, and desired emotional state. Implications for the future investigation of preperformance music are discussed.

  20. Carotenoid deactivation in an artificial light-harvesting complex via a vibrationally hot ground state

    International Nuclear Information System (INIS)

    Savolainen, Janne; Buckup, Tiago; Hauer, Juergen; Jafarpour, Aliakbar; Serrat, Carles; Motzkus, Marcus; Herek, Jennifer L.

    2009-01-01

    Ultrafast relaxation of a carotenoid in an artificial light-harvesting complex has been studied by transient absorption spectroscopy. The transient signal amplitudes at several wavelengths as well as the amplitudes of the underlying species associated spectra (SAS) are analysed for several excitation energies ranging over more than two orders of magnitude (10 nJ/pulse up to 3000 nJ/pulse). Our analysis shows that the contribution from the so-called S* signal on the long-wavelength side of the first allowed S 0 → S 2 transition has a markedly different excitation energy dependence and saturation behaviour than the electronic excited state S 1 . These observations are modelled and explained in terms of a two-photon excitation of a vibrationally hot ground state via an impulsive stimulated Raman scattering (ISRS). The experimental observations of the varying pulse energy dependencies of different excited state species are supported by an analysis based on a density-matrix formalism

  1. Ground-water recharge in the arid and semiarid southwestern United States

    Science.gov (United States)

    Stonestrom, David A.; Constantz, Jim; Ferré, Ty P.A.; Leake, Stanley A.

    2007-01-01

    Ground-water recharge in the arid and semiarid southwestern United States results from the complex interplay of climate, geology, and vegetation across widely ranging spatial and temporal scales. Present-day recharge tends to be narrowly focused in time and space. Widespread water-table declines accompanied agricultural development during the twentieth century, demonstrating that sustainable ground-water supplies are not guaranteed when part of the extracted resource represents paleorecharge. Climatic controls on ground-water recharge range from seasonal cycles of summer monsoonal and winter frontal storms to multimillennial cycles of glacial and interglacial periods. Precipitation patterns reflect global-scale interactions among the oceans, atmosphere, and continents. Large-scale climatic influences associated with El Niño and Pacific Decadal Oscillations strongly, but irregularly, control weather in the study area, so that year-to-year variations in precipitation and ground-water recharge are large and difficult to predict. Proxy data indicate geologically recent periods of naturally occurring multidecadal droughts unlike any in the modern instrumental record. Any anthropogenically induced climate change will likely reduce ground-water recharge through diminished snowpack at higher elevations. Future changes in El Niño and monsoonal patterns, both crucial to precipitation in the study area, are highly uncertain in current models. Current land-use modifications influence ground-water recharge through vegetation, irrigation, and impermeable area. High mountain ranges bounding the study area—the San Bernadino Mountains and Sierra Nevada to the west, and the Wasatch and southern Colorado Rocky Mountains to the east—provide external geologic controls on ground-water recharge. Internal geologic controls stem from tectonic processes that led to numerous, variably connected alluvial-filled basins, exposure of extensive Paleozoic aquifers in mountainous recharge

  2. Toward a semi-self-paced EEG brain computer interface: decoding initiation state from non-initiation state in dedicated time slots.

    Directory of Open Access Journals (Sweden)

    Lingling Yang

    Full Text Available Brain computer interfaces (BCIs offer a broad class of neurologically impaired individuals an alternative means to interact with the environment. Many BCIs are "synchronous" systems, in which the system sets the timing of the interaction and tries to infer what control command the subject is issuing at each prompting. In contrast, in "asynchronous" BCIs subjects pace the interaction and the system must determine when the subject's control command occurs. In this paper we propose a new idea for BCI which draws upon the strengths of both approaches. The subjects are externally paced and the BCI is able to determine when control commands are issued by decoding the subject's intention for initiating control in dedicated time slots. A single task with randomly interleaved trials was designed to test whether it can be used as stimulus for inducing initiation and non-initiation states when the sensory and motor requirements for the two types of trials are very nearly identical. Further, the essential problem on the discrimination between initiation state and non-initiation state was studied. We tested the ability of EEG spectral power to distinguish between these two states. Among the four standard EEG frequency bands, beta band power recorded over parietal-occipital cortices provided the best performance, achieving an average accuracy of 86% for the correct classification of initiation and non-initiation states. Moreover, delta band power recorded over parietal and motor areas yielded a good performance and thus could also be used as an alternative feature to discriminate these two mental states. The results demonstrate the viability of our proposed idea for a BCI design based on conventional EEG features. Our proposal offers the potential to mitigate the signal detection challenges of fully asynchronous BCIs, while providing greater flexibility to the subject than traditional synchronous BCIs.

  3. Quantum critical point and entanglement in a matrix-product ground state

    Science.gov (United States)

    Tribedi, Amit; Bose, Indrani

    2007-04-01

    In this paper, we study the entanglement properties of a spin-1 model, the exact ground state of which is given by a matrix product (MP) state. The model exhibits a critical point transition at a parameter value a=0 . The longitudinal and transverse correlation lengths are known to diverge as a→0 . We use three different entanglement measures S(i) (the one-site von Neumann entropy), S(i,j) (the two-body entanglement), and G(2,n) (the generalized global entanglement) to determine the entanglement content of the MP ground state as the parameter a is varied. The entanglement length, associated with S(i,j) , is found to diverge in the vicinity of the quantum critical point a=0 . The first derivative of the entanglement measure E [=S(i),S(i,j)] with respect to the parameter a also diverges. The first derivative of G(2,n) with respect to a does not diverge as a→0 but attains a maximum value at a=0 . At the quantum critical point itself all three entanglement measures become zero. We further show that multipartite correlations are involved in the quantum phase transitions at a=0 .

  4. Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum Mechanics.

    Science.gov (United States)

    Barborini, Matteo; Guidoni, Leonardo

    2015-09-08

    Due to the crucial role played by electron correlation, the accurate determination of ground state geometries of π-conjugated molecules is still a challenge for many quantum chemistry methods. Because of the high parallelism of the algorithms and their explicit treatment of electron correlation effects, Quantum Monte Carlo calculations can offer an accurate and reliable description of the electronic states and of the geometries of such systems, competing with traditional quantum chemistry approaches. Here, we report the structural properties of polyacetylene chains H-(C₂H₂)(N)-H up to N = 12 acetylene units, by means of Variational Monte Carlo (VMC) calculations based on the multi-determinant Jastrow Antisymmetrized Geminal Power (JAGP) wave function. This compact ansatz can provide for such systems an accurate description of the dynamical electronic correlation as recently detailed for the 1,3-butadiene molecule [J. Chem. Theory Comput. 2015 11 (2), 508-517]. The calculated Bond Length Alternation (BLA), namely the difference between the single and double carbon bonds, extrapolates, for N → ∞, to a value of 0.0910(7) Å, compatible with the experimental data. An accurate analysis was able to distinguish between the influence of the multi-determinantal AGP expansion and of the Jastrow factor on the geometrical properties of the fragments. Our size-extensive and self-interaction-free results provide new and accurate ab initio references for the structures of the ground state of polyenes.

  5. Ground beetles (Coleoptera, Carabidae) of the Hanford Nuclear Site in south-central Washington State.

    Science.gov (United States)

    Looney, Chris; Zack, Richard S; Labonte, James R

    2014-01-01

    Carabidae) collected from the Hanford Nuclear Reservation and Hanford National Monument (together the Hanford Site), which is located in south-central Washington State. The Site is a relatively undisturbed relict of the shrub-steppe habitat present throughout much of the western Columbia Basin before the westward expansion of the United States. Species, localities, months of capture, and capture method are reported for field work conducted between 1994 and 2002. Most species were collected using pitfall traps, although other capture methods were employed. Trapping results indicate the Hanford Site supports a diverse ground beetle community, with over 90% of the 92 species captured native to North America. Four species collected during the study period are newly recorded for Washington State: Bembidion diligens Casey, Calosoma obsoletum Say, Pseudaptinus rufulus (LeConte), and Stenolophus lineola (Fabricius). Based on these data, the Site maintains a diverse ground beetle fauna and, due to its size and diversity of habitats, is an important repository of shrub-steppe biodiversity.

  6. Ground- and excited-state structural orientation of 2-(2`-hydroxyphenyl)benzazoles in cyclodextrins

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, E.L.; Dey, J.; Warner, I.M. [Louisiana State Univ., Baton Rouge, LA (United States)

    1996-12-12

    The effects of {alpha}-, {beta}-, {gamma}-, and 2,6-di-O-methyl-{beta}-cyclodextrins (CDs) on the ground- and excited-state properties of 2-(2`-hydroxyphenyl)benzoxazole, 2-(2`-hydroxyphenyl)benzothiazole, and 2-(2`-hydroxyphenyl)benzimidazole in aqueous media are investigated. Steady-state fluorescence measurements are used to characterize the interaction of CDs with these azoles. Absorbance measurements indicate increased solubility of the azoles in aqueous solutions of CDs. Measurements of acidity constants (pK{sub a}) and data from induced circular dichroism indicate increased ground- and excited-state acidities of the phenolic protons of the molecules in the presence of CDs and axial orientation of the molecules within the CD cavity, respectively. The data further suggest a planar structure for HBO and a twisted confirmation for both HBT and HBI. The association constants of the inclusion complexes have also been estimated. These studies are further supplemented by comparative spectroscopic studies of 2-(2`-methoxyphenyl)benzothiazole in aqueous solutions of CDs. On the basis of the spectral data acquired, it is believed that the HBA molecules exist as zwitterionic tautomers in the presence of CDs. 35 refs., 6 figs., 2 tabs.

  7. Covariant energy density functionals: Nuclear matter constraints and global ground state properties

    Science.gov (United States)

    Afanasjev, A. V.; Agbemava, S. E.

    2016-05-01

    The correlations between global description of the ground state properties (binding energies, charge radii) and nuclear matter properties of the state-of-the-art covariant energy density functionals have been studied. It was concluded that the strict enforcement of the constraints on the nuclear matter properties (NMP) defined in Dutra et al. [Phys. Rev. C 90, 055203 (2014), 10.1103/PhysRevC.90.055203] will not necessarily lead to the functionals with good description of the binding energies and other ground and excited state properties. In addition, it will not substantially reduce the uncertainties in the predictions of the binding energies in neutron-rich systems. It turns out that the functionals, which come close to satisfying these NMP constraints, have some problems in the description of existing data. On the other hand, these problems are either absent or much smaller in the functionals which are carefully fitted to finite nuclei but which violate some NMP constraints. This is a consequence of the fact that the properties of finite nuclei are defined not only by nuclear matter properties but also by underlying shell effects. The mismatch of phenomenological content, existing in all modern functionals, related to nuclear matter physics and the physics of finite nuclei could also be responsible.

  8. New results on initial state & quarkonia with ATLAS

    CERN Document Server

    Tapia Araya, Sebastian; The ATLAS collaboration

    2017-01-01

    Weak bosons do not interact strongly with the dense and hot medium formed in the nuclear collisions, thus should be sensitive to the nuclear modification of parton distribution functions (nPDFs). The in-medium modification of heavy quarkonium states plays an important role in studying the hot and dense medium formed in the larger collision systems. The ATLAS detector, optimized for searching new physics in proton-proton collisions, is especially well equipped to measure Z, W bosons and quakonium in the high occupancy environment produced in heavy-ion collisions. We will present recent results on the Z boson and quarkonia yields as a function of centrality, transverse momentum and rapidity, from the ATLAS experiment.

  9. Moving State Marine SINS Initial Alignment Based on High Degree CKF

    Directory of Open Access Journals (Sweden)

    Yong-Gang Zhang

    2014-01-01

    Full Text Available A new moving state marine initial alignment method of strap-down inertial navigation system (SINS is proposed based on high-degree cubature Kalman filter (CKF, which can capture higher order Taylor expansion terms of nonlinear alignment model than the existing third-degree CKF, unscented Kalman filter and central difference Kalman filter, and improve the accuracy of initial alignment under large heading misalignment angle condition. Simulation results show the efficiency and advantage of the proposed initial alignment method as compared with existing initial alignment methods for the moving state SINS initial alignment with large heading misalignment angle.

  10. Highly twisted 1,2:8,9-dibenzozethrenes: Synthesis, ground state, and physical properties

    KAUST Repository

    Sun, Zhe

    2014-08-08

    Two soluble and stable 1,2:8,9-dibenzozethrene derivatives (3a,b) are synthesized through a palladium-catalyzed cyclodimerization reaction. X-ray crystallographic analysis shows that these molecules are highly twisted owing to congestion at the cove region. Broken-symmetry DFT calculations predict that they have a singlet biradical ground state with a smaller biradical character and a large singlet-triplet energy gap; these predictions are supported by NMR and electronic absorption measurements. They have small energy gaps and exhibit farred/near-infrared absorption/emission and amphoteric redox behaviors.

  11. Isospin mixing in the ground state of sup 5 sup 2 Mn

    CERN Document Server

    Schuurmans, P; Phalet, T; Severijns, N; Vereecke, B; Versyck, S

    2000-01-01

    The presence of isospin mixing into the ground state of sup 5 sup 2 Mn was studied via anisotropic positron emission from nuclei. With this method the isospin forbidden Fermi-component in the Gamow-Teller dominated beta decay was determined. It is shown that sample purity and the control of positron scattering is of vital importance. Comparison between theory and experiment shows that shell model calculations of the isospin mixing probability deviate by a factor three to seven from experiment. For more recent Hartree-Fock-RPA based calculations the difference is over two orders of magnitude.

  12. Ground-state properties of a dilute homogeneous Bose gas of hard disks in two dimensions

    International Nuclear Information System (INIS)

    Mazzanti, F.; Polls, A.; Fabrocini, A.

    2005-01-01

    The energy and structure of a dilute hard-disks Bose gas are studied in the framework of a variational many-body approach based on a Jastrow correlated ground-state wave function. The asymptotic behaviors of the radial distribution function and the one-body density matrix are analyzed after solving the Euler equation obtained by a free minimization of the hypernetted chain energy functional. Our results show important deviations from those of the available low density expansions, already at gas parameter values x∼0.001. The condensate fraction in 2D is also computed and found generally lower than the 3D one at the same x

  13. First principles calculations of the ground state properties and structural phase transformation in YN

    CERN Document Server

    Mancera, L; Takeuchi, N

    2003-01-01

    We have studied the structural and electronic properties of YN in rock salt (sodium chloride), caesium chloride, zinc blende and wurtzite structures using first-principles total energy calculations. Rock salt is the calculated ground state structure with a = 4.93 A, B sub 0 = 157 GPa. The experimental lattice constant is a = 4.877 A. There is an additional local minimum in the wurtzite structure with total energy 0.28 eV/unit cell higher. At high pressure (approx 138 GPa), our calculations predict a phase transformation from a NaCl to a CsCl structure.

  14. Light-cone distribution amplitudes of the ground state bottom baryons in HQET

    Energy Technology Data Exchange (ETDEWEB)

    Ali, A.; Wang, W. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Hambrock, C. [Technische Univ. Dortmund (Germany); Parkhomenko, A.Ya. [P.G. Demidov Yaroslavl State Univ., Yaroslavl (Russian Federation)

    2012-12-15

    We provide the definition of the complete set of light-cone distribution amplitudes (LCDAs) for the ground state heavy bottom baryons with the spin-parities J{sup P}=1/2{sup +} and J{sup P}=3/2{sup +} in the heavy quark limit. We present the renormalization effects on the twist-2 light-cone distribution amplitudes and use the QCD sum rules to compute the moments of twist-2, twist-3, and twist-4 LCDAs. Simple models for the heavy baryon distribution amplitudes are analyzed with account of their scale dependence.

  15. Positive ground state solutions to Schrodinger-Poisson systems with a negative non-local term

    Directory of Open Access Journals (Sweden)

    Yan-Ping Gao

    2015-04-01

    Full Text Available In this article, we study the Schrodinger-Poisson system $$\\displaylines{ -\\Delta u+u-\\lambda K(x\\phi(xu=a(x|u|^{p-1}u, \\quad x\\in\\mathbb{R}^3, \\cr -\\Delta\\phi=K(xu^{2},\\quad x\\in\\mathbb{R}^3, }$$ with $p\\in(1,5$. Assume that $a:\\mathbb{R}^3\\to \\mathbb{R^{+}}$ and $K:\\mathbb{R}^3\\to \\mathbb{R^{+}}$ are nonnegative functions and satisfy suitable assumptions, but not requiring any symmetry property on them, we prove the existence of a positive ground state solution resolved by the variational methods.

  16. Ground State Solutions for a Class of Fractional Differential Equations with Dirichlet Boundary Value Condition

    Directory of Open Access Journals (Sweden)

    Zhigang Hu

    2014-01-01

    Full Text Available In this paper, we apply the method of the Nehari manifold to study the fractional differential equation (d/dt((1/2 0Dt-β(u′(t+(1/2 tDT-β(u′(t=  f(t,u(t, a.e. t∈[0,T], and u0=uT=0, where  0Dt-β, tDT-β are the left and right Riemann-Liouville fractional integrals of order 0≤β<1, respectively. We prove the existence of a ground state solution of the boundary value problem.

  17. Parameter-free ansatz for inferring ground state wave functions of even convex potentials

    International Nuclear Information System (INIS)

    Flego, S P; Plastino, A; Plastino, A R

    2012-01-01

    Schrödinger's equation (SE) and the information-optimizing principle based on Fisher's information measure are intimately linked (Frieden et al 1999 Phys. Rev. E 60 48), which entails the existence of a Legendre transform structure underlying the SE (Flego et al 2011 J. Math. Phys. 52 082103). In this paper, we show that the existence of such a structure allows, via the virial theorem, for the formulation of a parameter-free ground state's SE ansatz for a rather large family of potentials. The parameter-free nature of the ansatz derives from the structural information it incorporates through its Legendre properties. (paper)

  18. Existence of a ground state for the confined hydrogen atom in non-relativistic QED

    International Nuclear Information System (INIS)

    Amour, Laurent; Faupin, Jeremy

    2008-01-01

    We consider a system of a hydrogen atom interacting with the quantized electromagnetic field. Instead of fixing the nucleus, we assume that the system is confined by its center of mass. This model is used in theoretical physics to explain the Lamb-Dicke effect. After a brief review of the literature, we explain how to verify some properly chosen binding conditions which lead to the existence of a ground state for our model, and for all values of the fine-structure constant

  19. Relativistic Quadrupole Polarizability for the Ground State of Hydrogen-Like Ions

    International Nuclear Information System (INIS)

    Zhang Yong-Hu; Zhang Xian-Zhou; Tang Li-Yan; Shi Ting-Yun; Mitroy Jim

    2012-01-01

    The static quadrupole polarizabilities for hydrogen-like ions from Z = 1 to Z = 100 in the 1S 1/2 ground state are calculated to high precision by solving the Dirac equation using the B-spline Galerkin method. The results are consistent with the expression of Kaneko [J. Phys. B 10 (1977) 3347] at low Z. The quadrupole oscillator strength sum Σ n f (2) gn is computed to be zero to a very high degree of precision. (atomic and molecular physics)

  20. Composite model approach to the 2He4 nucleus ground state

    International Nuclear Information System (INIS)

    Mehrotra, I.; Agarwal, B.K.

    1986-12-01

    Assuming that the nucleons are (πμ) composite systems the helium nucleus is compared to a molecule consisting of four hydrogen-like atoms where pions are like nuclei and muons are like electrons. Ground state energy of 2 He 4 nucleus has been estimated in the framework of valence-bond method. Good agreement with the experimental value can be obtained if it is assumed that μ + μ - coupling is 3% stronger than the μ ± μ ± coupling. (author). 11 refs, 1 tab

  1. Characteristics of cloud-to-ground lightning flashes along the east coast of the United States

    Science.gov (United States)

    Orville, R. E., Sr.; Pyle, R. B.; Henderson, R. W.; Orville, R. E., Jr.; Weisman, R. A.

    1985-01-01

    A magnetic direction-finding network for the detection of lightning cloud-to-ground strikes has been installed along the east coast of the United States. Most of the lightning occurring from Maine to Florida and as far west as Ohio is detected. Time, location, flash polarity, stroke count, and peak signal amplitude are recorded in real time. Flash locations, time, and polarity are displayed routinely for research and operational purposes. Flash density maps have been generated for the summers of 1983 and 1984, when the network only extended to North Carolina, and show density maxima in northern Virginia and Maryland.

  2. Ground state solutions for Choquard type equations with a singular potential

    Directory of Open Access Journals (Sweden)

    Tao Wang

    2017-02-01

    Full Text Available This article concerns the Choquard type equation $$ -\\Delta u+V(xu=\\Big(\\int_{\\mathbb{R}^N}\\frac{|u(y|^p}{|x-y|^{N-\\alpha}}dy\\Big |u|^{p-2}u,\\quad x\\in \\mathbb{R}^N, $$ where $N\\geq3$, $\\alpha\\in ((N-4_+,N$, $2\\leq p <(N+\\alpha/(N-2$ and V(x is a possibly singular potential and may be unbounded below. Applying a variant of the Lions' concentration-compactness principle, we prove the existence of ground state solution of the above equations.

  3. Ground-State Band and Deformation of the Z = 102 Isotope N 254

    International Nuclear Information System (INIS)

    Reiter, P.; Khoo, T.L.; Lister, C.J.; Seweryniak, D.; Ahmad, I.; Alcorta, M.; Carpenter, M.P.; Cizewski, J.A.; Davids, C.N.; Gervais, G.; Greene, J.P.; Henning, W.F.; Janssens, R.V.; Lauritsen, T.; Siem, S.; Sonzogni, A.A.; Sullivan, D.; Uusitalo, J.; Wiedenhoever, I.; Amzal, N.; Butler, P.A.; Chewter, A.J.; Greenlees, P.T.; Herzberg, R.; Jones, G.D.; Cizewski, J.A.; Ding, K.Y.; Fotiades, N.; Fox, J.D.; Korten, W.; Leino, M.; Vetter, K.; Siem, S.

    1999-01-01

    The ground-state band of the Z=102 isotope 254 No has been identified up to spin 14, indicating that the nucleus is deformed. The deduced quadrupole deformation, β=0.27 , is in agreement with theoretical predictions. These observations confirm that the shell-correction energy responsible for the stability of transfermium nuclei is partly derived from deformation. The survival of 254 No up to spin 14 means that its fission barrier persists at least up to that spin. copyright 1999 The American Physical Society

  4. Exact ground-state phase diagrams for the spin-3/2 Blume-Emery-Griffiths model

    Energy Technology Data Exchange (ETDEWEB)

    Canko, Osman; Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Institute of Science, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr

    2008-05-15

    We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and J<0, respectively, on the diatomic lattice and have found the conditions for the existence of uniform and intermediate or non-uniform phases. We have also constructed the exact ground-state phase diagrams of the model on the triangular lattice and found 20 and 59 fundamental phase diagrams for J>0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found.

  5. Experimental verification of Raman scattering suppression via ground state depletion for spatial resolution enhancement in label-free microscopy

    NARCIS (Netherlands)

    Rieger, S.; Fischedick, M.; Boller, Klaus J.; Fallnich, Carsten

    2016-01-01

    Resonance Raman scattering was suppressed by 50% via ground state depletion in Tris(bipyridine)ruthenium(II). This concept of Raman suppression is of high interest for enhancing the resolution of Raman microscopy to below the diffraction limit

  6. Determination of the myoglobin states in ground beef using non-invasive reflectance spectrometry and multivariate regression analysis.

    Science.gov (United States)

    Bjelanovic, Milena; Sørheim, Oddvin; Slinde, Erik; Puolanne, Eero; Isaksson, Tomas; Egelandsdal, Bjørg

    2013-11-01

    Seventy-two samples of ground beef from M. semimembranosus of two 5 and two 1.5year old animals were prepared. Two types of fat tissues from either beef or pork were added to the ground beef. The samples were prepared to contain predominantly deoxymyoglobin (DMb), oxymyoglobin (OMb) and metmyoglobin (MMb) states on surfaces using selected methods based on chemical treatment (for MMb) and oxygen pressure packaging to induce the two other states. Reflectance spectra were measured on ground beef after three storage times. Partial least regression analysis was used to make calibration models of the desired myoglobin states. Validated models using leave-one-sample out cross validation gave, after correction and normalization, prediction errors of about 5%. Long term storage of ground beef was unsuitable for preparing pure MMb states due to gradual reduction of the pigment to DMb, presumably by bacteria. Copyright © 2013 Elsevier Ltd. All rights reserved.

  7. [The smoke free movies initiative in the United States].

    Science.gov (United States)

    Lanis, Lorenzo; Terrone, Rosangela; Gorini, Giuseppe

    2003-01-01

    Movies influence fashion, lifestyles, and represent smoking as an acceptable behaviour. In fact the greatest tobacco companies built relationships with Hollywood's actors and producers, in order to show smoking and cigarette brands in films. All over the world laws have been developed, in order to restrict smoking and tobacco advertising. Films showing tobacco do not violate these laws, even in those states where tobacco advertising is restricted. Moreover, films are better than any other commercial advertisements because the audience is total unconscious of the sponsor's involvement. Stanton Glantz, Medicine Professor at San Francisco University, is the voice of the movement for smoke-free movies. A lot of studies show that cigarette smoking is more frequently in '90s movies than in 60's and 70's movies. The smoking actors seem to be attractive, strong, healthy and successful. Films showing smoking influence tomorrow's customers: adolescents. Teenagers watching "smoking films" are the most exposed to start smoking. Hence the need to educate Hollywood industry, in order to have smoke-free movies.

  8. Calculation of the ground and excited states of the Ne2 molecule by the variational cellular method

    International Nuclear Information System (INIS)

    Dias, A.M.; Rosato, A.

    1981-07-01

    The potential curves for the ground state 1 Σ + sub(g) and for the first singlet excited state 1 Σ + sub (u) of the Ne 2 molecule are determined by the Variational Cellular Method. From these curves some spectroscopical constants are obtained. Ionization energies of the excited state 1 Σ + sub (u) are calculated. (Author) [pt

  9. State-selective electron capture in collisions of ground and metastable O2+ ions with H(1s)

    International Nuclear Information System (INIS)

    Cabello, C N; Errea, L F; Fernandez, L; Mendez, L; Macias, A; Rabadan, I; Riera, A

    2003-01-01

    An ab initio calculation of the electron capture cross sections for collisions of ground and metastable states of O 2+ with H(1s) is presented. For impact energies between 0.125 and 3.4 keV amu -1 , we find good agreement between the cross sections from the ground state ion with the mixed beam experimental data of Phaneuf et al (Phaneuf A, Alvarez I, Meyer F W and Crandall D H 1982 Phys. Rev. A 26 1892)

  10. Zethrenes, Extended p -Quinodimethanes, and Periacenes with a Singlet Biradical Ground State

    KAUST Repository

    Sun, Zhe

    2014-08-19

    ConspectusResearchers have studied polycyclic aromatic hydrocarbons (PAHs) for more than 100 years, and most PAHs in the neutral state reported so far have a closed-shell electronic configuration in the ground state. However, recent studies have revealed that specific types of polycyclic hydrocarbons (PHs) could have a singlet biradical ground state and exhibit unique electronic, optical, and magnetic activities. With the appropriate stabilization, these new compounds could prove useful as molecular materials for organic electronics, nonlinear optics, organic spintronics, organic photovoltaics, and energy storage devices. However, before researchers can use these materials to design new devices, they need better methods to synthesize these molecules and a better understanding of the fundamental relationship between the structure and biradical character of these compounds and their physical properties. Their biradical character makes these compounds difficult to synthesize. These compounds are also challenging to physically characterize and require the use of various experimental techniques and theoretic methods to comprehensively describe their unique properties.In this Account, we will discuss the chemistry and physics of three types of PHs with a significant singlet biradical character, primarily developed in our group. These structures are zethrenes, Z-shaped quinoidal hydrocarbons; hydrocarbons that include a proaromatic extended p-quinodimethane unit; and periacenes, acenes fused in a peri-Arrangement. We used a variety of synthetic methods to prepare these compounds and stabilized them using both thermodynamic and kinetic approaches. We probed their ground-state structures by electronic absorption, NMR, ESR, SQUID, Raman spectroscopy, and X-ray crystallography and also performed density functional theory calculations. We investigated the physical properties of these PHs using various experimental methods such as one-photon absorption, two-photon absorption

  11. Properties of α -decay to ground and excited states of heavy nuclei

    Science.gov (United States)

    Wang, Y. Z.; Gu, J. Z.; Dong, J. M.; Peng, B. B.

    2010-05-01

    Branching ratios and half-lives of α -decay to the ground-state rotational bands as well as the high-lying excited states of even-even nuclei have been calculated in the framework of the generalized liquid drop model (GLDM) and Royer’s formula that we improved very recently. The calculation covers the isotopic chains from Ra to No in the mass regions 222 ≤ A ≤ 252 and 88 ≤ Z ≤ 102 . The agreement between the calculated results and the experimental data indicates the reliability of investigating the properties of the unfavored α -decay with our method, especially the improved Royer’s formula, which is very valuable for the analysis of experimental data. In addition, the dependence of half-lives on excitation energies of daughter nuclei has been investigated. It is shown that the influence on half-lives becomes stronger and stronger with the increase of the excitation energies.

  12. Correlated basis functions theory of light nuclei. Pt. 1. General description and ground states

    Energy Technology Data Exchange (ETDEWEB)

    Bosca, M.C.; Guardiola, R.

    1988-01-18

    The correlated basis functions theory is applied to the description of light (p-shell) nuclei. The interaction used is the Reid potential, in the V8 (central, spin, tensor and spin-orbit) and V6 (no spin-orbit term) forms. Our work includes state-dependent correlation functions, and their radial components are determined by solving the corresponding Euler-Lagrange equations with a healing condition at distance d and with a null derivative; in addition, we impose the sequential condition or the Pauli condition so as to insure convergence. We present results corresponding to the ground state of all nuclei in the p-shell. Our results present a good qualitative behaviour, but are in clear disagreement with experimental values.

  13. Magnetic ground state of Ti1-xScxFe2 system

    International Nuclear Information System (INIS)

    Saoudi, M.; Deportes, J.; Ouladdiaf, B.

    2001-01-01

    The magnetic ground states of the Laves phases Ti 1-x Sc x Fe 2 system have been investigated by means of powder neutron diffraction and magnetisation techniques. For x=0.23, a transition is observed from a collinear ferromagnet along the c-axis to a canted one at T f =200 K. For x=0.27, 0.3, 0.33, an additional first-order transition is observed at T t1 ∼120 K accompanied by a large magnetovolume anomaly associated to a jump of the magnetic moment of the Fe atoms at the 2a site. The magnetic moment instability in a frustrated lattice should be considered to interpret this transition, although most of the other magnetic states can be discussed within Moriya's theory for itinerant electron systems with competing ferromagnetic and antiferromagnetic spin fluctuations

  14. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

    International Nuclear Information System (INIS)

    Morini, Filippo; Deleuze, Michael Simon; Watanabe, Noboru; Kojima, Masataka; Takahashi, Masahiko

    2015-01-01

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b 1 , 6a 1 , 4b 2 , and 1a 2 orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A 1 , B 1 , and B 2 symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing

  15. 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.

  16. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

    Energy Technology Data Exchange (ETDEWEB)

    Morini, Filippo; Deleuze, Michael Simon, E-mail: michael.deleuze@uhasselt.be [Center of Molecular and Materials Modelling, Hasselt University, Agoralaan Gebouw D, B-3590 Diepenbeek (Belgium); Watanabe, Noboru; Kojima, Masataka; Takahashi, Masahiko [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

    2015-10-07

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

  17. Climate-driven ground-level ozone extreme in the fall over the Southeast United States.

    Science.gov (United States)

    Zhang, Yuzhong; Wang, Yuhang

    2016-09-06

    Ground-level ozone is adverse to human and vegetation health. High ground-level ozone concentrations usually occur over the United States in the summer, often referred to as the ozone season. However, observed monthly mean ozone concentrations in the southeastern United States were higher in October than July in 2010. The October ozone average in 2010 reached that of July in the past three decades (1980-2010). Our analysis shows that this extreme October ozone in 2010 over the Southeast is due in part to a dry and warm weather condition, which enhances photochemical production, air stagnation, and fire emissions. Observational evidence and modeling analysis also indicate that another significant contributor is enhanced emissions of biogenic isoprene, a major ozone precursor, from water-stressed plants under a dry and warm condition. The latter finding is corroborated by recent laboratory and field studies. This climate-induced biogenic control also explains the puzzling fact that the two extremes of high October ozone both occurred in the 2000s when anthropogenic emissions were lower than the 1980s and 1990s, in contrast to the observed decreasing trend of July ozone in the region. The occurrences of a drying and warming fall, projected by climate models, will likely lead to more active photochemistry, enhanced biogenic isoprene and fire emissions, an extension of the ozone season from summer to fall, and an increase of secondary organic aerosols in the Southeast, posing challenges to regional air quality management.

  18. $R^2$ Corrections and Non-perturbative Dualities of N=4 String ground states

    CERN Document Server

    Gregori, A; Kounnas, Costas; Obers, N A; Petropoulos, P M; Pioline, B

    1998-01-01

    We compute and analyse a variety of four-derivative gravitational terms in the effective action of six- and four-dimensional type II string ground states with N=4 supersymmetry. In six dimensions, we compute the relevant perturbative corrections for the type II string compactified on K3. In four dimensions we do analogous computations for several models with (4,0) and (2,2) supersymmetry. Such ground states are related by heterotic-type II duality or type II-type II U-duality. Perturbative computations in one member of a dual pair give a non-perturbative result in the other member. In particular, the exact CP-even R^2 coupling on the (2,2) side reproduces the tree-level term plus NS 5-brane instanton contributions on the (4,0) side. On the other hand, the exact CP-odd coupling yields the one-loop axionic interaction a.R\\wedge R together with a similar instanton sum. In a subset of models, the expected breaking of the SL(2,Z)_S S-duality symmetry to a \\Gamma(2)_S subgroup is observed on the non-perturbative th...

  19. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

    Science.gov (United States)

    Morini, Filippo; Watanabe, Noboru; Kojima, Masataka; Deleuze, Michael Simon; Takahashi, Masahiko

    2015-10-01

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b1, 6a1, 4b2, and 1a2 orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A1, B1, and B2 symmetries, which correspond to C-H stretching and H-C-H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

  20. A five states survivability model for missions with ground-to-air threats

    Science.gov (United States)

    Erlandsson, Tina; Niklasson, Lars

    2013-05-01

    Fighter pilots are exposed to the risk of getting hit by enemy fire when flying missions with ground-to-air threats. A tactical support system including a survivability model could aid the pilot to assess and handle this risk. The survivability model presented here is a Markov model with five states; Undetected, Detected, Tracked, Engaged and Hit. The output from the model is the probabilities that the aircraft is in these states during the mission. The enemy's threat systems are represented with sensor and weapon areas and the transitions between the states depend on whether or not the aircraft is within any of these areas. Contrary to previous work, the model can capture the behaviors that the enemy's sensor systems communicate and that the risk of getting hit depends on the enemy's knowledge regarding the aircraft's kinematics. The paper includes a discussion regarding the interpretation of the states and the factors that influence the transitions between the states. Further developments are also identified for using the model to aid fighter pilots and operators of unmanned aerial vehicles with planning and evaluating missions as well as analyzing the situation during flight.

  1. Lifetime measurements of the first 2+ states in 104,106Zr: Evolution of ground-state deformations

    Directory of Open Access Journals (Sweden)

    F. Browne

    2015-11-01

    Full Text Available The first fast-timing measurements from nuclides produced via the in-flight fission mechanism are reported. The lifetimes of the first 2+ states in 104,106Zr nuclei have been measured via β-delayed γ-ray timing of stopped radioactive isotope beams. An improved precision for the lifetime of the 21+ state in 104Zr was obtained, τ(21+=2.90−20+25 ns, as well as a first measurement of the 21+ state in 106Zr, τ(21+=2.60−15+20 ns, with corresponding reduced transition probabilities of B(E2;21+→0g.s.+=0.39(2 e2b2 and 0.31(1 e2b2, respectively. Comparisons of the extracted ground-state deformations, β2=0.39(1 (104Zr and β2=0.36(1 (106Zr with model calculations indicate a persistence of prolate deformation. The data show that 104Zr is the most deformed of the neutron-rich Zr isotopes measured so far.

  2. Radiative decays of ground-state qq-bar mesons in the U-tilde(12)-classification scheme of hadrons

    Energy Technology Data Exchange (ETDEWEB)

    Maeda, Tomohito; Yamada, Kenji [Nihon University, Funabashi (Japan). Junior College Funabashi Campus. Dept.of Engineering Science; Oda, Masuho [Kokushikan University, Tokyo (Japan). Faculty of Engineering; Ishida, Shin [Nihon University, Tokyo (Japan). College of Science and Technology. Research Institute of Science and Technology

    2005-07-01

    The radiative transitions between ground-states of light qq-bar mesons are investigated in the U-tilde(12)-classification scheme. In this scheme the rich decay-spectra are offered even in transition between ground states due to the appearance of 'chiral states', out of the framework of non-relativistic quark model (NRQM) based on the SU(6)-symmetry, and it is shown that these states play an important role to improve our previous results, obtained without considering them. (author)

  3. Symmetry-breaking dynamics of the finite-size Lipkin-Meshkov-Glick model near ground state

    Science.gov (United States)

    Huang, Yi; Li, Tongcang; Yin, Zhang-qi

    2018-01-01

    We study the dynamics of the Lipkin-Meshkov-Glick (LMG) model with a finite number of spins. In the thermodynamic limit, the ground state of the LMG model with an isotropic Hamiltonian in the broken phase breaks to a mean-field ground state with a certain direction. However, when the spin number N is finite, the exact ground state is always unique and is not given by a classical mean-field ground state. Here, we prove that when N is large but finite, through a tiny external perturbation, a localized state which is close to a mean-field ground state can be prepared, which mimics spontaneous symmetry breaking. Also, we find the localized in-plane spin polarization oscillates with two different frequencies ˜O (1 /N ) , and the lifetime of the localized state is long enough to exhibit this oscillation. We numerically test the analytical results and find that they agree very well with each other. Finally, we link the phenomena to quantum time crystals and time quasicrystals.

  4. Microwave Spectroscopy of Trans-Ethyl Methyl Ether in the Ground State

    Science.gov (United States)

    Kobayashi, Kaori; Sakai, Yusuke; Tsunekawa, Shozo; Miyamoto, Taihei; Fujitake, Masaharu; Ohashi, Nobukimi

    2013-06-01

    The trans-ethyl methyl ether molecule (CH_3CH_2OCH_3) has two inequivalent methyl group internal rotors which corresponds to the two vibrational motions, ν_{28} and ν_{29}. Due to these internal rotations, a rotational transition could be split into maximum five components. The skeletal torsion (ν_{30}) is another low-lying state (ν_{30}) that interacts with the ν_{28} and ν_{29} modes. The microwave spectra of the trans-ethyl methyl ether molecule in the ν_{28} = 1, ν_{29} = 1, and ν_{30} = 1, 2 and 3 have been extensively studied by using Hougen's tunneling matrix formalism. The microwave spectroscopy in the ground state was studied by several groups. The splitting due to the ν_{28} mode (C-CH_3 internal rotation) is small in the ground state and was not fully resolved in most of the previous studied rotational transitions. In this paper, we report the results of the pulsed nozzle-jet Fourier transform microwave spectroscopy so as to measure the fully resolved spectra. The submillmeter wave spectroscopy was also carried out. Our analysis including the previously reported transitions would be useful for astronomical observations. K. Kobayashi, T. Matsui, N. Mori, S. Tsunekawa, and N. Ohashi J. Mol. Spectrosc. {269}, 242 2011. K. Kobayashi, T. Matsui, S. Tsunekawa, and N. Ohashi J. Mol. Spectrosc. {255}, 164 2009. K. Kobayashi, T. Matsui, N. Mori, S. Tsunekawa, and N. Ohashi J. Mol. Spectrosc.{251}, 301 2008. K. Kobayashi, K. Murata, S. Tsunekawa, and N. Ohashi Int. Symposium on Mol. Spectrosc., 65th Meeting TH15 2010.} M. Hayashi, and K. Kuwada J. Mol. Structure {28}, 147 1975. M. Hayashi, and M. Adachi J. Mol. Structure {78}, 53 1982. S. Tsunekawa, Y. Kinai, Y. Kondo, H. Odashima, and K. Takagi Molecules {8}, 103 2003. U. Fuchs, G. Winnewisser, P. Groner, F. C. De Lucia, and E. Herbst Astrophys. J. Suppl. {144}, 277 2003.

  5. Electron impact excitation cross sections and rates from the ground state of atomic calcium

    CERN Document Server

    Samson, A M

    2001-01-01

    New R-matrix calculations are presented for electron excitation of atomic calcium. The target state expansion includes 22 states: 4s sup 2 sup 1 S; 4snl sup 1 sup , sup 3 L, where nl is 3d, 4p, 5s, 5p, 4d and 4f; 3d4p sup 1 sup , sup 3 P,D,F; and 4p sup 2 sup 3 P, sup 1 D, sup 1 S terms. The calculation is in LS coupling, and configuration interaction involving 3p subshell correlation is included. Electron impact excitation cross sections from the 4s sup 2 ground state to the next 10 states are tabulated for low energies, and thermally averaged effective collision strengths are tabulated over a range of electron temperatures from 1000 to 10,000 K. Comparisons are made with previous cross sections calculations for the 4s sup 2 -4s4p sup 3 P deg. transition; excellent agreement is found with experimentally derived rates for 4s sup 2 -4s4p sup 1 P deg

  6. Ground State versus Excited State: Discrepancy in Electronic Communication in a Series of meso-meso Two-Atom-Bridged Diporphyrins.

    Science.gov (United States)

    Zieleniewska, Anna; Harper, Shannon R; Arnold, Dennis P; Guldi, Dirk M

    2018-02-26

    The focal point of this work is the photophysical characterization of three meso-meso two-atom-bridged diporphyrins. Detailed investigations by means of cyclic voltammetry, absorption, fluorescence, and femto-/nanosecond transient absorption spectroscopy revealed the discrepancy in electronic communication in a series of meso-meso two-atom-bridged porphyrins in the ground state and in the excited state. In the ground state, the azo bridge facilitates the strongest electronic communication between the two porphyrins. In the excited state, however, the ethene bridge induces the strongest coupling, followed by the imine and azo bridges. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Ground Motion Prediction Equations for the Central and Eastern United States

    Science.gov (United States)

    Seber, D.; Graizer, V.

    2015-12-01

    New ground motion prediction equations (GMPE) G15 model for the Central and Eastern United States (CEUS) is presented. It is based on the modular filter based approach developed by Graizer and Kalkan (2007, 2009) for active tectonic environment in the Western US (WUS). The G15 model is based on the NGA-East database for the horizontal peak ground acceleration and 5%-damped pseudo spectral acceleration RotD50 component (Goulet et al., 2014). In contrast to active tectonic environment the database for the CEUS is not sufficient for creating purely empirical GMPE covering the range of magnitudes and distances required for seismic hazard assessments. Recordings in NGA-East database are sparse and cover mostly range of Mindustry (Vs=2800 m/s). The number of model predictors is limited to a few measurable parameters: moment magnitude M, closest distance to fault rupture plane R, average shear-wave velocity in the upper 30 m of the geological profile VS30, and anelastic attenuation factor Q0. Incorporating anelastic attenuation Q0 as an input parameter allows adjustments based on the regional crustal properties. The model covers the range of magnitudes 4.010 Hz) and is within the range of other models for frequencies lower than 2.5 Hz

  8. Genital Herpes - Initial Visits to Physicians' Offices, United States, 1966-2012

    Science.gov (United States)

    ... Data & Statistics Sexually Transmitted Diseases Figure 48. Genital Herpes — Initial Visits to Physicians’ Offices, United States, 1966 – ... page . NOTE : The relative standard errors for genital herpes estimates of more than 100,000 range from ...

  9. Degenerate Ground State in a Mesoscopic YBa2Cu3O

    International Nuclear Information System (INIS)

    Il'ichev, E.; Grajcar, M.; Hlubina, R.; IJsselsteijn, R. P. J.; Hoenig, H. E.; Meyer, H.-G.; Golubov, A.; Amin, M. H. S.; Zagoskin, A. M.; Omelyanchouk, A. N.

    2001-01-01

    We have measured the current-phase relationship I (var-phi) of symmetric 45 degree YBa 2 Cu 3 O 7-x grain boundary Josephson junctions. Substantial deviations of the Josephson current from conventional tunnel-junction behavior have been observed: (i) The critical current exhibits, as a function of temperature T , a local minimum at a temperature T * . (ii) At T∼T * , the first harmonic of I(var-phi) changes sign. (iii) For T * , the second harmonic of I(var-phi) is comparable to the first harmonic, and (iv) the ground state of the junction becomes degenerate. The results are in good agreement with a microscopic model of Josephson junctions between d -wave superconductors

  10. Ground state magnetization of conduction electrons in graphene with Zeeman effect

    Energy Technology Data Exchange (ETDEWEB)

    Escudero, F., E-mail: federico.escudero@uns.edu.ar [Departamento de Física, Universidad Nacional del Sur, Av. Alem 1253, B8000CPB Bahía Blanca (Argentina); Instituto de Física del Sur (IFISUR, UNS-CONICET), Av. Alem 1253, B8000CPB Bahía Blanca (Argentina); Ardenghi, J.S., E-mail: jsardenhi@gmail.com [Departamento de Física, Universidad Nacional del Sur, Av. Alem 1253, B8000CPB Bahía Blanca (Argentina); Instituto de Física del Sur (IFISUR, UNS-CONICET), Av. Alem 1253, B8000CPB Bahía Blanca (Argentina); Sourrouille, L., E-mail: lsourrouille@yahoo.es [Departamento de Física, Universidad Nacional del Sur, Av. Alem 1253, B8000CPB Bahía Blanca (Argentina); Instituto de Física del Sur (IFISUR, UNS-CONICET), Av. Alem 1253, B8000CPB Bahía Blanca (Argentina); Jasen, P., E-mail: pvjasen@uns.edu.ar [Departamento de Física, Universidad Nacional del Sur, Av. Alem 1253, B8000CPB Bahía Blanca (Argentina); Instituto de Física del Sur (IFISUR, UNS-CONICET), Av. Alem 1253, B8000CPB Bahía Blanca (Argentina)

    2017-05-01

    In this work we address the ground state magnetization in graphene, considering the Zeeman effect and taking into account the conduction electrons in the long wavelength approximation. We obtain analytical expressions for the magnetization at T=0 K, where the oscillations given by the de Haas van Alphen (dHvA) effect are present. We find that the Zeeman effect modifies the magnetization by introducing new peaks associated with the spin splitting of the Landau levels. These peaks are very small for typical carrier densities in graphene, but become more important for higher densities. The obtained results provide insight of the way in which the Zeeman effect modifies the magnetization, which can be useful to control and manipulate the spin degrees of freedom. - Highlights: • The magnetization has peaks whenever the last energy level changes discontinuously. • The peaks amplitude depends on the electron density. • The Zeeman effect introduces new peaks in the magnetization.

  11. Electronic structure analysis of the ground-state potential energy curve of Be(2).

    Science.gov (United States)

    Schmidt, Michael W; Ivanic, Joseph; Ruedenberg, Klaus

    2010-08-26

    The recently measured ground-state potential energy curve of the diatomic beryllium molecule is reproduced to within an accuracy of 20 cm(-1) by a full valence configuration interaction calculation based on augmented correlation-consistent double-, triple-, and quadruple-zeta basis sets, followed by a two-tier extrapolation to the complete basis set limit and complemented by a configuration interaction estimate of the core and core-valence correlations. The origin of binding in Be(2) as well as the unusual shape of its potential energy curve is elucidated by an in-depth analysis of the contributions of the various components of this wave function to the bonding process. Beyond the bonding region, the 6/8 London dispersion interaction is recovered.

  12. Strongly correlated quasi-one-dimensional bands: Ground states, optical absorption, and phonons

    International Nuclear Information System (INIS)

    Campbell, D.K.; Gammel, J.T.; Loh, E.Y. Jr.

    1989-01-01

    Using the Lanczos method for exact diagonalization on systems up to 14 sites, combined with a novel ''phase randomization'' technique for extracting more information from these small systems, we investigate several aspects of the one-dimensional Peierls-Hubbard Hamiltonian, in the context of trans-polyacetylene: the dependence of the ground state dimerization on the strength of the electron-electron interactions, including the effects of ''off-diagonal'' Coulomb terms generally ignored in the Hubbard model; the phonon vibrational frequencies and dispersion relations, and the optical absorption properties, including the spectrum of absorptions as a function of photon energy. These three different observables provide considerable insight into the effects of electron-electron interactions on the properties of real materials and thus into the nature of strongly correlated electron systems. 29 refs., 11 figs

  13. A Continuous Family of Equilibria in Ferromagnetic Media are Ground States

    Science.gov (United States)

    Su, Xifeng; de la Llave, Rafael

    2017-09-01

    We show that a foliation of equilibria (a continuous family of equilibria whose graph covers all the configuration space) in ferromagnetic transitive models are ground states. The result we prove is very general, and it applies to models with long range and many-body interactions. As an application, we consider several models of networks of interacting particles including models of Frenkel-Kontorova type on Z^d and one-dimensional quasi-periodic media. The result above is an analogue of several results in the calculus of variations (fields of extremals) and in PDE's. Since the models we consider are discrete and long range, new proofs need to be given. We also note that the main hypothesis of our result (the existence of foliations of equilibria) is the conclusion (using KAM theory) of several recent papers. Hence, we obtain that the KAM solutions recently established are minimizers when the interaction is ferromagnetic and transitive (these concepts are defined later).

  14. Ground state of graphene in the presence of random charged impurities.

    Science.gov (United States)

    Rossi, Enrico; Das Sarma, S

    2008-10-17

    We calculate the carrier-density-dependent ground-state properties of graphene in the presence of random charged impurities in the substrate taking into account disorder and interaction effects nonperturbatively on an equal footing in a self-consistent theoretical formalism. We provide detailed quantitative results on the dependence of the disorder-induced spatially inhomogeneous two-dimensional carrier density distribution on the external gate bias, the impurity density, and the impurity location. We find that the interplay between disorder and interaction is strong, particularly at lower impurity densities. We show that, for the currently available typical graphene samples, inhomogeneity dominates graphene physics at low (< or approximately 10(12) cm(-2)) carrier density with the density fluctuations becoming larger than the average density.

  15. Search of molecular ground state via genetic algorithm: Implementation on a hybrid SIMD-MIMD platform

    International Nuclear Information System (INIS)

    Pucello, N.; D'Agostino, G.; Pisacane, F.

    1997-01-01

    A genetic algorithm for the optimization of the ground-state structure of a metallic cluster has been developed and ported on a SIMD-MIMD parallel platform. The SIMD part of the parallel platform is represented by a Quadrics/APE100 consisting of 512 floating point units, while the MIMD part is formed by a cluster of workstations. The proposed algorithm is composed by a part where the genetic operators are applied to the elements of the population and a part which performs a further local relaxation and the fitness calculation via Molecular Dynamics. These parts have been implemented on the MIMD and on the SIMD part, respectively. Results have been compared to those generated by using Simulated Annealing

  16. Finite-element solution of the Schroedinger equation for the helium ground state

    International Nuclear Information System (INIS)

    Levin, F.S.; Shertzer, J.

    1985-01-01

    The finite-element method has been used to obtain numerical solutions to the Schroedinger equation for the ground state of the helium atom. In contrast to the globally defined trial functions of the standard variational approach, the finite-element algorithm employs locally defined interpolation functions to approximate the unknown wave function. The calculation reported herein used a three-dimensional grid containing nine nodal points along the radial coordinates of the two electrons and four nodal points along the direction corresponding to the cosine of the interelectronic angle. This produced an energy of -2.9032 a.u., which lies 0.017% above the Frankowski-Pekeris value. The values of , for n = -2,-1, 1, and 2, are closer to those of Frankowski and Pekeris than from all of the variational calculations with the exception of the calculation performed by Weiss, whose energy and values are comparable to those of the finite-element computation

  17. Few-parameter exponentially correlated wavefunctions for the ground state of lithium

    Science.gov (United States)

    Albert, Victor V.; Guevara, Nicolais L.; Sabin, John R.; Harris, Frank E.

    Compact, but relatively accurate wavefunctions for the ground state of the Li atom were obtained through the use of a limited basis of exponentially correlated functions with optimized nonlinear parameters. In contrast to our earlier work, the basis contains pre-exponential factors that improve the rate of convergence of the basis-set expansion. The matrix elements needed in the present work were evaluated analytically using recursive methods reported recently by one of us; a check on the programming was provided by comparison with numerical evaluations carried out by Turbiner and Guevara. The rate of convergence of the expansion is compared with those of Hylleraas-basis computations, and a comparison is also made with exponentially correlated studies of He-like systems.

  18. Classical ground states of Heisenberg and X Y antiferromagnets on the windmill lattice

    Science.gov (United States)

    Jeevanesan, Bhilahari; Orth, Peter P.

    2014-10-01

    We investigate the classical Heisenberg and planar (X Y ) spin models on the windmill lattice. The windmill lattice is formed out of two widely occurring lattice geometries: a triangular lattice is coupled to its dual honeycomb lattice. Using a combination of iterative minimization, heat-bath Monte Carlo simulations, and analytical calculations, we determine the complete ground-state phase diagram of both models and find the exact energies of the phases. The phase diagram shows a rich phenomenology due to competing interactions and hosts, in addition to collinear and various coplanar phases, also intricate noncoplanar phases. We briefly outline different paths to an experimental realization of these spin models. Our extensive study provides a starting point for the investigation of quantum and thermal fluctuation effects.

  19. Analysis spectral shapes from California and central United States ground motion

    International Nuclear Information System (INIS)

    1994-01-01

    The objective of this study is to analyze the spectral shapes from earthquake records with magnitudes and distances comparable to those that dominate seismic hazard at Oak Ridge, in order to provide guidance for the selection of site-specific design-spectrum shapes for use in Oak Ridge. The authors rely heavily on California records because the number of relevant records from the central and eastern United States (CEUS) is not large enough for drawing statistically significant conclusions. They focus on the 0.5 to 10-Hz frequency range for two reasons: (1) this is the frequency range of most engineering interest, and (2) they avoid the effect of well-known differences in the high-frequency energy content between California and CEUS ground motions

  20. Prediction of new ground-state crystal structure of T a2O5

    Science.gov (United States)

    Yang, Yong; Kawazoe, Yoshiyuki

    2018-03-01

    Tantalum pentoxide (T a2O5 ) is a wide-gap semiconductor which has important technological applications. Despite the enormous efforts from both experimental and theoretical studies, the ground-state crystal structure of T a2O5 is not yet uniquely determined. Based on first-principles calculations in combination with evolutionary algorithm, we identify a triclinic phase of T a2O5 , which is energetically much more stable than any phases or structural models reported previously. Characterization of the static and dynamical properties of the phase reveals the common features shared with previous metastable phases of T a2O5 . In particular, we show that the d spacing of ˜3.8 Å found in the x-ray diffraction patterns of many previous experimental works is actually the radius of the second Ta-Ta coordination shell as defined by radial distribution functions.

  1. Ground state and magnetic phase transitions of orthoferrite DyFeO3

    Science.gov (United States)

    Zhao, Z. Y.; Zhao, X.; Zhou, H. D.; Zhang, F. B.; Li, Q. J.; Fan, C.; Sun, X. F.; Li, X. G.

    2014-06-01

    Low-temperature thermal conductivity (κ), as well as magnetization (M) and electric polarization (P), of multiferroic orthoferrite DyFeO3 single crystals are studied with H ∥c. When the crystal is cooled in zero field, M, P, and κ all consistently exhibit irreversible magnetic-field dependencies. In particular, with 500 mK ultra-low-T (T mK) κ (H) shows a different irreversibility and there is only one transition when the field is swept both up and down. All the results indicate a complex low-T H-T phase diagram involving successive magnetic phase transitions of the Fe3+ spins. In particular, the ground state, obtained with cooling to sub-Kelvin temperatures in zero field, is found to be an unexplored phase.

  2. EnviroAtlas - Below Ground Live Tree Biomass Carbon Storage for the Conterminous United States- Forested

    Science.gov (United States)

    This EnviroAtlas dataset includes the average below ground live tree root dry biomass estimate for the Watershed Boundary Dataset (WBD) 12-digit Hydrologic Unit (HUC) in kg/m from the 2000 National Biomass and Carbon Dataset developed by the Woods Hole Research Center. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).

  3. The ground state properties of spin-aligned atomic hydrogen, deuterium, and tritium

    Science.gov (United States)

    Etters, R. D.; Dugan, J. V., Jr.; Palmer, R. W.

    1975-01-01

    The internal energy, pressure, and compressibility of ground-state, spin-aligned atomic hydrogen, deuterium, and tritium are calculated assuming that all pair interactions occur via the atomic triplet (spin-aligned) potential. The conditions required to obtain atomic hydrogen and its isotopes in bulk are discussed; such a development would be of value in propulsion systems because of the light mass and energetic recombination of atomic hydrogen. Results show that atomic triplet hydrogen and deuterium remain gaseous at 0 K, and that tritium forms a liquid with a binding energy of approximately -0.75 K per atom at a molar volume of 130 cu cm per mole. The pair distribution function for these systems is calculated, and the predicted superfluid behavior of atomic triplet hydrogen and tritium is briefly discussed.

  4. Untangling complex networks: Risk minimization in financial markets through accessible spin glass ground states

    Science.gov (United States)

    Lisewski, Andreas Martin; Lichtarge, Olivier

    2010-08-01

    Recurrent international financial crises inflict significant damage to societies and stress the need for mechanisms or strategies to control risk and tamper market uncertainties. Unfortunately, the complex network of market interactions often confounds rational approaches to optimize financial risks. Here we show that investors can overcome this complexity and globally minimize risk in portfolio models for any given expected return, provided the margin requirement remains below a critical, empirically measurable value. In practice, for markets with centrally regulated margin requirements, a rational stabilization strategy would be keeping margins small enough. This result follows from ground states of the random field spin glass Ising model that can be calculated exactly through convex optimization when relative spin coupling is limited by the norm of the network’s Laplacian matrix. In that regime, this novel approach is robust to noise in empirical data and may be also broadly relevant to complex networks with frustrated interactions that are studied throughout scientific fields.

  5. Orbital physics in sulfur spinels: ordered, liquid and glassy ground states

    International Nuclear Information System (INIS)

    Buettgen, N; Hemberger, J; Fritsch, V; Krimmel, A; Muecksch, M; Nidda, H-A Krug von; Lunkenheimer, P; Fichtl, R; Tsurkan, V; Loidl, A

    2004-01-01

    Measurements of magnetization M(T, H), heat capacity C(T), NMR lineshift K(T) and linewidth Δ(T), neutron scattering S(Q, ω, T) and broadband dielectric spectroscopy ε(ω, T) provide experimental evidence of the different orbital ground states in the cubic sulfur spinels under investigation. In all compounds, the tetrahedrally coordinated Jahn-Teller ions Fe 2+ are characterized by a degeneracy of the orbital degrees of freedom. Particularly, we found a long-range orbital ordering in polycrystalline (PC) FeCr 2 S 4 , and a glassy freezing of the orbital degrees of freedom in FeCr 2 S 4 (single crystals) (SCs). In contrast, FeSc 2 S 4 belongs to the rare class of spin-orbital liquids, where quantum fluctuations accompanying the glassy freezing of the orbitals suppress long-range magnetic order

  6. Long-range interactions of excited He atoms with ground-state noble-gas atoms

    KAUST Repository

    Zhang, J.-Y.

    2013-10-09

    The dispersion coefficients C6, C8, and C10 for long-range interactions of He(n1,3S) and He(n1,3P), 2≤n≤10, with the ground-state noble-gas atoms Ne, Ar, Kr, and Xe are calculated by summing over the reduced matrix elements of multipole transition operators. The large-n expansions for the sums over the He oscillator strength divided by the corresponding transition energy are presented for these series. Using the expansions, the C6 coefficients for the systems involving He(131,3S) and He(131,3P) are calculated and found to be in good agreement with directly calculated values.

  7. Deformed ground states and double backbending at high spins in light Kr isotopes

    CERN Document Server

    Hamilton, J H; Cleemann, L; Döring, J; Eberth, J; Frauendorf, S; Funke, L; Heck, T; Kim, H J; Lin, J; Maguire, C F; Neumann, W; Nolte, M; Piercey, R B; Ramayya, A V; Rester, A C; Robinson, R L; Roth, J; Soundranayagam, R; Sun, X J; Wells, J C; Winter, G; Zhao, Z Z

    1981-01-01

    The energy levels in /sup 74,76/Kr have been studied with a range of in-beam, gamma -spectroscopy techniques following heavy-ion reactions and in /sup 76/Kr via the radioactive decay of /sup 76/Rb. Breaks in the level energies and moments of inertia in /sup 74,76/Kr are observed at low spins. These data can be understood in terms of the crossing of bands built on near-spherical and deformed shapes with the ground states having very large deformation. In /sup 74/Kr the yrast cascade is observed to a tentative 20/sup +/ level. Double backbending of J is observed at spins of 12/sup +/ and 16/sup +/. These changes are interpreted in terms of rotation-aligned structures. (17 refs).

  8. Study of some electronics properties of new superconductor Sr2VO3FeAs in ground state

    Directory of Open Access Journals (Sweden)

    M Majidiyan

    2010-09-01

    Full Text Available In this paper, some electronics properties of new superconductor Sr2VO3FeAs, such as density of states, band structure, density of electron cloud and bound lengths in the ground state have been calculated. According to N(Ef in ground state CV/T value has been estimated. The calculations were performed in the framework of density functional theory (DFT, using the full potential linearized augmented plane wave (FP-LAPW method with the general gradient approximation (GGA.

  9. Femtosecond stimulated Raman spectroscopy as a tool to detect molecular vibrations in ground and excited electronic states

    Energy Technology Data Exchange (ETDEWEB)

    Gelin, Maxim F.; Domcke, Wolfgang [Department of Chemistry, Technische Universität München, D-85747 Garching (Germany); Rao, B. Jayachander [Departamento de Química and Centro de Química, Universidade de Coimbra, 3004-535 Coimbra (Portugal)

    2016-05-14

    We give a detailed theoretical analysis of the simplest variant of femtosecond stimulated Raman spectroscopy, where a picosecond Raman pump pulse and a femtosecond Raman probe pulse are applied resonantly to a chromophore in thermal equilibrium in the ground electronic state. We demonstrate that this technique is capable of the detection of dephasing-free Raman-like lines revealing vibrational modes not only in the electronic ground state but also in the excited electronic state of the chromophore. The analytical results obtained with simplifying assumptions for the shape of the laser pulses are substantiated by numerical simulations with realistic laser pulses, employing the equation-of-motion phase-matching approach.

  10. Ground-State Wave Function with Interactions between Different Species in M-Component Miscible Bose-Einstein Condensates

    Science.gov (United States)

    Kohno, Wataru; Kirikoshi, Akimitsu; Kita, Takafumi

    2018-03-01

    We construct a variational ground-state wave function of weakly interacting M-component Bose-Einstein condensates beyond the mean-field theory by incorporating the dynamical 3/2-body processes, where one of the two colliding particles drops into the condensate and vice versa. Our numerical results with various masses and particle numbers show that the 3/2-body processes between different particles make finite contributions to lowering the ground-state energy, implying that many-body correlation effects between different particles are essential even in the weak-coupling regime of the Bose-Einstein condensates. We also consider the stability condition for 2-component miscible states using the new ground-state wave function. Through this calculation, we obtain the relation UAB2/UAAUBB originates from the 3/2- and 2-body processes.

  11. Carotenoid deactivation in an artificial light-harvesting complex via a vibrationally hot ground state

    Science.gov (United States)

    Savolainen, Janne; Buckup, Tiago; Hauer, Jürgen; Jafarpour, Aliakbar; Serrat, Carles; Motzkus, Marcus; Herek, Jennifer L.

    2009-02-01

    Ultrafast relaxation of a carotenoid in an artificial light-harvesting complex has been studied by transient absorption spectroscopy. The transient signal amplitudes at several wavelengths as well as the amplitudes of the underlying species associated spectra (SAS) are analysed for several excitation energies ranging over more than two orders of magnitude (10 nJ/pulse up to 3000 nJ/pulse). Our analysis shows that the contribution from the so-called S ∗ signal on the long-wavelength side of the first allowed S 0 → S 2 transition has a markedly different excitation energy dependence and saturation behaviour than the electronic excited state S 1. These observations are modelled and explained in terms of a two-photon excitation of a vibrationally hot ground state via an impulsive stimulated Raman scattering (ISRS). The experimental observations of the varying pulse energy dependencies of different excited state species are supported by an analysis based on a density-matrix formalism.

  12. Carotenoid deactivation in an artificial light-harvesting complex via a vibrationally hot ground state

    Energy Technology Data Exchange (ETDEWEB)

    Savolainen, Janne [Optical Sciences Group, Department of Science and Technology, MESA Institute for Nanotechnology, University of Twente, 7500 AE Enschede (Netherlands)], E-mail: janne.savolainen71@gmail.com; Buckup, Tiago [Physikalische Chemie, Fachbereich Chemie, Philipps-Universitaet, D-35032 Marburg (Germany); Hauer, Juergen [Institut fuer Physikalische Chemie, Universitaet Wien, A-1090 Vienna (Austria); Jafarpour, Aliakbar [Optical Sciences Group, Department of Science and Technology, MESA Institute for Nanotechnology, University of Twente, 7500 AE Enschede (Netherlands); Serrat, Carles [Tecnologies Digitals i de la Informacio, Universitat de Vic, E-08500 Vic (Spain); Motzkus, Marcus [Physikalische Chemie, Fachbereich Chemie, Philipps-Universitaet, D-35032 Marburg (Germany); Herek, Jennifer L. [Optical Sciences Group, Department of Science and Technology, MESA Institute for Nanotechnology, University of Twente, 7500 AE Enschede (Netherlands)

    2009-02-23

    Ultrafast relaxation of a carotenoid in an artificial light-harvesting complex has been studied by transient absorption spectroscopy. The transient signal amplitudes at several wavelengths as well as the amplitudes of the underlying species associated spectra (SAS) are analysed for several excitation energies ranging over more than two orders of magnitude (10 nJ/pulse up to 3000 nJ/pulse). Our analysis shows that the contribution from the so-called S* signal on the long-wavelength side of the first allowed S{sub 0} {yields} S{sub 2} transition has a markedly different excitation energy dependence and saturation behaviour than the electronic excited state S{sub 1}. These observations are modelled and explained in terms of a two-photon excitation of a vibrationally hot ground state via an impulsive stimulated Raman scattering (ISRS). The experimental observations of the varying pulse energy dependencies of different excited state species are supported by an analysis based on a density-matrix formalism.

  13. 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.

  14. Competition of ground states in URu2Si2 and UCoGe

    International Nuclear Information System (INIS)

    Hassinger, E.

    2010-10-01

    In this thesis, two uranium based heavy fermion compounds are studied under pressure. URu2Si2 has a mysterious ground state below T0 = 17.5 K at ambient pressure. The order parameter has not been identified yet which led to the name 'hidden order' (HO). In addition, below 1.5 K the system becomes superconducting. With pressure, the ground state switches from the HO phase to an antiferromagnetic (AF) phase at a critical pressure and superconductivity is concomitantly suppressed. Shubnikov-de Haas measurements under pressure show that the Fermi surface doesn't change between the two phases. The folding of the Fermi surface which occurs in the high pressure AF phase therefore already happens in the HO phase, indicating a unit cell doubling. Our measurements of the complete angular dependence of the oscillation frequencies test the electronic structure and support new theoretical band structure calculations with rather itinerant 5f electrons. The second part of my research focuses on another uranium compound, UCoGe. It is one of the few known materials where superconductivity (Tsc = 0.6 K) coexists with ferromagnetism (T Curie = 2.8 K). Precise studies of the pressure phase diagram by resistivity, ac calorimetry and ac susceptibility show that the ferromagnetic phase is suppressed at a pressure of about 1 GPa and the superconducting phase extends into the paramagnetic phase induced by pressure. When ferromagnetism is suppressed to the superconducting transition no further distinct ferromagnetic anomalies are observed. Thus, the pressure phase diagram of UCoGe is unique in the class of ferromagnetic superconductors. (author)

  15. The B(E2) value of the first-excited to ground-state transition in 49Ti

    International Nuclear Information System (INIS)

    Mando, P.A.; Sona, P.; Taccetti, N.; Liberati, G.

    1978-01-01

    The B(E2) value of the 1381 keV transition connecting the J=3/2 - first excited state to the J=7/2 - ground state in 49 Ti has been determined by means of Coulomb excitation measurements. The value obtained is B(E2)=(33.5+- 4.5) e 2 fm 4

  16. Calculation of the ground and excited states of the Ne2 molecule by the Variational Cellular Method

    International Nuclear Information System (INIS)

    Dias, A.M.; Rosato, A.

    1982-01-01

    The potential curves for the ground 1 μ + sub(g) and for the first singlet excited state 1 μ + sub(u) of the Ne 2 molecule are determined by the Variational Cellular Method. From these curves some spectroscopical constants are obtained. Ionization energies of the excited state 1 μ + sub(u) are calculated. (Author) [pt

  17. Ground Water Atlas of the United States: Segment 7, Idaho, Oregon, Washington

    Science.gov (United States)

    Whitehead, R.L.

    1994-01-01

    The States of Idaho, Oregon, and Washington, which total 248,730 square miles, compose Segment 7 of this Atlas. The area is geologically and topographically diverse and contains a wealth of scenic beauty, natural resources, and ground and surface water that generally are suitable for all uses. Most of the area of Segment 7 is drained by the Columbia River, its tributaries, and other streams that discharge to the Pacific Ocean. Exceptions are those streams that flow to closed basins in southeastern Oregon and northern Nevada and to the Great Salt Lake in northern Utah. The Columbia River is one of the largest rivers in the Nation. The downstream reach of the Columbia River forms most of the border between Oregon and Washington. In 1990, Idaho, Oregon, and Washington had populations of 1.0 million, 2.8 million, and 4.9 million, respectively. The more densely populated parts are in lowland areas and stream valleys. Many of the mountains, the deserts, and the upland areas of Idaho, Oregon, and Washington lack major population centers. Large areas of Idaho and Oregon are uninhabited and are mostly public land (fig. 1) where extensive ground-water development is restricted. Surface water is abundant in Idaho, Oregon, and Washington, though not always available when and where needed. In some places, surface water provides much of the water used for public-supply, domestic and commercial, agricultural (primarily irrigation and livestock watering), and industrial purposes. In arid parts of Segment 7, however, surface water has long been fully appropriated, chiefly for irrigation. Ground water is used when and where surface-water supplies are lacking. Ground water is commonly available to shallow wells that are completed in unconsolidated-deposit aquifers that consist primarily of sand and gravel but contain variable quantities of clay and silt. Many large-yield public-supply and irrigation wells and thousands of domestic wells are completed in these types of aquifers

  18. Probing ground and low-lying excited states for HIO{sub 2} isomers

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Gabriel L. C. de [Departamento de Química, Universidade Federal de Mato Grosso, Cuiabá, Mato Grosso 78060-900 (Brazil); Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas, Itacoatiara, Amazonas 69100-000 (Brazil); Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Brown, Alex, E-mail: alex.brown@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada)

    2014-12-21

    We present a computational study on HIO{sub 2} molecules. Ground state properties such as equilibrium structures, relative energetics, vibrational frequencies, and infrared intensities were obtained for all the isomers at the coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)) level of theory with the aug-cc-pVTZ-PP basis set and ECP-28-PP effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. The HOIO structure is confirmed as the lowest energy isomer. The relative energies are shown to be HOIO < HOOI < HI(O)O. The HO(O)I isomer is only stable at the density functional theory (DFT) level of theory. The transition states determined show interconversion of the isomers is possible. In order to facilitate future experimental identification, vibrational frequencies are also determined for all corresponding deuterated species. Vertical excitation energies for the three lowest-lying singlet and triplet excited states were determined using the configuration interaction singles, time-dependent density functional theory (TD-DFT)/B3LYP, TD-DFT/G96PW91, and equation of motion-CCSD approaches with the LANL2DZ basis set plus effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. It is shown that HOIO and HOOI isomers have excited states accessible at solar wavelengths (<4.0 eV) but these states have very small oscillator strengths (<2 × 10{sup −3})

  19. The Common Core State Standards Initiative: An Event History Analysis of State Adoption

    Science.gov (United States)

    LaVenia, Mark; Cohen-Vogel, Lora; Lang, Laura B.

    2015-01-01

    Today, with states' near-universal adoption of the Common Core State Standards, the political system has achieved that which was not possible less than 2 decades ago. Just why this is so remains unanswered. Some observers have attributed states' embrace of the standards to the substantial financial incentives that the federal government embedded…

  20. Three-body problem in d-dimensional space: Ground state, (quasi)-exact-solvability

    Science.gov (United States)

    Turbiner, Alexander V.; Miller, Willard; Escobar-Ruiz, M. A.

    2018-02-01

    As a straightforward generalization and extension of our previous paper [A. V. Turbiner et al., "Three-body problem in 3D space: Ground state, (quasi)-exact-solvability," J. Phys. A: Math. Theor. 50, 215201 (2017)], we study the aspects of the quantum and classical dynamics of a 3-body system with equal masses, each body with d degrees of freedom, with interaction depending only on mutual (relative) distances. The study is restricted to solutions in the space of relative motion which are functions of mutual (relative) distances only. It is shown that the ground state (and some other states) in the quantum case and the planar trajectories (which are in the interaction plane) in the classical case are of this type. The quantum (and classical) Hamiltonian for which these states are eigenfunctions is derived. It corresponds to a three-dimensional quantum particle moving in a curved space with special d-dimension-independent metric in a certain d-dependent singular potential, while at d = 1, it elegantly degenerates to a two-dimensional particle moving in flat space. It admits a description in terms of pure geometrical characteristics of the interaction triangle which is defined by the three relative distances. The kinetic energy of the system is d-independent; it has a hidden sl(4, R) Lie (Poisson) algebra structure, alternatively, the hidden algebra h(3) typical for the H3 Calogero model as in the d = 3 case. We find an exactly solvable three-body S3-permutationally invariant, generalized harmonic oscillator-type potential as well as a quasi-exactly solvable three-body sextic polynomial type potential with singular terms. For both models, an extra first order integral exists. For d = 1, the whole family of 3-body (two-dimensional) Calogero-Moser-Sutherland systems as well as the Tremblay-Turbiner-Winternitz model is reproduced. It is shown that a straightforward generalization of the 3-body (rational) Calogero model to d > 1 leads to two primitive quasi

  1. Excited state and ground state proton transfer rates of 3-hydroxyflavone and its derivatives studied by shpol'skii spectroscopy: The influence of redistribution of electron density

    NARCIS (Netherlands)

    Bader, A.N.; Pivovarenko, V.; Demchenko, A.P.; Ariese, F.; Gooijer, C.

    2004-01-01

    We studied the mechanisms of excited-state intramolecular proton transfer (ESIPT) and ground-state back proton transfer (BPT) in 3-hydroxyflavone (3HF) at cryogenic temperatures. The focus was on substituents that change the distribution of electronic density on the chromophore and their influence

  2. Ground-state magneto-optical resonances in cesium vapor confined in an extremely thin cell

    International Nuclear Information System (INIS)

    Andreeva, C.; Cartaleva, S.; Petrov, L.; Slavov, D.; Atvars, A.; Auzinsh, M.; Blush, K.

    2007-01-01

    Experimental and theoretical studies are presented related to the ground-state magneto-optical resonance observed in cesium vapor confined in an extremely thin cell (ETC), with thickness equal to the wavelength of the irradiating light. It is shown that utilization of the ETC allows one to examine the formation of a magneto-optical resonance on the individual hyperfine transitions, thus distinguishing processes resulting in dark (reduced absorption) or bright (enhanced absorption) resonance formation. We report experimental evidence of bright magneto-optical resonance sign reversal in Cs atoms confined in an ETC. A theoretical model is proposed based on the optical Bloch equations that involves the elastic interaction processes of atoms in the ETC with its walls, resulting in depolarization of the Cs excited state, which is polarized by the exciting radiation. This depolarization leads to the sign reversal of the bright resonance. Using the proposed model, the magneto-optical resonance amplitude and width as a function of laser power are calculated and compared with the experimental ones. The numerical results are in good agreement with those of experiment

  3. Noncollinear ferrimagnetic ground state in Ni(NO3)2

    Science.gov (United States)

    Volkova, O. S.; Mazurenko, V. V.; Solovyev, I. V.; Deeva, E. B.; Morozov, I. V.; Lin, J.-Y.; Wen, C. K.; Chen, J. M.; Abdel-Hafiez, M.; Vasiliev, A. N.

    2014-10-01

    Both spin-liquid and magnetically ordered phases of both half-integer and integer low-spin quantum magnets are of interest, since the magnetic structures found in the latter case usually have no classical counterparts. Such a magnetic structure was found in a combined experimental and theoretical study of the integer spin system Ni(NO3)2. Our thermodynamic measurements have revealed a magnetically ordered phase with small spontaneous magnetization at TC = 5.5K. The magnetization saturation of about 2μB at low temperatures corresponds to the high-spin state (S = 1) of Ni2+ ions evidenced in L2,3 edges in x-ray absorption spectroscopy spectra. We show that a consistent description of the available data is possible within a noncollinear umbrella-type ferrimagnetic ground state model for which both intra- and interlayer magnetic interactions should be antiferromagnetic. Such a scenario is suggested by the first-principles and model calculations.

  4. Magnetic ground state of the Ising-like antiferromagnet DyScO3

    Science.gov (United States)

    Wu, L. S.; Nikitin, S. E.; Frontzek, M.; Kolesnikov, A. I.; Ehlers, G.; Lumsden, M. D.; Shaykhutdinov, K. A.; Guo, E.-J.; Savici, A. T.; Gai, Z.; Sefat, A. S.; Podlesnyak, A.

    2017-10-01

    We report on the low-temperature magnetic properties of the DyScO3 perovskite, which were characterized by means of single crystal and powder neutron scattering, and by magnetization measurements. Below TN=3.15 K, Dy3 + moments form an antiferromagnetic structure with an easy axis of magnetization lying in the a b plane. The magnetic moments are inclined at an angle of ˜±28∘ to the b axis. We show that the ground-state Kramers doublet of Dy3 + is made up of primarily |±15 /2 〉 eigenvectors and well separated by a crystal field from the first excited state at E1=24.9 meV. This leads to an extreme Ising single-ion anisotropy, M⊥/M∥˜0.05 . The transverse magnetic fluctuations, which are proportional to M⊥2/M∥2 , are suppressed, and only moment fluctuations along the local Ising direction are allowed. We also found that the Dy-Dy dipolar interactions along the crystallographic c axis are two to four times larger than in-plane interactions.

  5. Evidence of spontaneous vortex ground state in an iron-based ferromagnetic superconductor

    Science.gov (United States)

    Jiao, Wen-He; Tao, Qian; Ren, Zhi; Liu, Yi; Cao, Guang-Han

    2017-09-01

    Spontaneous vortex phase (SVP) is an exotic quantum matter in which quantized superconducting vortices form in the absence of external magnetic field. Although being predicted theoretically nearly 40 years ago, its rigorous experimental verification still appears to be lacking. Here we present low-field magnetic measurements on single crystals of the iron-based ferromagnetic superconductor Eu(Fe0.91Rh0.09)2As2 which undergoes a superconducting transition at Tsc = 19.6 K followed by a magnetic transition at Tm = 16.8 K. We observe a characteristic first-order transition from a Meissner state within Tm < T < Tsc to an SVP below Tm, under a magnetic field approaching zero. Additional isothermal magnetization and ac magnetic susceptibility measurements at T ≪Tsc confirm that the system is intrinsically in a spontaneous-vortex ground state. The unambiguous demonstration of SVP in the title material lays a solid foundation for future imaging and spectroscopic studies on this intriguing quantum matter.

  6. Global potential energy surface of ground state singlet spin O4

    Science.gov (United States)

    Mankodi, Tapan K.; Bhandarkar, Upendra V.; Puranik, Bhalchandra P.

    2018-02-01

    A new global potential energy for the singlet spin state O4 system is reported using CASPT2/aug-cc-pVTZ ab initio calculations. The geometries for the six-dimensional surface are constructed using a novel point generation scheme that employs randomly generated configurations based on the beta distribution. The advantage of this scheme is apparent in the reduction of the number of required geometries for a reasonably accurate potential energy surface (PES) and the consequent decrease in the overall computational effort. The reported surface matches well with the recently published singlet surface by Paukku et al. [J. Chem. Phys. 147, 034301 (2017)]. In addition to the O4 PES, the ground state N4 PES is also constructed using the point generation scheme and compared with the existing PES [Y. Paukku et al., J. Chem. Phys. 139, 044309 (2013)]. The singlet surface is constructed with the aim of studying high energy O2-O2 collisions and predicting collision induced dissociation cross section to be used in simulating non-equilibrium aerothermodynamic flows.

  7. Going beyond Kohn and Sham (KS): determining accurate ground and first excited states

    Science.gov (United States)

    Ferreira, Luiz; Marques, Marcelo; Teles, Lara; Pela, Ronaldo

    2013-03-01

    The Total energy in KS is written as E =1/2 ∑ ∫ ∇ψ* . ∇ ψ +1/2 ∫∑ψ*/ψ (r) ∑ψ* ψ (r') (r -r') + ∫ ∑ψ* ψVnuclei + Exc The KS procedure continues by minimizing the energy with respect the wavefunctions ψ. The equation for the wave functions is similar to the one-particle Schroedinger equation. In our talk we will present results obtained in the following way: we add an external potential Vadd to the nuclei potential Vnuclei and, after the calculation is completed, we subtract what we added, namely. - ∫ ∑ψ* ψVadd . The result is a calculation according to the Eq. above but with wavefunctions not satisfying the KS equations. If the exchange-correlation term were reliable one would expect that the calculated energy would be larger than the KS energy. The added potential Vadd is what is being used in the LDA-1/2 method and is dependent on a cut-off parameter C. Making the extremization of the total energy with respect to C we obtain (1) a point of maximum, which frequently will be shown to be the first excited state, (2) a minimum, with an energy lower than the KS (C = 0) ground state and with improved lattice parameter.

  8. Realization of ground state in artificial kagome spin ice via topological defect-driven magnetic writing

    Science.gov (United States)

    Gartside, Jack C.; Arroo, Daan M.; Burn, David M.; Bemmer, Victoria L.; Moskalenko, Andy; Cohen, Lesley F.; Branford, Will R.

    2018-01-01

    Arrays of non-interacting nanomagnets are widespread in data storage and processing. As current technologies approach fundamental limits on size and thermal stability, enhancing functionality through embracing the strong interactions present at high array densities becomes attractive. In this respect, artificial spin ices are geometrically frustrated magnetic metamaterials that offer vast untapped potential due to their unique microstate landscapes, with intriguing prospects in applications from reconfigurable logic to magnonic devices or hardware neural networks. However, progress in such systems is impeded by the inability to access more than a fraction of the total microstate space. Here, we demonstrate that topological defect-driven magnetic writing—a scanning probe technique—provides access to all of the possible microstates in artificial spin ices and related arrays of nanomagnets. We create previously elusive configurations such as the spin-crystal ground state of artificial kagome dipolar spin ices and high-energy, low-entropy `monopole-chain' states that exhibit negative effective temperatures.

  9. On the calculation of quantum mechanical ground states from classical geodesic motion on certain spaces of constant negative curvature

    International Nuclear Information System (INIS)

    Tomaschitz, R.

    1989-01-01

    We consider geodesic motion on three-dimensional Riemannian manifolds of constant negative curvature, topologically equivalent to S x ]0,1[, S a compact surface of genus two. To those trajectories which are recurrent in both directions of the time evolution t → +∞, t → -∞ a fractal limit set is associated whose Hausdorff dimension is intimately connected with the quantum mechanical energy ground state, determined by the Schroedinger operator on the manifold. We give a rather detailed and pictorial description of the hyperbolic spaces we have in mind, discuss various aspects of classical and quantum mechanical motion on them as far as they are needed to establish the connection between energy ground state and Hausdorff dimension and give finally some examples of ground state calculations in terms of Hausdorff dimensions of limit sets of classical trajectories. (orig.)

  10. Influence of the biquadratic exchange interaction in the classical ground state magnetic response of the antiferromagnetic icosahedron

    Science.gov (United States)

    Konstantinidis, N. P.

    2016-11-01

    The icosahedron has a ground state magnetization discontinuity in an external magnetic field when classical spins mounted on its vertices are coupled according to the antiferromagnetic Heisenberg model. This is so even if there is no magnetic anisotropy in the Hamiltonian. The discontinuity is a consequence of the frustrated nature of the interactions, which originates in the topology of the cluster. Here it is found that the addition of the next order isotropic spin exchange interaction term in the Hamiltonian, the biquadratic exchange interaction, significantly enriches the classical ground state magnetic response. For relatively weak biquadratic interaction new discontinuities emerge, while for even stronger the number of discontinuities for this small molecule can go up to seven, accompanied by a susceptibility discontinuity. These results demonstrate the possibility of using a small entity like the icosahedron as a magnetic unit whose ground state spin configuration and magnetization can be tuned between many different non-overlapping regimes with the application of an external field.

  11. Highly macroscopically degenerated single-point ground states as source of specific heat capacity anomalies in magnetic frustrated systems

    Science.gov (United States)

    Jurčišinová, E.; Jurčišin, M.

    2018-04-01

    Anomalies of the specific heat capacity are investigated in the framework of the exactly solvable antiferromagnetic spin- 1 / 2 Ising model in the external magnetic field on the geometrically frustrated tetrahedron recursive lattice. It is shown that the Schottky-type anomaly in the behavior of the specific heat capacity is related to the existence of unique highly macroscopically degenerated single-point ground states which are formed on the borders between neighboring plateau-like ground states. It is also shown that the very existence of these single-point ground states with large residual entropies predicts the appearance of another anomaly in the behavior of the specific heat capacity for low temperatures, namely, the field-induced double-peak structure, which exists, and should be observed experimentally, along with the Schottky-type anomaly in various frustrated magnetic system.

  12. Expansion of the energy of the ground state of the Gross-Pitaevskii equation in the Thomas-Fermi limit

    Science.gov (United States)

    Gallo, Clément

    2013-03-01

    From the asymptotic expansion of the ground state of the Gross-Pitaevskii equation in the Thomas-Fermi limit given by Gallo and Pelinovsky ["On the Thomas-Fermi ground state in a harmonic potential," Asymptot. Anal. 73(1-2), 53-96 (2011)], 10.3233/ASY-2011-1034, we infer an asymptotic expansion of the kinetic, potential, and total energy of the ground state. In particular, we give a rigorous proof of the expansion of the kinetic energy calculated by Dalfovo, Pitaevskii, and Stringari ["Order parameter at the boundary of a trapped Bose gas," Phys. Rev. A 54, 4213-4217 (1996)], 10.1103/PhysRevA.54.4213 in the case where the space dimension is 3. Moreover, we calculate one more term in this expansion, and we generalize the result to space dimensions 1 and 2.

  13. The ground state well depth position R {sub m} of Van der Waals molecules and the spectral line shapes

    Energy Technology Data Exchange (ETDEWEB)

    Roston, G.D. [Department of Physics, Faculty of Science, Alexandria University, Alexandria (Egypt)]. E-mail: gamal_daniel@yahoo.com; Helmi, M.S. [Department of Physics, Faculty of Science, Alexandria University, Alexandria (Egypt)

    2006-09-15

    As the ground state potential curve is strongly related to spectral line shapes, the minumum position of the ground state potential is obtained from the experiemental absorption profile k({delta}{nu}, T) at high density of the radiating atoms. The temperature dependence of the absorption processes of Hg and Cd lines 253.65 and 326.1 nm, respectively perturbed by inert gases (Xe, Kr, Ar and Ne) had been carefully studied over a wide spectral range. Using the point of the maximum temperature dependence {delta}{nu} {sub m} in each case, we are able to calculate the position of the ground state potential R {sub m} using a simple formula.

  14. Implementation of rigorous renormalization group method for ground space and low-energy states of local Hamiltonians

    Science.gov (United States)

    Roberts, Brenden; Vidick, Thomas; Motrunich, Olexei I.

    2017-12-01

    The success of polynomial-time tensor network methods for computing ground states of certain quantum local Hamiltonians has recently been given a sound theoretical basis by Arad et al. [Math. Phys. 356, 65 (2017), 10.1007/s00220-017-2973-z]. The convergence proof, however, relies on "rigorous renormalization group" (RRG) techniques which differ fundamentally from existing algorithms. We introduce a practical adaptation of the RRG procedure which, while no longer theoretically guaranteed to converge, finds matrix product state ansatz approximations to the ground spaces and low-lying excited spectra of local Hamiltonians in realistic situations. In contrast to other schemes, RRG does not utilize variational methods on tensor networks. Rather, it operates on subsets of the system Hilbert space by constructing approximations to the global ground space in a treelike manner. We evaluate the algorithm numerically, finding similar performance to density matrix renormalization group (DMRG) in the case of a gapped nondegenerate Hamiltonian. Even in challenging situations of criticality, large ground-state degeneracy, or long-range entanglement, RRG remains able to identify candidate states having large overlap with ground and low-energy eigenstates, outperforming DMRG in some cases.

  15. Case Study for the ARRA-Funded Ground Source Heat Pump Demonstration at Ball State University

    Energy Technology Data Exchange (ETDEWEB)

    Im, Piljae [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Liu, Xiaobing [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Henderson, Jr., Hugh [CDH Energy Corp., Beijing (China)

    2016-12-01

    With funding provided by the American Recovery and Reinvestment Act (ARRA), 26 ground-source heat pump (GSHP) projects were competitively selected in 2009 to demonstrate the benefits of GSHP systems and innovative technologies for cost reduction and/or performance improvement. One of the selected demonstration projects is a district central GSHP system installed at Ball State University (BSU) in Muncie, IN. Prior to implementing the district GSHP system, 47 major buildings in BSU were served by a central steam plant with four coal-fired and three natural-gas-fired steam boilers. Cooling was provided by five water-cooled centrifugal chillers at the District Energy Station South (DESS). The new district GSHP system replaced the existing coal-fired steam boilers and conventional water-cooled chillers. It uses ground-coupled heat recovery (HR) chillers to meet the simultaneous heating and cooling demands of the campus. The actual performance of the GSHP system was analyzed based on available measured data from August 2015 through July 2016, construction drawings, maintenance records, personal communications, and construction costs. Since Phase 1 was funded in part by the ARRA grant, it is the focus of this case study. The annual energy consumption of the GSHP system was calculated based on the available measured data and other related information. It was compared with the performance of a baseline scenario— a conventional water-cooled chiller and natural-gas-fired boiler system, both of which meet the minimum energy efficiencies allowed by the American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE 90.1-2013). The comparison was made to determine source energy savings, energy cost savings, and CO2 emission reductions achieved by the GSHP system. A cost analysis was performed to evaluate the simple payback of the GSHP system. The following sections summarize the results of the analysis, the lessons learned, and recommendations for improvement

  16. Ground Water Atlas of the United States: Segment 8, Montana, North Dakota, South Dakota, Wyoming

    Science.gov (United States)

    Whitehead, R.L.

    1996-01-01

    The States of Montana, North Dakota, South Dakota, and Wyoming compose the 392,764-square-mile area of Segment 8, which is in the north-central part of the continental United States. The area varies topographically from the high rugged mountain ranges of the Rocky Mountains in western Montana and Wyoming to the gently undulating surface of the Central Lowland in eastern North Dakota and South Dakota (fig. 1). The Black Hills in southwestern South Dakota and northeastern Wyoming interrupt the uniformity of the intervening Great Plains. Segment 8 spans the Continental Divide, which is the drainage divide that separates streams that generally flow westward from those that generally flow eastward. The area of Segment 8 is drained by the following major rivers or river systems: the Green River drains southward to join the Colorado River, which ultimately discharges to the Gulf of California; the Clark Fork and the Kootenai Rivers drain generally westward by way of the Columbia River to discharge to the Pacific Ocean; the Missouri River system and the North Platte River drain eastward and southeastward to the Mississippi River, which discharges to the Gulf of Mexico; and the Red River of the North and the Souris River drain northward through Lake Winnipeg to ultimately discharge to Hudson Bay in Canada. These rivers and their tributaries are an important source of water for public-supply, domestic and commercial, agricultural, and industrial uses. Much of the surface water has long been appropriated for agricultural use, primarily irrigation, and for compliance with downstream water pacts. Reservoirs store some of the surface water for flood control, irrigation, power generation, and recreational purposes. Surface water is not always available when and where it is needed, and ground water is the only other source of supply. Ground water is obtained primarily from wells completed in unconsolidated-deposit aquifers that consist mostly of sand and gravel, and from wells

  17. Search for the weak non-analog Fermi branch in the 42Sc ground state beta decay

    International Nuclear Information System (INIS)

    DelVecchio, R.M.; Daehnick, W.W.

    1978-01-01

    We have searched for the β-decay branch from the 4 2Sc ground state to the 1.837 MeV level in 4 2Ca. Since both states are J/sup π/ = 0 + , T = 1, this decay is an example of a non-analog Fermi decay which could occur by reason of some mixing of the analog ground states into the lowest excited 0 + state in both 4 2Sc and 4 2Ca. As a signal for this branch, we looked for a subsequent cascade γ ray with a Ge(Li) detector-rabbit arrangement. We found a branching ratio of (2.2 +- 1.7) x 10 - 5 relative to the superallowed ground state to ground state decay. Interpreted as an upper limit, this corresponds to a branching ratio - 5 at the 68% confidence level. This result is at the lower bound of what present theory can predict with a Coulomb force mixing calculation

  18. Fragile singlet ground-state magnetism in the pyrochlore osmates R2Os2O7 (R =Y and Ho)

    Science.gov (United States)

    Zhao, Z. Y.; Calder, S.; Aczel, A. A.; McGuire, M. A.; Sales, B. C.; Mandrus, D. G.; Chen, G.; Trivedi, N.; Zhou, H. D.; Yan, J.-Q.

    2016-04-01

    The singlet ground-state magnetism in pyrochlore osmates Y2Os2O7 and Ho2Os2O7 is studied by dc and ac susceptibility, specific heat, and neutron powder diffraction measurements. Despite the expected nonmagnetic singlet in the strong spin-orbit coupling (SOC) limit for Os4 + (5 d4 ), Y2Os2O7 exhibits a spin-glass ground state below 4 K with weak magnetism, suggesting possible proximity to a quantum phase transition between the nonmagnetic state in the strong SOC limit and a magnetic state in the strong superexchange limit. Ho2Os2O7 has the same structural distortion as in Y2Os2O7 ; however, the Os sublattice in Ho2Os2O7 shows long-range magnetic ordering below 36 K. The sharp difference of the magnetic ground state between Y2Os2O7 and Ho2Os2O7 signals that the singlet ground-state magnetism in R2Os2O7 is fragile and can be disturbed by the weak 4 f -5 d interactions.

  19. State-to-state photodissociation of carbonyl sulfide (ν2=0,1|JlM). II. The effect of initial bending on coherence of S(1D2) polarization

    International Nuclear Information System (INIS)

    Brom, Alrik J. van den; Rakitzis, T. Peter; Janssen, Maurice H. M.

    2005-01-01

    Photodissociation studies using ion imaging are reported, measuring the coherence of the polarization of the S( 1 D 2 ) fragment from the photolysis of single-quantum state-selected carbonyl sulfide (OCS) at 223 and 230 nm. A hexapole state-selector focuses a molecular beam of OCS parent molecules in the ground state (ν 2 =0 vertical bar JM=10) or in the first excited bending state (ν 2 =1 vertical bar JlM=111). At 230 nm photolysis the Im[a 1 (1p arallel ,perpendicular )] moment for the fast S( 1 D 2 ) channel increases by about 50% when the initial OCS parent state changes from the vibrationless ground state to the first excited bending state. No dependence on the initial bending state is found for photolysis at 223 nm. We observe separate rings in the slow channel of the velocity distribution of S( 1 D 2 ) correlating to single CO(J) rotational states. The additional available energy for photolysis at 223 nm is found to be channeled mostly into the CO(J) rotational motion. An improved value for the OC-S bond energy D 0 =4.292 eV is reported

  20. Instability of Bose-Einstein condensation into the one-particle ground state on quantum graphs under repulsive perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Bolte, Jens, E-mail: jens.bolte@rhul.ac.uk [Department of Mathematics, Royal Holloway, University of London, Egham TW20 0EX (United Kingdom); Kerner, Joachim, E-mail: joachim.kerner@fernuni-hagen.de [Department of Mathematics and Computer Science, FernUniversität in Hagen, Hagen 58084 (Germany)

    2016-04-15

    In this paper we investigate Bose-Einstein condensation into the one-particle ground state in interacting quantum many-particle systems on graphs. We extend previous results obtained for particles on an interval and show that even arbitrarily small repulsive two-particle interactions destroy the condensate in the one-particle ground state present in the non-interacting Bose gas. Our results also cover singular two-particle interactions, such as the well-known Lieb-Liniger model, in the thermodynamic limit.

  1. Decay widths of ground-state and excited Ξb baryons in a nonrelativistic quark model

    International Nuclear Information System (INIS)

    Limphirat, Ayut; Kobdaj, Chinorat; Suebka, Prasart; Yan, Yupeng

    2010-01-01

    Decay processes of ground and excited bottom baryons are studied in the 3 P 0 nonrelativistic quark model with all model parameters fixed in the sector of light quarks. Using as an input the recent mass of Ξ b and the theoretical masses of Ξ b * and Ξ b ' , narrow decay widths are predicted for the ground-state bottom baryons Ξ b * and Ξ b ' . The work predicts large decay widths, about 100 MeV for the ρ-type orbital excitation states of Ξ b .

  2. Rigorous determination of the ground-state phases and thermodynamics in an Ising-type multiferroic chain.

    Science.gov (United States)

    Qi, Yan; Yang, Qi; Yu, Nai-sen; Du, An

    2016-03-31

    To understand the ferroelectricity driven by collinear magnetism in a multiferroic spin-chain system, we have adopted an elastic diatomic Ising spin-chain model with axial next-nearest-neighbor interaction to describe its magnetoelectric properties. By employing magneto-phonon decoupling and the transfer-matrix method, the possible ground-state configurations and thermodynamic behaviors of the system have been determined exactly. The parameter relation for the appearance of electric polarization has been discussed from the perspective of the ground-state configuration. In the case of nearest-neighbor antiferromagnetic coupling, a novel series of zero-temperature transitions induced by magnetic field have been observed, from the ↑↑↓↓ spin configuration associated with ferroelectric order to the ↑↓↑ state with a peculiar 1/3 magnetization plateau, then to the ↑↑↑↓ state, and finally saturation in the ↑↑↑↑ state.

  3. Non-local ground-state functional for quantum spin chains with translational broken symmetry

    International Nuclear Information System (INIS)

    Libero, Valter L.; Penteado, Poliana H.; Veiga, Rodrigo S.

    2011-01-01

    Full text. Thanks to the development and use of new materials with special doping, it becomes relevant the study of Heisenberg spin-chains with broken translational symmetry, induced for instance by finite-size effects, bond defects or by impurity spin in the chain. The exact numerical results demands huge computational efforts, due to the size of the Hilbert space involved and the lack of symmetry to exploit. Density Functional Theory (DFT) has been considered a simple alternative to obtain ground-state properties for such systems. Usually, DFT starts with a uniform system to build the correlation energy and after implement a local approximation to construct local functionals. Based on our prove of the Hohenberg-Kohn theorem for Heisenberg models, and in order to describe more realistic models, we have recently developed a non-local exchange functional for the ground-state energy of quantum-spin chains. A alternating-bond chain is used to obtain the correlation energy and a local unit-cell approximation - LUCA, is defined in the context of DFT. The alternating chain is a good starting point to construct functionals since it is intrinsically non-homogeneous, therefore instead of the usual local approximation (like LDA for electronic systems) we need to introduce an approximation based upon a unit cell concept, that renders a non-local functional in the bond exchange interaction. The agreement with exact numerical data (obtained only for small chains, although the functional can be applied for chains with arbitrary size) is significantly better than in our previous local formulation, even for chains with several ferromagnetic or antiferromagnetic bond defects. These results encourage us to extend the concept of LUCA for chains with alternating-spin magnitudes. We also have constructed a non-local functional based on an alternating-spin chain, instead of a local alternating-bond, using spin-wave-theory. Because of its non-local nature, this functional is expected to

  4. Methane dissociation on Ni(1 1 1): Reaction probabilities using direct and initial state selected approaches

    Energy Technology Data Exchange (ETDEWEB)

    Teixidor, Marc Moix [Departament de Quimica Fisica, Universitat de Barcelona, Marti i Franques 1, 08028 Barcelona (Spain); Institut de Quimica Teorica i Computacional de la UB (IQTCUB) (Spain); Huarte-Larranaga, Fermin, E-mail: fermin.huarte@ub.edu [Departament de Quimica Fisica, Universitat de Barcelona, Marti i Franques 1, 08028 Barcelona (Spain); Institut de Quimica Teorica i Computacional de la UB (IQTCUB) (Spain)

    2012-05-03

    Graphical abstract: Thermal flux eigenstates are employed in this work to calculate reaction probabilities in the CH{sub 4} + Ni(1 1 1) dissociative sticking reaction. Highlights: Black-Right-Pointing-Pointer Initial state and direct quantum approaches are compared for gas surface reactions. Black-Right-Pointing-Pointer Transition state wave packet dynamics has advantages for multidimensional systems. Black-Right-Pointing-Pointer Lattice vibration significantly increases the numerical effort in the TSWP approach. - Abstract: We present two strategies for obtaining initial state selected reaction probabilities employing the multi-configurational time-dependent Hartree approach. The standard approach consists in building a wave function representative of the initial state of the reactants and propagating the wave into the strong interaction region. Reversely, a complete set of quantum states can be built in the strong interaction region and propagated outwards, obtaining the reaction probability from flux correlation functions. These two schemes are compared in our paper for the particular case of gas/surface reactions. In order to do this, we have computed initial state-selected reaction probabilities for the CH{sub 4} + Ni(1 1 1) dissociative adsorption reaction. The system is modeled by considering exclusively normal incidence and treating the molecule as quasidiatomic H-X, with X=CH{sub 3}. Results are compared with previous standard wave packet calculations analyzing the role of vibration and rotation in the molecule as well as the surface temperature.

  5. Towards {sup 6}Li-{sup 40}K ground state molecules

    Energy Technology Data Exchange (ETDEWEB)

    Brachmann, Johannes Felix Simon

    2013-02-08

    The production of a quantum gas with strong long - range dipolar interactions is a major scientific goal in the research field of ultracold gases. In their ro - vibrational ground state Li-K dimers possess a large permanent dipole moment, which could possibly be exploited for the realization of such a quantum gas. A production of these molecules can be achieved by the association of Li and K at a Feshbach resonance, followed by a coherent state transfer. In this thesis, detailed theoretical an experimental preparations to achieve state transfer by means of Stimulated Raman Adiabatic Passage (STIRAP) are described. The theoretical preparations focus on the selection of an electronically excited molecular state that is suitable for STIRAP transfer. In this context, molecular transition dipole moments for both transitions involved in STIRAP transfer are predicted for the first time. This is achieved by the calculation of Franck-Condon factors and a determination of the state in which the {sup 6}Li-{sup 40}K Feshbach molecules are produced. The calculations show that state transfer by use of a single STIRAP sequence is experimentally very well feasible. Further, the optical wavelengths that are needed to address the selected states are calculated. The high accuracy of the data will allow to carry out the molecular spectroscopy in a fast and efficient manner. Further, only a comparatively narrow wavelength tuneability of the spectroscopy lasers is needed. The most suitable Feshbach resonance for the production of {sup 6}Li-{sup 40}K molecules at experimentally manageable magnetic field strengths is occurring at 155 G. Experimentally, this resonance is investigated by means of cross-dimensional relaxation. The application of the technique at various magnetic field strengths in the vicinity of the 155 G Feshbach resonance allows a determination of the resonance position and width with so far unreached precision. This reveals the production of molecules on the atomic side

  6. Environment and initial state engineered dynamics of quantum and classical correlations

    International Nuclear Information System (INIS)

    Wang, Cheng-Zhi; Li, Chun-Xian; Guo, Yu; Lu, Geng-Biao; Ding, Kai-He

    2016-01-01

    Based on an open exactly solvable system coupled to an environment with nontrivial spectral density, we connect the features of quantum and classical correlations with some features of the environment, initial states of the system, and the presence of initial system–environment correlations. Some interesting features not revealed before are observed by changing the structure of environment, the initial states of system, and the presence of initial system–environment correlations. The main results are as follows. (1) Quantum correlations exhibit temporary freezing and permanent freezing even at high temperature of the environment, for which the necessary and sufficient conditions are given by three propositions. (2) Quantum correlations display a transition from temporary freezing to permanent freezing by changing the structure of environment. (3) Quantum correlations can be enhanced all the time, for which the condition is put forward. (4) The one-to-one dependency relationship between all kinds of dynamic behaviors of quantum correlations and the initial states of the system as well as environment structure is established. (5) In the presence of initial system–environment correlations, quantum correlations under local environment exhibit temporary multi-freezing phenomenon. While under global environment they oscillate, revive, and damp, an explanation for which is given. - Highlights: • Various interesting behaviors of quantum and classical correlations are observed in an open exactly solvable model. • The important effects of the bath structure on quantum and classical correlations are revealed. • The one-to-one correspondence between the type of dynamical behavior of quantum discord and the initial state is given. • Quantum correlations are given in the presence of initial qubits–bath correlations.

  7. Near ground state Raman sideband cooling of an ion in a hybrid radiofrequency-optical lattice trap

    Science.gov (United States)

    Bylinskii, Alexei; Karpa, Leon; Gangloff, Dorian; Cetina, Marko; Vuletic, Vladan

    2013-05-01

    We achieve near ground state cooling of an ion in a hybrid trap formed by a two-dimensional radio-frequency Paul trap and an optical lattice produced by a cavity in the axial dimension. We drive far-detuned lattice-assisted Raman transitions on the red vibrational sideband between the Zeeman sublevels of the 2S1/2 ground level of 174Yb+. The cooling cycle is completed by a close-detuned spontaneous Raman transition. Efficient Cooling in all three dimensions is achieved this way. Furthermore, spatially dependent AC Stark shifts induced by the lattice allow us to measure axial temperature via ion fluorescence, and we estimate the population of the lattice vibrational ground state to be above 50%. This work is an important step towards quantum information and quantum simulations with ions in hybrid traps and optical lattices. Army Research Office, National Science Foundation, National Science and Engineering Research Council of Canada, Alexander von Humboldt Foundation.

  8. Line strengths of rovibrational and rotational transitions within the X^3Σ {^-} ground state of NH

    Science.gov (United States)

    Brooke, James S. A.; Bernath, Peter F.; Western, Colin M.; van Hemert, Marc C.; Groenenboom, Gerrit C.

    2014-08-01

    A new line list for rovibrational and rotational transitions, including fine structure, within the NH X^3Σ {^-} ground state has been created. It contains line intensities in the form of Einstein A and f-values, for all possible bands up to v' = 6, and for J up to between 25 and 44. The intensities are based on a new dipole moment function (DMF), which has been calculated using the internally contracted multi-reference configuration interaction method with an aug-cc-pV6Z basis set. The programs RKR1, LEVEL, and PGOPHER were used to calculate line positions and intensities using the most recent spectroscopic line position observations and the new DMF, including the rotational dependence on the matrix elements. The Hund's case (b) matrix elements from the LEVEL output (available as Supplement 1 of the supplementary material) have been transformed to the case (a) form required by PGOPHER. New relative intensities for the (1,0) band have been measured, and the calculated and observed Herman-Wallis effects are compared, showing good agreement. The line list (see Supplement 5 of the supplementary material) will be useful for the study of NH in astronomy, cold and ultracold molecular systems, and in the nitrogen chemistry of combustion.

  9. Ground-state and spectral properties of an asymmetric Hubbard ladder

    Science.gov (United States)

    Abdelwahab, Anas; Jeckelmann, Eric; Hohenadler, Martin

    2015-04-01

    We investigate a ladder system with two inequivalent legs, namely, a Hubbard chain and a one-dimensional electron gas. Analytical approximations, the density-matrix renormalization group method, and continuous-time quantum Monte Carlo simulations are used to determine ground-state properties, gaps, and spectral functions of this system at half-filling. Evidence for the existence of four different phases as a function of the Hubbard interaction and the rung hopping is presented. First, a Luttinger liquid exists at very weak interchain hopping. Second, a Kondo-Mott insulator with spin and charge gaps induced by an effective rung exchange coupling is found at moderate interchain hopping or strong Hubbard interaction. Third, a spin-gapped paramagnetic Mott insulator with incommensurate excitations and pairing of doped charges is observed at intermediate values of the rung hopping and the interaction. Fourth, the usual correlated band insulator is recovered for large rung hopping. We show that the wave numbers of the lowest single-particle excitations are different in each insulating phase. In particular, the three gapped phases exhibit markedly different spectral functions. We discuss the relevance of asymmetric two-leg ladder systems as models for atomic wires deposited on a substrate.

  10. Role of ground-state correlations in hypernuclear nonmesonic weak decay

    International Nuclear Information System (INIS)

    Bauer, E.; Garbarino, G.

    2010-01-01

    The contribution of ground-state correlations (GSCs) to the nonmesonic weak decay of Λ 12 C and other medium to heavy hypernuclei is studied within a nuclear-matter formalism implemented in a local-density approximation. We adopt a weak transition potential including the exchange of the complete octets of pseudoscalar and vector mesons, as well as a residual strong interaction modeled on the Bonn potential. Leading GSC contributions, at first order in the residual strong interaction, are introduced on the same footing for all isospin channels of one- and two-nucleon induced decays. Together with fermion antisymmetrization, GSCs turn out to be important for an accurate determination of the decay widths. Besides opening the two-nucleon stimulated decay channels, for Λ 12 C GSCs are responsible for 14% of the rate Γ 1 while increasing the Γ n /Γ p ratio by 4%. Our final results for Λ 12 C are Γ NM =0.98, Γ n /Γ p =0.34, and Γ 2 /Γ NM =0.26. The saturation property of Γ NM with increasing hypernuclear mass number is clearly observed. The agreement with data of our predictions for Γ NM , Γ n /Γ p , and Γ 2 is rather good.

  11. The emission function of ground-based light sources: State of the art and research challenges

    Science.gov (United States)

    Solano Lamphar, Héctor Antonio

    2018-05-01

    To understand the night sky radiance generated by the light emissions of urbanised areas, different researchers are currently proposing various theoretical approaches. The distribution of the radiant intensity as a function of the zenith angle is one of the most unknown properties on modelling skyglow. This is due to the collective effects of the artificial radiation emitted from the ground-based light sources. The emission function is a key property in characterising the sky brightness under arbitrary conditions, therefore it is required by modellers, environmental engineers, urban planners, light pollution researchers, and experimentalists who study the diffuse light of the night sky. As a matter of course, the emission function considers the public lighting system, which is in fact the main generator of the skyglow. Still, another class of light-emitting devices are gaining importance since their overuse and the urban sprawl of recent years. This paper will address the importance of the emission function in modelling skyglow and the factors involved in its characterization. On this subject, the author's intention is to organise, integrate, and evaluate previously published research in order to state the progress of current research toward clarifying this topic.

  12. Ground-State Charge Transfer: Lithium-Benzene and the Role of Hartree-Fock Exchange.

    Science.gov (United States)

    Borca, Carlos H; Slipchenko, Lyudmila V; Wasserman, Adam

    2016-10-07

    Most approximations to the exchange-correlation functional of Kohn-Sham density functional theory lead to delocalization errors that undermine the description of charge-transfer phenomena. We explore how various approximate functionals and charge-distribution schemes describe ground-state atomic-charge distributions in the lithium-benzene complex, a model system of relevance to carbon-based supercapacitors. To understand the trends, we compare Hartree-Fock (HF) and correlated post-HF calculations, confirming that the HOMO-LUMO gap is narrower in semilocal functionals but widened by hybrid functionals with large fractions of HF exchange. For semilocal functionals, natural bond orbital (NBO) and Mulliken schemes yield opposite pictures of how charge transfer occurs. In PBE, for example, when lithium and benzene are <1.5 Å apart, NBO yields a positive charge on the lithium atom, but the Mulliken scheme yields a negative charge. Furthermore, the partial charges in conjugated materials depend on the interplay between the charge-distribution scheme employed and the underlying exchange-correlation functional, being critically sensitive to the admixture of HF exchange. We analyze and explain why this happens, discuss implications, and conclude that hybrid functionals with an admixture of about one-fourth of HF exchange are particularly useful in describing charge transfer in the lithium-benzene model.

  13. Entropy Constraints in the Ground State Formation of Magnetically Frustrated Systems

    Science.gov (United States)

    Sereni, Julian G.

    2018-01-01

    A systematic modification of the entropy trajectory (S_m(T)) is observed at very low temperature in magnetically frustrated systems as a consequence of the constraint (S_mg 0) imposed by the Nernst postulate. The lack of magnetic order allows to explore and compare new thermodynamic properties by tracing the specific heat (C_m) behavior down to the sub-Kelvin range. Some of the most relevant findings are: (i) a common C_m/T|_{T→ 0} ≈ 7 J/mol K^2 `plateau' in at least five Yb-based very-heavy-fermions (VHF) compounds; (ii) quantitative and qualitative differences between VHF and standard non-Fermi-liquids; (iii) entropy bottlenecks governing the change of S_m(T) trajectories in a continuous transition into alternative ground states. A comparative analysis of S_m(T→ 0) dependencies is performed in compounds suitable for adiabatic demagnetization processes according to their partial ^2 S_m/partial T^2 derivatives.

  14. On the Stability of Classical Orbits of the Hydrogen Ground State in Stochastic Electrodynamics

    Directory of Open Access Journals (Sweden)

    Theodorus M. Nieuwenhuizen

    2016-04-01

    Full Text Available De la Peña 1980 and Puthoff 1987 show that circular orbits in the hydrogen problem of Stochastic Electrodynamics connect to a stable situation, where the electron neither collapses onto the nucleus nor gets expelled from the atom. Although the Cole-Zou 2003 simulations support the stability, our recent numerics always lead to self-ionisation. Here the de la Peña-Puthoff argument is extended to elliptic orbits. For very eccentric orbits with energy close to zero and angular momentum below some not-small value, there is on the average a net gain in energy for each revolution, which explains the self-ionisation. Next, an 1 / r 2 potential is added, which could stem from a dipolar deformation of the nuclear charge by the electron at its moving position. This shape retains the analytical solvability. When it is enough repulsive, the ground state of this modified hydrogen problem is predicted to be stable. The same conclusions hold for positronium.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-01-01

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

  16. Evidence for a dynamical ground state in the frustrated pyrohafnate Tb2Hf2O7

    Science.gov (United States)

    Anand, V. K.; Opherden, L.; Xu, J.; Adroja, D. T.; Hillier, A. D.; Biswas, P. K.; Herrmannsdörfer, T.; Uhlarz, M.; Hornung, J.; Wosnitza, J.; Canévet, E.; Lake, B.

    2018-03-01

    We report the physical properties of Tb2Hf2O7 based on ac magnetic susceptibility χac(T ) , dc magnetic susceptibility χ (T ) , isothermal magnetization M (H ) , and heat capacity Cp(T ) measurements combined with muon spin relaxation (μ SR ) and neutron powder diffraction measurements. No evidence for long-range magnetic order is found down to 0.1 K. However, χac(T ) data present a frequency-dependent broad peak (near 0.9 K at 16 Hz) indicating slow spin dynamics. The slow spin dynamics is further evidenced from the μ SR data (characterized by a stretched exponential behavior) which show persistent spin fluctuations down to 0.3 K. The neutron powder diffraction data collected at 0.1 K show a broad peak of magnetic origin (diffuse scattering) but no magnetic Bragg peaks. The analysis of the diffuse scattering data reveals a dominant antiferromagnetic interaction in agreement with the negative Weiss temperature. The absence of long-range magnetic order and the presence of slow spin dynamics and persistent spin fluctuations together reflect a dynamical ground state in Tb2Hf2O7 .

  17. Observation of the bottomonium ground state in the decay Upsilon(3S)-->gammaetab.

    Science.gov (United States)

    Aubert, B; Bona, M; Karyotakis, Y; Lees, J P; Poireau, V; Prencipe, E; Prudent, X; Tisserand, V; Garra Tico, J; Grauges, E; Lopez, L; Palano, A; Pappagallo, M; Eigen, G; Stugu, B; Sun, L; Abrams, G S; Battaglia, M; Brown, D N; Cahn, R N; Jacobsen, R G; Kerth, L T; Kolomensky, Yu G; Lynch, G; Osipenkov, I L; Ronan, M T; Tackmann, K; Tanabe, T; Hawkes, C M; Soni, N; Watson, A T; Koch, H; Schroeder, T; Walker, D; Asgeirsson, D J; Fulsom, B G; Hearty, C; Mattison, T S; McKenna, J A; Barrett, M; Khan, A; Blinov, V E; Bukin, A D; Buzykaev, A R; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Bondioli, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Martin, E C; Stoker, D P; Abachi, S; Buchanan, C; Gary, J W; Liu, F; Long, O; Shen, B C; Vitug, G M; Yasin, Z; Zhang, L; Sharma, V; Campagnari, C; Hong, T M; Kovalskyi, D; Mazur, M A; Richman, J D; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Martinez, A J; Schalk, T; Schumm, B A; Seiden, A; Wilson, M G; Winstrom, L O; Cheng, C H; Doll, D A; Echenard, B; Fang, F; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Andreassen, R; Mancinelli, G; Meadows, B T; Mishra, K; Sokoloff, M D; Bloom, P C; Ford, W T; Gaz, A; Hirschauer, J F; Nagel, M; Nauenberg, U; Smith, J G; Ulmer, K A; Wagner, S R; Ayad, R; Soffer, A; Toki, W H; Wilson, R J; Altenburg, D D; Feltresi, E; Hauke, A; Jasper, H; Karbach, M; Merkel, J; Petzold, A; Spaan, B; Wacker, K; Kobel, M J; Mader, W F; Nogowski, R; Schubert, K R; Schwierz, R; Volk, A; Bernard, D; Bonneaud, G R; Latour, E; Verderi, M; Clark, P J; Playfer, S; Watson, J E; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cecchi, A; Cibinetto, G; Franchini, P; Luppi, E; Negrini, M; Petrella, A; Piemontese, L; Santoro, V; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Buzzo, A; Contri, R; Lo Vetere, M; Macri, M M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Chaisanguanthum, K S; Morii, M; Adametz, A; Marks, J; Schenk, S; Uwer, U; Klose, V; Lacker, H M; Bard, D J; Dauncey, P D; Nash, J A; Tibbetts, M; Behera, P K; Chai, X; Charles, M J; Mallik, U; Cochran, J; Crawley, H B; Dong, L; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gao, Y Y; Gritsan, A V; Guo, Z J; Lae, C K; Arnaud, N; Béquilleux, J; D'Orazio, A; Davier, M; da Costa, J Firmino; Grosdidier, G; Höcker, A; Lepeltier, V; Le Diberder, F; Lutz, A M; Pruvot, S; Roudeau, P; Schune, M H; Serrano, J; Sordini, V; Stocchi, A; Wormser, G; Lange, D J; Wright, D M; Bingham, I; Burke, J P; Chavez, C A; Fry, J R; Gabathuler, E; Gamet, R; Hutchcroft, D E; Payne, D J; Touramanis, C; Bevan, A J; Clarke, C K; George, K A; Di Lodovico, F; Sacco, R; Sigamani, M; Cowan, G; Flaecher, H U; Hopkins, D A; Paramesvaran, S; Salvatore, F; Wren, A C; Brown, D N; Davis, C L; Denig, A G; Fritsch, M; Gradl, W; Schott, G; Alwyn, K E; Bailey, D; Barlow, R J; Chia, Y M; Edgar, C L; Jackson, G; Lafferty, G D; West, T J; Yi, J I; Anderson, J; Chen, C; Jawahery, A; Roberts, D A; Simi, G; Tuggle, J M; Dallapiccola, C; Li, X; Salvati, E; Saremi, S; Cowan, R; Dujmic, D; Fisher, P H; Sciolla, G; Spitznagel, M; Taylor, F; Yamamoto, R K; Zhao, M; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Godang, R; Kroeger, R; Sanders, D A; Summers, D J; Zhao, H W; Simard, M; Taras, P; Viaud, F B; Nicholson, H; De Nardo, G; Lista, L; Monorchio, D; Onorato, G; Sciacca, C; Raven, G; Snoek, H L; Jessop, C P; Knoepfel, K J; LoSecco, J M; Wang, W F; Benelli, G; Corwin, L A; Honscheid, K; Kagan, H; Kass, R; Morris, J P; Rahimi, A M; Regensburger, J J; Sekula, S J; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Kolb, J A; Lu, M; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Castelli, G; Gagliardi, N; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; del Amo Sanchez, P; Ben-Haim, E; Briand, H; Calderini, G; Chauveau, J; David, P; Del Buono, L; Hamon, O; Leruste, Ph; Ocariz, J; Perez, A; Prendki, J; Sitt, S; Gladney, L; Biasini, M; Covarelli, R; Manoni, E; Angelini, C; Batignani, G; Bettarini, S; Carpinelli, M; Cervelli, A; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Morganti, M; Neri, N; Paoloni, E; Rizzo, G; Walsh, J J; Lopes Pegna, D; Lu, C; Olsen, J; Smith, A J S; Telnov, A V; Anulli, F; Baracchini, E; Cavoto, G; del Re, D; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Jackson, P D; Gioi, L Li; Mazzoni, M A; Morganti, S; Piredda, G; Polci, F; Renga, F; Voena, C; Ebert, M; Hartmann, T; Schröder, H; Waldi, R; Adye, T; Franek, B; Olaiya, E O; Wilson, F F; Emery, S; Escalier, M; Esteve, L; Ganzhur, S F; de Monchenault, G Hamel; Kozanecki, W; Vasseur, G; Yèche, Ch; Zito, M; Chen, X R

    2008-08-15

    We report the results of a search for the bottomonium ground state etab(1S) in the photon energy spectrum with a sample of (109+/-1) million of Upsilon(3S) recorded at the Upsilon(3S) energy with the BABAR detector at the PEP-II B factory at SLAC. We observe a peak in the photon energy spectrum at Egamma=921.2(-2.8)+2.1(stat)+/-2.4(syst) MeV with a significance of 10 standard deviations. We interpret the observed peak as being due to monochromatic photons from the radiative transition Upsilon(3S)-->gammaetab(1S). This photon energy corresponds to an etab(1S) mass of 9388.9(-2.3)+3.1(stat)+/-2.7(syst) MeV/c2. The hyperfine Upsilon(1S)-etab(1S) mass splitting is 71.4(-3.1)+2.3(stat)+/-2.7(syst) MeV/c2. The branching fraction for this radiative Upsilon(3S) decay is estimated to be [4.8+/-0.5(stat)+/-1.2(syst)]x10(-4).

  18. Magnetic excitations in the ground state of Yb2Ti2O7

    Science.gov (United States)

    Peçanha-Antonio, Viviane; Feng, Erxi; Su, Yixi; Pomjakushin, Vladimir; Demmel, Franz; Chang, Lieh-Jeng; Aldus, Robert J.; Xiao, Yinguo; Lees, Martin R.; Brückel, Thomas

    2017-12-01

    We report an extensive study on the zero field ground state of a powder sample of the pyrochlore Yb2Ti2O7 . A sharp heat capacity anomaly that labels a low temperature phase transition in this material is observed at 280 mK. Neutron diffraction shows that a quasicollinear ferromagnetic order develops below Tc with a magnetic moment of 0.87 (2 ) μB . High resolution inelastic neutron scattering measurements show, below the phase transition temperature, sharp gapped low-lying magnetic excitations coexisting with a remnant quasielastic contribution likely associated with persistent spin fluctuations. Moreover, a broad inelastic continuum of excitations at ˜0.6 meV is observed from the lowest measured temperature up to at least 2.5 K. At 10 K, the continuum has vanished and a broad quasielastic conventional paramagnetic scattering takes place at the observed energy range. Finally, we show that the exchange parameters obtained within the framework of linear spin-wave theory do not accurately describe the observed zero field inelastic neutron scattering data.

  19. Pressure dependence of the magnetic ground states in MnP

    Science.gov (United States)

    Matsuda, M.; Ye, F.; Dissanayake, S. E.; Cheng, J.-G.; Chi, S.; Ma, J.; Zhou, H. D.; Yan, J.-Q.; Kasamatsu, S.; Sugino, O.; Kato, T.; Matsubayashi, K.; Okada, T.; Uwatoko, Y.

    2016-03-01

    MnP, a superconductor under pressure, exhibits a ferromagnetic order below TC˜290 K followed by a helical order with the spins lying in the a b plane and the helical rotation propagating along the c axis below Ts˜50 K at ambient pressure. We performed single-crystal neutron diffraction experiments to determine the magnetic ground states under pressure. Both TC and Ts are gradually suppressed with increasing pressure and the helical order disappears at ˜1.2 GPa. At intermediate pressures of 1.8 and 2.0 GPa, the ferromagnetic order first develops and changes to a conical or two-phase (ferromagnetic and helical) structure with the propagation along the b axis below a characteristic temperature. At 3.8 GPa, a helical magnetic order appears below 208 K, which hosts the spins in the a c plane and the propagation along the b axis. The period of this b axis modulation is shorter than that at 1.8 GPa. Our results indicate that the magnetic phase in the vicinity of the superconducting phase may have a helical magnetic correlation along the b axis.

  20. Variational calculation of the ground state of closed-shell nuclei up to A =40

    Science.gov (United States)

    Lonardoni, D.; Lovato, A.; Pieper, Steven C.; Wiringa, R. B.

    2017-08-01

    Variational calculations of ground-state properties of 4He,16O, and 40Ca are carried out employing realistic phenomenological two- and three-nucleon potentials. The trial wave function includes two- and three-body correlations acting on a product of single-particle determinants. Expectation values are evaluated with a cluster expansion for the spin-isospin dependent correlations considering up to five-body cluster terms. The optimal wave function is obtained by minimizing the energy expectation value over a set of up to 20 parameters by means of a nonlinear optimization library. We present results for the binding energy, charge radius, one- and two-body densities, single-nucleon momentum distribution, charge form factor, and Coulomb sum rule. We find that the employed three-nucleon interaction becomes repulsive for A ≥16 . In 16O the inclusion of such a force provides a better description of the properties of the nucleus. In 40Ca instead, the repulsive behavior of the three-body interaction fails to reproduce experimental data for the charge radius and the charge form factor. We find that the high-momentum region of the momentum distributions, determined by the short-range terms of nuclear correlations, exhibits a universal behavior independent of the particular nucleus. The comparison of the Coulomb sum rules for 4He,16O, and 40Ca reported in this work will help elucidate in-medium modifications of the nucleon form factors.

  1. Quantitative measurements of ground state atomic oxygen in atmospheric pressure surface micro-discharge array

    Science.gov (United States)

    Li, D.; Kong, M. G.; Britun, N.; Snyders, R.; Leys, C.; Nikiforov, A.

    2017-06-01

    The generation of atomic oxygen in an array of surface micro-discharge, working in atmospheric pressure He/O2 or Ar/O2 mixtures, is investigated. The absolute atomic oxygen density and its temporal and spatial dynamics are studied by means of two-photon absorption laser-induced fluorescence. A high density of atomic oxygen is detected in the He/O2 mixture with up to 10% O2 content in the feed gas, whereas the atomic oxygen concentration in the Ar/O2 mixture stays below the detection limit of 1013 cm-3. The measured O density near the electrode under the optimal conditions in He/1.75% O2 gas is 4.26  ×  1015 cm-3. The existence of the ground state O (2p 4 3 P) species has been proven in the discharge at a distance up to 12 mm away from the electrodes. Dissociative reactions of the singlet O2 with O3 and deep vacuum ultraviolet radiation, including the radiation of excimer \\text{He}2\\ast , are proposed to be responsible for O (2p 4 3 P) production in the far afterglow. A capability of the surface micro-discharge array delivering atomic oxygen to long distances over a large area is considered very interesting for various biomedical applications.

  2. Nuclear Ground State Properties in Strontium by Fast Beam Laser Spectroscopy

    CERN Multimedia

    2002-01-01

    Hyperfine structures and isotope shifts of strontium isotopes with A=78 to A=100 were measured by collinear fast beam laser spectroscopy. Nuclear spins, moments and changes in mean square charge radii are extracted from the data. The spins and moments of most of the odd isotopes are explained in the framework of the single particle model. The changes in mean square charge radii show a decrease with increasing neutron number below the N=50 shell closure. Above N=50 the charge radii increase regularly up to N=59 before revealing a strong discontinuity, indicating the onset of strong ground state deformation. A comparison of the droplet model shows that for the transitional isotopes below and above N=50, the zero point quadrupole motion describes part of the observed shell effect. Calculations carried out in the Hartree-Fock plus BCS model suggest an additional change in the surface region of the charge distribution at spherical shape. From these calculations it is furthermore proposed, that the isotopes $^7

  3. 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.

  4. Detecting initial system-environment correlations: Performance of various distance measures for quantum states

    Science.gov (United States)

    Wißmann, S.; Leggio, B.; Breuer, H.-P.

    2013-08-01

    We study the time evolution of four distance measures in the presence of initial system-environment correlations. It is well known that the trace distance between two quantum states of an open system may increase due to initial correlations, which leads to a breakdown of the contractivity of the reduced dynamics. Here we compare and analyze, for two different models, the time evolution of the trace distance, the Bures metric, the Hellinger distance, and the Jensen-Shannon divergence regarding an increase above their initial values, witnessing initial correlations. This work generalizes, deepens, and corrects a part of the study performed by Dajka [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.84.032120 84, 032120 (2011)] and thereby reveals generic features of the considered distance measures with respect to the capability of detecting initial system-environment correlations.

  5. Ground and excited state dipole moments of some flavones using solvatochromic methods: An experimental and theoretical study

    Science.gov (United States)

    Kumar, Sanjay; Kapoor, Vinita; Bansal, Ritu; Tandon, H. C.

    2018-03-01

    The absorption and fluorescence characteristics of biologically active flavone derivatives 6-Hydroxy-7,3‧,4‧,5‧-tetramethoxyflavone (6HTMF) and 7-Hydroxy-6,3‧,4‧,5‧-tetramethoxyflavone (7HTMF) are studied at room temperature (298 K) in solvents of different polarities. Excited state dipole moments of these compounds have been determined using the solvatochromic shift method based on the microscopic solvent polarity parameter ETN . Dipole moments in excited state were found to be higher than those in the ground state in both the molecules. A reasonable agreement has been observed between experimental and theoretically calculated dipole moments (using AM1 method). Slightly large value of ground and excited state dipole moments of 7HTMF than 6HTMF are in conformity with predicted electrostatic potential maps. Our results would be helpful in understanding use of these compounds as tunable dye lasers, optical brighteners and biosensors.

  6. Dissociation cross sections of ground-state and excited charmonia with light mesons in the quark model

    Energy Technology Data Exchange (ETDEWEB)

    T. Barnes; E.S. Swanson; C.-Y. Wong; X.-M. Xu

    2003-07-29

    We present numerical results for the dissociation cross sections of ground-state, orbitally- and radially-excited charmonia in collisions with light mesons. Our results are derived using the nonrelativistic quark model, so all parameters are determined by fits to the experimental meson spectrum. Examples of dissociation into both exclusive and inclusive final states are considered. The dissociation cross sections of several C=(+) charmonia may be of considerable importance for the study of heavy ion collisions, since these states are expected to be produced more copiously than the J/{psi}. The relative importance of the productions of ground-state and orbitally-excited charmed mesons in a pion-charmonium collision is demonstrated through the {radical}s-dependent charmonium dissociation cross sections.

  7. Tb3+ in TbCo3B2, a Singlet Ground State System, Studied by Inelastic Neutron Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Rivin, Oleg [Nuclear Research Centre-Negev, Israel; and Ben-Gurion University, Israel; Osborn, Raymond [Argonne National Laboratory (ANL); Kolesnikov, Alexander I [ORNL; Caspi, El' ad N. [Nuclear Research Centre-Negev, Israel; Shaked, Hagai [Ben Gurion University of the Negev

    2008-01-01

    The results of inelastic neutron scattering on the hexagonal compounds TbCo3B2 and Tb0.75Y0.25Co3B2, at several temperatures are reported. The crystal field level scheme of Tb3+ ions in the paramagnetic phase is determined. This scheme contains a non-magnetic singlet (G1) as ground state. Inelastic neutron scattering at low temperature (10 K), leads to a different energy level scheme, where the singlet ground state is ferromagnetic with # 0. This is a "self induced" ferromagnetism on the Tb sub-lattice, resulting from the admixture of higher crystal field levels into the singlet ground state by the exchange field. The resulting magnitudes of these ground state magnetic moments are 5.6(3) and 3(1) muB for TbCo3B2 and Tb0.75Y0.25Co3B2, respectively. These values are much smaller than the free ion value of 9 muB and are in agreement with previously observed values. Such large reductions are characteristic of the "self induced" ferromagnetism. The temperature dependence of the magnetic moment, magnetic anisotropy, Tb sub-lattice dilution and magnetic susceptibility are discussed.

  8. Suppression of resonance Raman scattering via ground state depletion towards sub-diffraction-limited label-free microscopy

    NARCIS (Netherlands)

    Rieger, S.; Fischedick, M.; Boller, Klaus J.; Fallnich, Carsten

    2016-01-01

    We report on the first experimental demonstration of the suppression of spontaneous Raman scattering via ground state depletion. The concept of Raman suppression can be used to achieve sub-diffraction-limited resolution in label-free microscopy by exploiting spatially selective signal suppression

  9. Using Uncertainty Principle to Find the Ground-State Energy of the Helium and a Helium-like Hookean Atom

    Science.gov (United States)

    Harbola, Varun

    2011-01-01

    In this paper, we accurately estimate the ground-state energy and the atomic radius of the helium atom and a helium-like Hookean atom by employing the uncertainty principle in conjunction with the variational approach. We show that with the use of the uncertainty principle, electrons are found to be spread over a radial region, giving an electron…

  10. Dynamic evolution of initial instability during non-steady-state growth.

    Science.gov (United States)

    Dong, Zhibo; Zheng, Wenjian; Wei, Yanhong; Song, Kuijing

    2014-06-01

    Dynamic evolution of initial instability is investigated by an analytic model obtained by modifying the theory of Warren and Langer [Phys. Rev. E 47, 2702 (1993)] and the quantitative phase-field model in directional solidification under transient conditions for realistic parameters of a dilute alloy. The evolutions of tip velocity and concentration in the liquid side of the interface predicted by the analytic model agree very well with that from the phase-field simulation in the linear growth stage of the non-steady-state growth, indicating that the model could be used as a convenient method to study the initial instability during non-steady-state growth. The influences of non-steady-state conditions which include the increasing rate of pulling speed and temperature gradient at the onset of initial instability are investigated, and we find that, the initial instability seems to depend strongly on the non-steady-state conditions and the non-steady-state history, and thus, it should be primarily considered in the study of the transient growth.

  11. Evaluation of ground water quality of Mubi town in Adamawa State ...

    African Journals Online (AJOL)

    STORAGESEVER

    2008-06-03

    Jun 3, 2008 ... Ground water is widely distributed and can frequently develop incrementally at points near the water demand, thus avoiding the need for large-scale storage, treatment and distribution system. Ground water is particularly important as it accounts for about 88% safe drinking water in rural areas, where.

  12. Extracting Information about the Initial State from the Black Hole Radiation.

    Science.gov (United States)

    Lochan, Kinjalk; Padmanabhan, T

    2016-02-05

    The crux of the black hole information paradox is related to the fact that the complete information about the initial state of a quantum field in a collapsing spacetime is not available to future asymptotic observers, belying the expectations from a unitary quantum theory. We study the imprints of the initial quantum state contained in a specific class of distortions of the black hole radiation and identify the classes of in states that can be partially or fully reconstructed from the information contained within. Even for the general in state, we can uncover some specific information. These results suggest that a classical collapse scenario ignores this richness of information in the resulting spectrum and a consistent quantum treatment of the entire collapse process might allow us to retrieve much more information from the spectrum of the final radiation.

  13. 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.

  14. Features of Upward Positive Leaders Initiated From Towers in Natural Cloud-to-Ground Lightning Based on Simultaneous High-Speed Videos, Measured Currents, and Electric Fields

    Science.gov (United States)

    Visacro, Silverio; Guimaraes, Miguel; Murta Vale, Maria Helena

    2017-12-01

    Original simultaneous records of currents, close electric field, and high-speed videos of natural negative cloud-to-ground lightning striking the tower of Morro do Cachimbo Station are used to reveal typical features of upward positive leaders before the attachment, including their initiation and mode of propagation. According to the results, upward positive leaders initiate some hundreds of microseconds prior to the return stroke, while a continuous uprising current of about 4 A and superimposed pulses of a few tens amperes flow along the tower. Upon leader initiation, the electric field measured 50 m away from the tower at ground level is about 60 kV/m. The corresponding average field roughly estimated 0.5 m above the tower top is higher than 0.55 MV/m. As in laboratory experiments, the common propagation mode of upward positive leaders is developing continuously, without steps, from their initiation. Unlike downward negative leaders, upward positive leaders typically do not branch off, though they can bifurcate under the effect of a downward negative leader's secondary branch approaching their lateral surface. The upward positive leader's estimated average two-dimensional propagation speed, in the range of 0.06 × 106 to 0.16 × 106 m/s, has the same order of magnitude as that of downward negative leaders. Apparently, the speed tends to increase just before attachment.

  15. Ground beef handling and cooking practices in restaurants in eight States.

    Science.gov (United States)

    Bogard, April K; Fuller, Candace C; Radke, Vincent; Selman, Carol A; Smith, Kirk E

    2013-12-01

    Eating in table-service restaurants has been implicated as a risk factor for Escherichia coli O157:H7 infection. To explore this association and learn about the prevalence of risky ground beef preparation practices in restaurants, the Environmental Health Specialists Network (EHS-Net) assessed ground beef handling policies and practices in restaurants in California, Colorado, Connecticut, Georgia, Minnesota, New York, Oregon, and Tennessee. Eligible restaurants prepared and served hamburgers. EHS-Net specialists interviewed a restaurant employee with authority over the kitchen (defined as the manager) using a standard questionnaire about food safety policies, hamburger preparation policies, and use of irradiated ground beef. Interviews were followed by observations of ground beef preparation. Data from 385 restaurants were analyzed: 67% of the restaurants were independently owned and 33% were chain restaurants; 75% of the restaurants were sit down, 19% were quick service or fast food, and 6% were cafeteria or buffet restaurants. Eighty-one percent of restaurants reported determining doneness of hamburgers by one or more subjective measures, and 49% reported that they never measure the final cook temperatures of hamburgers. At least two risky ground beef handling practices were observed in 53% of restaurants. Only 1% of restaurants reported purchasing irradiated ground beef, and 29% were unfamiliar with irradiated ground beef. Differences in risky ground beef handling policies and practices were noted for type of restaurant ownership (independently owned versus chain) and type of food service style (sit down versus quick service or fast food). This study revealed the pervasiveness of risky ground beef handling policies and practices in restaurants and the need for educational campaigns targeting food workers and managers. These results highlight the importance of continued efforts to reduce the prevalence of E. coli O157:H7 in ground beef.

  16. Analytic ground state wave functions of mean-field px+i py superconductors with vortices and boundaries

    Science.gov (United States)

    Wang, Zhiyuan; Hazzard, Kaden R. A.

    2018-03-01

    We study Read and Green's mean-field model of the spinless px+i py superconductor [N. Read and D. Green, Phys. Rev. B 61, 10267 (2000), 10.1103/PhysRevB.61.10267] at a special set of parameters where we find the analytic expressions for the topologically degenerate ground states and the Majorana modes, including in finite systems with edges and in the presence of an arbitrary number of vortices. The wave functions of these ground states are similar (but not always identical) to the Moore-Read Pfaffian states proposed for the ν =5/2 fractional quantum Hall system, which are interpreted as the p -wave superconducting states of composite fermions. The similarity in the long-wavelength universal properties is expected from previous work, but at the special point studied herein the wave functions are exact even for short-range, nonuniversal properties. As an application of these results, we show how to obtain the non-Abelian statistics of the vortex Majorana modes by explicitly calculating the analytic continuation of the ground state wave functions when vortices are adiabatically exchanged, an approach different from the previous one based on universal arguments. Our results are also useful for constructing particle-number-conserving (and interacting) Hamiltonians with exact projected mean-field states.

  17. Nutrition initiatives in the context of population aging: where does the United States stand?

    Science.gov (United States)

    Chalé, Angela; Unanski, Amanda G; Liang, Raymond Y

    2012-01-01

    In 2011, the earliest segment of the baby boom generation turned 65 years of age. This event marks the beginning of a new phase of growth of the older adult population in the United States and is in line with what is referred to worldwide as "population aging." By 2030, older adults will comprise 20% of the U.S. population. With the impending increase in the older adult population, the United States is unprepared to handle the accompanying social and economic impact of growing rates of age-related diseases such as diabetes, hypertension, and cardiovascular disease. These diseases have nutritional determinants and, as such, they signify the need for effective preventive nutrition initiatives to address population aging in the United States. Comparatively, the European Union (EU) is projected to reach an older adult population of 24% by 2030. In this special article we evaluate nutrition initiatives for older adults in the United States and also examine nutrition initiatives in the European Union in search of an ideal model. However, we found that available data for EU initiatives targeted at population aging were limited. We conclude by offering the proposal of a physician-based model that establishes the primary care physician as the initiator of nutrition screening, education, referrals, and follow-up for the older adult population in the United States as a long-term goal. Apropos of the immediate future, we consider barriers that underscore the establishment of a physician-based model and suggest objectives that are attainable. Although the data are limited for the European Union, this model may serve to guide management of chronic diseases with a nutritional component in economies similar to the United States worldwide.

  18. Initial excited-state structural dynamics of 9-methyladenine from UV resonance Raman spectroscopy.

    Science.gov (United States)

    Oladepo, Sulayman A; Loppnow, Glen R

    2011-05-19

    The photophysics and photochemistry of nucleobases are the factors governing the photostability of DNA and RNA, since they are the UV chromophores in nucleic acids. Because the formation of photoproducts involves structural changes in the excited electronic state, we study here the initial excited-state structural dynamics of 9-methyladenine (9-MeA) by using UV resonance Raman (UVRR) spectroscopy. UV resonance Raman intensities are sensitive to the initial excited-state structural dynamics of molecules. Therefore, information about the initial structural changes in the excited-state of a given molecule can be obtained from its UVRR intensities. The resonance Raman spectra of 9-MeA at wavelengths throughout its 262 nm absorption band were measured, and a self-consistent analysis of the resulting resonance Raman excitation profiles and absorption spectrum was performed using a time-dependent wave packet formalism. We found that the initial structural dynamics of this molecule primarily lie along the N3C4, C4C5, C5C6, C5N7, N7C8, and C8N9 stretching vibrations and CH(3) deformation vibrations. These results are discussed in the context of photochemistry and other deactivation processes. © 2011 American Chemical Society

  19. First study of the interference between initial and final state radiation at the Z resonance

    CERN Document Server

    Abreu, P; Adye, T; Agasi, E; Ajinenko, I; Aleksan, Roy; Alekseev, G D; Alemany, R; Allport, P P; Almehed, S; Amaldi, Ugo; Amato, S; Andreazza, A; Andrieux, M L; Antilogus, P; Apel, W D; Arnoud, Y; Åsman, B; Augustin, J E; Augustinus, A; Baillon, Paul; Bambade, P; Barate, R; Barbi, M S; Bardin, Dimitri Yuri; Baroncelli, A; Bärring, O; Barrio, J A; Bartl, Walter; Bates, M J; Battaglia, Marco; Baubillier, M; Baudot, J; Becks, K H; Begalli, M; Beillière, P; Belokopytov, Yu A; Belous, K S; Benvenuti, Alberto C; Berggren, M; Bertrand, D; Bianchi, F; Bigi, M; Bilenky, S M; Billoir, P; Bloch, D; Blume, M; Blyth, S; Bolognese, T; Bonesini, M; Bonivento, W; Booth, P S L; Borisov, G; Bosio, C; Bosworth, S; Botner, O; Boudinov, E; Bouquet, B; Bourdarios, C; Bowcock, T J V; Bozzo, M; Branchini, P; Brand, K D; Brenke, T; Brenner, R A; Bricman, C; Brillault, L; Brown, R C A; Brückman, P; Brunet, J M; Bugge, L; Buran, T; Burgsmüller, T; Buschmann, P; Buys, A; Cabrera, S; Caccia, M; Calvi, M; Camacho-Rozas, A J; Camporesi, T; Canale, V; Canepa, M; Cankocak, K; Cao, F; Carena, F; Carroll, L; Caso, Carlo; Castillo-Gimenez, M V; Cattai, A; Cavallo, F R; Cerrito, L; Chabaud, V; Charpentier, P; Chaussard, L; Chauveau, J; Checchia, P; Chelkov, G A; Chen, M; Chierici, R; Chliapnikov, P V; Chochula, P; Chorowicz, V; Chudoba, J; Cindro, V; Collins, P; Contreras, J L; Contri, R; Cortina, E; Cosme, G; Cossutti, F; Crawley, H B; Crennell, D J; Crosetti, G; Cuevas-Maestro, J; Czellar, S; Dahl-Jensen, Erik; Dahm, J; D'Almagne, B; Dam, M; Damgaard, G; Dauncey, P D; Davenport, Martyn; Da Silva, W; Defoix, C; Deghorain, A; Della Ricca, G; Delpierre, P A; Demaria, N; De Angelis, A; de Boer, Wim; De Brabandere, S; De Clercq, C; La Vaissière, C de; De Lotto, B; De Min, A; De Paula, L S; De Saint-Jean, C; Dijkstra, H; Di Ciaccio, Lucia; Djama, F; Dolbeau, J; Dönszelmann, M; Doroba, K; Dracos, M; Drees, J; Drees, K A; Dris, M; Dufour, Y; Edsall, D M; Ehret, R; Eigen, G; Ekelöf, T J C; Ekspong, Gösta; Elsing, M; Engel, J P; Ershaidat, N; Erzen, B; Espirito-Santo, M C; Falk, E; Fassouliotis, D; Feindt, Michael; Ferrer, A; Filippas-Tassos, A; Firestone, A; Fischer, P A; Föth, H; Fokitis, E; Fontanelli, F; Formenti, F; Franek, B J; Frenkiel, P; Fries, D E C; Frodesen, A G; Fulda-Quenzer, F; Fuster, J A; Galloni, A; Gamba, D; Gandelman, M; García, C; García, J; Gaspar, C; Gasparini, U; Gavillet, P; Gazis, E N; Gelé, D; Gerber, J P; Gerdyukov, L N; Gibbs, M; Gokieli, R; Golob, B; Gopal, Gian P; Gorn, L; Górski, M; Guz, Yu; Gracco, Valerio; Graziani, E; Grosdidier, G; Grzelak, K; Gumenyuk, S A; Gunnarsson, P; Günther, M; Guy, J; Hahn, F; Hahn, S; Hallgren, A; Hamacher, K; Hao, W; Harris, F J; Hedberg, V; Henriques, R P; Hernández, J J; Herquet, P; Herr, H; Hessing, T L; Higón, E; Hilke, Hans Jürgen; Hill, T S; Holmgren, S O; Holt, P J; Holthuizen, D J; Hoorelbeke, S; Houlden, M A; Hrubec, Josef; Huet, K; Hultqvist, K; Jackson, J N; Jacobsson, R; Jalocha, P; Janik, R; Jarlskog, C; Jarlskog, G; Jarry, P; Jean-Marie, B; Johansson, E K; Jönsson, L B; Jönsson, P E; Joram, Christian; Juillot, P; Kaiser, M; Kapusta, F; Karafasoulis, K; Karlsson, M; Karvelas, E; Katsanevas, S; Katsoufis, E C; Keränen, R; Khokhlov, Yu A; Khomenko, B A; Khovanskii, N N; King, B J; Kjaer, N J; Klein, H; Klovning, A; Kluit, P M; Köne, B; Kokkinias, P; Koratzinos, M; Korcyl, K; Kourkoumelis, C; Kuznetsov, O; Kramer, P H; Krammer, Manfred; Kreuter, C; Kronkvist, I J; Krumshtein, Z; Krupinski, W; Kubinec, P; Kucewicz, W; Kurvinen, K L; Lacasta, C; Laktineh, I; Lamblot, S; Lamsa, J; Lanceri, L; Lane, D W; Langefeld, P; Last, I; Laugier, J P; Lauhakangas, R; Leder, Gerhard; Ledroit, F; Lefébure, V; Legan, C K; Leitner, R; Lemoigne, Y; Lemonne, J; Lenzen, Georg; Lepeltier, V; Lesiak, T; Liko, D; Lindner, R; Lipniacka, A; Lippi, I; Lörstad, B; Loken, J G; López, J M; Loukas, D; Lutz, P; Lyons, L; MacNaughton, J N; Maehlum, G; Maio, A; Malychev, V; Mandl, F; Marco, J; Marco, R P; Maréchal, B; Margoni, M; Marin, J C; Mariotti, C; Markou, A; Maron, T; Martínez-Rivero, C; Martínez-Vidal, F; Martí i García, S; Masik, J; Matorras, F; Matteuzzi, C; Matthiae, Giorgio; Mazzucato, M; McCubbin, M L; McKay, R; McNulty, R; Medbo, J; Merk, M; Meroni, C; Meyer, S; Meyer, W T; Michelotto, M; Migliore, E; Mirabito, L; Mitaroff, Winfried A; Mjörnmark, U; Moa, T; Møller, R; Mönig, K; Monge, M R; Morettini, P; Müller, H; Mundim, L M; Murray, W J; Muryn, B; Myatt, Gerald; Naraghi, F; Navarria, Francesco Luigi; Navas, S; Nawrocki, K; Negri, P; Neumann, W; Neumeister, N; Nicolaidou, R; Nielsen, B S; Nieuwenhuizen, M; Nikolaenko, V; Niss, P; Nomerotski, A; Normand, Ainsley; Novák, M; Oberschulte-Beckmann, W; Obraztsov, V F; Olshevskii, A G; Onofre, A; Orava, Risto; Österberg, K; Ouraou, A; Paganini, P; Paganoni, M; Pagès, P; Palka, H; Papadopoulou, T D; Papageorgiou, K; Pape, L; Parkes, C; Parodi, F; Passeri, A; Pegoraro, M; Peralta, L; Pernegger, H; Pernicka, Manfred; Perrotta, A; Petridou, C; Petrolini, A; Petrovykh, M; Phillips, H T; Piana, G; Pierre, F; Pimenta, M; Pindo, M; Plaszczynski, S; Podobrin, O; Pol, M E; Polok, G; Poropat, P; Pozdnyakov, V; Prest, M; Privitera, P; Pukhaeva, N; Pullia, Antonio; Radojicic, D; Ragazzi, S; Rahmani, H; Ratoff, P N; Read, A L; Reale, M; Rebecchi, P; Redaelli, N G; Regler, Meinhard; Reid, D; Renton, P B; Resvanis, L K; Richard, F; Richardson, J; Rídky, J; Rinaudo, G; Ripp, I; Romero, A; Roncagliolo, I; Ronchese, P; Roos, L; Rosenberg, E I; Rosso, E; Roudeau, Patrick; Rovelli, T; Rückstuhl, W; Ruhlmann-Kleider, V; Ruiz, A; Rybicki, K; Rybin, A; Saarikko, H; Sacquin, Yu; Sadovskii, A; Sajot, G; Salt, J; Sánchez, J; Sannino, M; Schimmelpfennig, M; Schneider, H; Schwickerath, U; Schyns, M A E; Sciolla, G; Scuri, F; Seager, P; Sedykh, Yu; Segar, A M; Seitz, A; Sekulin, R L; Shellard, R C; Siccama, I; Siegrist, P; Simonetti, S; Simonetto, F; Sissakian, A N; Sitár, B; Skaali, T B; Smadja, G; Smirnov, N; Smirnova, O G; Smith, G R; Solovyanov, O; Sosnowski, R; Souza-Santos, D; Spassoff, Tz; Spiriti, E; Sponholz, P; Squarcia, S; Stanescu, C; Stapnes, Steinar; Stavitski, I; Stichelbaut, F; Stocchi, A; Strauss, J; Strub, R; Stugu, B; Szczekowski, M; Szeptycka, M; Tabarelli de Fatis, T; Tavernet, J P; Chikilev, O G; Tilquin, A; Timmermans, J; Tkatchev, L G; Todorov, T; Toet, D Z; Tomaradze, A G; Tomé, B; Tonazzo, A; Tortora, L; Tranströmer, G; Treille, D; Trischuk, W; Tristram, G; Trombini, A; Troncon, C; Tsirou, A L; Turluer, M L; Tyapkin, I A; Tyndel, M; Tzamarias, S; Überschär, B; Ullaland, O; Uvarov, V; Valenti, G; Vallazza, E; van Apeldoorn, G W; van Dam, P; Van Doninck, W K; Van Eldik, J; Vassilopoulos, N; Vegni, G; Ventura, L; Venus, W A; Verbeure, F; Verlato, M; Vertogradov, L S; Vilanova, D; Vincent, P; Vitale, L; Vlasov, E; Vodopyanov, A S; Vrba, V; Wahlen, H; Walck, C; Waldner, F; Weierstall, M; Weilhammer, Peter; Weiser, C; Wetherell, Alan M; Wicke, D; Wickens, J H; Wielers, M; Wilkinson, G R; Williams, W S C; Winter, M; Witek, M; Woschnagg, K; Yip, K; Yushchenko, O P; Zach, F; Zaitsev, A; Zalewska-Bak, A; Zalewski, Piotr; Zavrtanik, D; Zevgolatakos, E; Zimin, N I; Zito, M; Zontar, D; Zuberi, R; Zucchelli, G C; Zumerle, G

    1996-01-01

    The interference between initial and final state radiation in the process \\eemm\\ at $\\sqs \\approx \\MZ$ has been studied by measuring the forward-backward asymmetry as a function of the acoplanarity angle between the final state muons. The interference is expected to be sensitive to the space-time separation of the initial and final state radiation. The measured asymmetry distribution has been compared to theoretical predictions using the \\KORALZ\\ generator, with and without ørdalph\\ interference. The magnitude of the interference between initial and $ \\pm 0.06 $ (syst.) \\GeV} . \\end{center} has been extracted. The interpretation of this result is discussed. There is an additional uncertainty in the estimate of \\GZ\\ from as yet uncalculated higher order interference terms. By assuming a value of \\GZ\\ consistent with the world average, the data were used to estimate the size of these uncalculated corrections. The interference between initial and final state radiation in the process \\eemm\\ at \\sqs \\approx \\MZ h...

  20. A MCSCF method for ground and excited states based on full optimizations of successive Jacobi rotations.

    Science.gov (United States)

    Ivanic, Joseph; Ruedenberg, Klaus

    2003-07-30

    A new multiconfigurational self-consistent field (MCSCF) method based on successive optimizations of Jacobi rotation angles is presented. For given one- and two-particle density matrices and an initial set of corresponding integrals, a technique is developed for the determination of a Jacobi angle for the mixing of two orbitals, such that the exact energy, written as a function of the angle, is fully minimized. Determination of the energy-minimizing orbitals for given density matrices is accomplished by successive optimization and updating of Jacobi angles and integrals. The total MCSCF energy is minimized by alternating between CI and orbital optimization steps. Efficiency is realized by optimizing CI and orbital vectors quasi-simultaneously by not fully optimizing each in each improvement step. On the basis of the Jacobi-rotation based approach, a novel MCSCF procedure is formulated for excited states, which avoids certain shortcomings of traditional excited-state MCSCF methods. Applications to specific systems show the practicability of the developed methods.

  1. State-selective electron transfer and ionization in collisions of highly charged ions with ground-state Na(3s) and laser-excited Na*(3p)

    NARCIS (Netherlands)

    Blank, I.; Otranto, S.; Meinema, C.; Olson, R. E.; Hoekstra, R.

    2012-01-01

    Single electron transfer and ionization in collisions of N5+ and Ne8+ with ground state Na(3s) and laser excited Na*(3p) are investigated both experimentally and theoretically at collision energies from 1 to 10 keV/amu, which includes the classical orbital velocity of the valence electron.

  2. Ground motion-simulations of 1811-1812 New Madrid earthquakes, central United States

    Science.gov (United States)

    Ramirez-Guzman, L.; Graves, Robert; Olsen, Kim B.; Boyd, Oliver; Cramer, Chris H.; Hartzell, Stephen; Ni, Sidao; Somerville, Paul G.; Williams, Robert; Zhong, Jinquan

    2015-01-01

    We performed a suite of numerical simulations based on the 1811–1812 New Madrid seismic zone (NMSZ) earthquakes, which demonstrate the importance of 3D geologic structure and rupture directivity on the ground‐motion response throughout a broad region of the central United States (CUS) for these events. Our simulation set consists of 20 hypothetical earthquakes located along two faults associated with the current seismicity trends in the NMSZ. The hypothetical scenarios range in magnitude from M 7.0 to 7.7 and consider various epicenters, slip distributions, and rupture characterization approaches. The low‐frequency component of our simulations was computed deterministically up to a frequency of 1 Hz using a regional 3D seismic velocity model and was combined with higher‐frequency motions calculated for a 1D medium to generate broadband synthetics (0–40 Hz in some cases). For strike‐slip earthquakes located on the southwest–northeast‐striking NMSZ axial arm of seismicity, our simulations show 2–10 s period energy channeling along the trend of the Reelfoot rift and focusing strong shaking northeast toward Paducah, Kentucky, and Evansville, Indiana, and southwest toward Little Rock, Arkansas. These waveguide effects are further accentuated by rupture directivity such that an event with a western epicenter creates strong amplification toward the northeast, whereas an eastern epicenter creates strong amplification toward the southwest. These effects are not as prevalent for simulations on the reverse‐mechanism Reelfoot fault, and large peak ground velocities (>40  cm/s) are typically confined to the near‐source region along the up‐dip projection of the fault. Nonetheless, these basin response and rupture directivity effects have a significant impact on the pattern and level of the estimated intensities, which leads to additional uncertainty not previously considered in magnitude estimates of the 1811–1812 sequence based only on historical

  3. Phase diagram of the hexagonal lattice quantum dimer model: Order parameters, ground-state energy, and gaps

    Science.gov (United States)

    Schlittler, Thiago M.; Mosseri, Rémy; Barthel, Thomas

    2017-11-01

    The phase diagram of the quantum dimer model on the hexagonal (honeycomb) lattice is computed numerically, extending on earlier work by Moessner, Sondhi, and Chandra. The different ground state phases are studied in detail using several local and global observables. In addition, we analyze imaginary-time correlation functions to determine ground state energies as well as gaps to the first excited states. This leads in particular to a confirmation that the intermediary so-called plaquette phase is gapped. On the technical side, we describe an efficient world-line quantum Monte Carlo algorithm with improved cluster updates that increase acceptance probabilities by taking account of potential terms of the Hamiltonian during the cluster construction. The Monte Carlo simulations are supplemented with variational computations.

  4. Glassy magnetic ground state and Kondo-like behaviour in Mn10FeGe8 alloy

    Science.gov (United States)

    Pramanick, S.; Dutta, P.; Majumdar, S.; Chatterjee, S.

    2017-12-01

    We report a detailed investigation of the ground-state magnetic properties of newly synthesized Mn10 FeGe8 alloy. The sample can be thought of being derived by substituting one Mn atom by Fe of the parent compound Mn11 Ge8 . Fe-substitution leads to a drastic change in the magnetic ground state as well as to the magneto-transport properties of the parent alloy. On cooling below 250 K, Mn10 FeGe8 undergoes a transition from paramagnetic phase to a state having significant ferromagnetic correlations. The ground state is found to be canonical spin glass (CSG) type in nature as evident from the dc magnetization and ac susceptibility measurements. Interestingly, the resistivity data shows an upturn at low temperature below about 30 K, mimicking Kondo-like behaviour. Mn10 FeGe8 turns out to be a rare example among 3d transition metal alloys, where a Kondo-like state coexists within a CSG phase.

  5. Pentadactyl ground state of the manus of Alligator mississippiensis and insights into the evolution of digital reduction in Archosauria.

    Science.gov (United States)

    Larsson, Hans C E; Heppleston, Audrey C; Elsey, Ruth M

    2010-11-15

    The three-fingered state of the avian manus poses intriguing questions about the evolution of digit reduction. Although digit reduction in most tetrapods appears to be the product of straightforward digit loss, avian digit reduction may have occurred with a dissociation of digit position from digit identity. The three digits of birds have the ancestral identities of I, II, and III but develop from an early pentadactyl ground state from digital anlage 2, 3, and 4. A series of hypotheses have been proposed in an attempt to explain this disparity, including a recent suggestion that the anteriormost condensation visible in the avian limb bud is in fact a vestigial structure from a hexadactyl ancestral ground state. We investigated this proposal by presenting sets of compatible evolutionary developmental trajectories starting from a hexadactyl state to test hypotheses of digit reduction. The development of skeletogenic mesenchymal condensations in a crocodylian, the closest extant relative to birds, is used to identify any extra precartiloginous digital vestiges. A developmental series of Alligator mississippiensis forelimb buds reveal only five digital anlagen, supports a pentadactyl ground state for the archosaurian manus, and rejects portions of the evolutionary developmental trajectories proposed. This condition lends further support to the contribution of a homeotic transformation during digit reduction in avian ancestry to account for the dissociation between digital identity and developmental position. Copyright © 2010 Wiley-Liss, Inc., A Wiley Company.

  6. EnviroAtlas - Below Ground Live Tree Biomass Carbon Storage for the Conterminous United States- Forested

    Data.gov (United States)

    U.S. Environmental Protection Agency — This EnviroAtlas dataset includes the average below ground live tree root dry biomass estimate for the Watershed Boundary Dataset (WBD) 12-digit Hydrologic Unit...

  7. EnviroAtlas - Above Ground Live Biomass Carbon Storage for the Conterminous United States- Forested

    Data.gov (United States)

    U.S. Environmental Protection Agency — This EnviroAtlas dataset includes the average above ground live dry biomass estimate for the Watershed Boundary Dataset (WBD) 12-digit Hydrologic Unit (HUC) in kg/m...

  8. Theoretical study on reaction mechanism of ground-state cyano radical with 1,3-butadiene: prospect of pyridine formation.

    Science.gov (United States)

    Sun, B J; Huang, C H; Chen, S Y; Chen, S H; Kaiser, R I; Chang, A H H

    2014-09-11

    The reaction of ground-state cyano radicals, CN(X(2)Σ(+)), with the simplest polyene, 1,3-butadiene (C4H6(X(1)Ag)), is investigated to explore probable routes and feasibility to form pyridine at ultralow temperatures. The isomerization and dissociation channels for each of the seven initial collision complexes are characterized by utilizing the unrestricted B3LYP/cc-pVTZ and the CCSD(T)/cc-pVTZ calculations. With facilitation of RRKM rate constants, through ab initio paths composed of 7 collision complexes, 331 intermediates, 62 hydrogen atom, 71 hydrogen molecule, and 3 hydrogen cyanide dissociated products, the most probable paths at collision energies up to 10 kcal/mol, and thus the reaction mechanism, are determined. Subsequently, the corresponding rate equations are solved that the concentration evolutions of collision complexes, intermediates, and products versus time are obtained. As a result, the final products and yields are determined. The low-energy routes for the formation of most thermodynamically stable product, pyridine, are identified. This study, however, predicts that seven collision complexes would produce predominately 1-cyano-1,3-butadiene, CH2CHCHCHCN (p2) plus atomic hydrogen via the collision complex c1(CH2CHCHCH2CN) and intermediate i2(CH2CHCH2CHCN), with a very minor amount of pyridine. Our scheme also effectively excludes the presence of 2-cyano-1,3-butadiene, which has energy near-degenerate to 1-cyano-1,3-butadiene, as supported by experimental findings.

  9. An Investigation of the Influence of Initial Roughness on the Friction and Wear Behavior of Ground Surfaces.

    Science.gov (United States)

    Liang, Guoxing; Schmauder, Siegfried; Lyu, Ming; Schneider, Yanling; Zhang, Cheng; Han, Yang

    2018-02-04

    Friction and wear tests were performed on AISI 1045 steel specimens with different initial roughness parameters, machined by a creep-feed dry grinding process, to study the friction and wear behavior on a pin-on-disc tester in dry sliding conditions. Average surface roughness (Ra), root mean square (Rq), skewness (Rsk) and kurtosis (Rku) were involved in order to analyse the influence of the friction and wear behavior. The observations reveal that a surface with initial roughness parameters of higher Ra, Rq and Rku will lead to a longer initial-steady transition period in the sliding tests. The plastic deformation mainly concentrates in the depth of 20-50 μm under the worn surface and the critical plastic deformation is generated on the rough surface. For surfaces with large Ra, Rq, low Rsk and high Rku values, it is easy to lose the C element in, the reciprocating extrusion.

  10. An Investigation of the Influence of Initial Roughness on the Friction and Wear Behavior of Ground Surfaces

    Science.gov (United States)

    Liang, Guoxing; Schmauder, Siegfried; Lyu, Ming; Schneider, Yanling; Zhang, Cheng; Han, Yang

    2018-01-01

    Friction and wear tests were performed on AISI 1045 steel specimens with different initial roughness parameters, machined by a creep-feed dry grinding process, to study the friction and wear behavior on a pin-on-disc tester in dry sliding conditions. Average surface roughness (Ra), root mean square (Rq), skewness (Rsk) and kurtosis (Rku) were involved in order to analyse the influence of the friction and wear behavior. The observations reveal that a surface with initial roughness parameters of higher Ra, Rq and Rku will lead to a longer initial-steady transition period in the sliding tests. The plastic deformation mainly concentrates in the depth of 20–50 μm under the worn surface and the critical plastic deformation is generated on the rough surface. For surfaces with large Ra, Rq, low Rsk and high Rku values, it is easy to lose the C element in, the reciprocating extrusion. PMID:29401703

  11. An Investigation of the Influence of Initial Roughness on the Friction and Wear Behavior of Ground Surfaces

    Directory of Open Access Journals (Sweden)

    Guoxing Liang

    2018-02-01

    Full Text Available Friction and wear tests were performed on AISI 1045 steel specimens with different initial roughness parameters, machined by a creep-feed dry grinding process, to study the friction and wear behavior on a pin-on-disc tester in dry sliding conditions. Average surface roughness (Ra, root mean square (Rq, skewness (Rsk and kurtosis (Rku were involved in order to analyse the influence of the friction and wear behavior. The observations reveal that a surface with initial roughness parameters of higher Ra, Rq and Rku will lead to a longer initial-steady transition period in the sliding tests. The plastic deformation mainly concentrates in the depth of 20–50 μm under the worn surface and the critical plastic deformation is generated on the rough surface. For surfaces with large Ra, Rq, low Rsk and high Rku values, it is easy to lose the C element in, the reciprocating extrusion.

  12. Baseline levels and trends of ground level ozone in Canada and the United States

    Directory of Open Access Journals (Sweden)

    E. Chan

    2010-09-01

    Full Text Available A statistical method was developed to extract baseline levels of ground level ozone in Canada and the US, and to quantify the temporal changes of baseline ozone levels on annual, seasonal, diurnal and decadal scales for the period 1997 to 2006 based on ground-level observations from 97 non-urban monitoring sites. Baseline ozone is defined here as ozone measured at a given site in the absence of strong local influences. The quantification of baseline levels involved using a Principal Component Analyses (PCA to derive groups of commonly-varying sites in contiguous regions by season, followed by using backward air parcel trajectories to systematically select ozone mixing ratios associated with the baseline condition in each of the PCA-derived regions. Decadal trends were estimated by season for each of the regions using a generalized linear mixed model (GLMM.

    Baseline ozone mixing ratios determined by this method were found to vary geographically and seasonally. For the 1997–2006 period, baseline mixing ratios were calculated for annual and seasonal periods in seven regions of North America based on multi-site multi-year averages of the baseline data sets. The annual average (±1 standard deviation baseline mixing ratios for the regions are as follows: Continental Eastern Canada=30±9 ppb, Continental Eastern US=30±10 ppb, Coastal Eastern Canada=27±9 ppb, Coastal Western Canada=19±10 ppb; Coastal Western US=39±10 ppb, Continental Western Canada=28±10 ppb and Continental Western US=46±7 ppb. Trends in the baseline mixing ratios were also found to vary by season and by geographical region. On a decadal scale, increasing baseline ozone trends (temperature-adjusted were observed in all seasons along the Pacific coasts of Canada and the US, although the trends in California were not statistically significant. In the coastal zone of Pacific Canada, positive

  13. Finding Common Ground: Use of a Geographically-Framed Landscape Template as an Integrating Platform for an International Education Initiative

    Science.gov (United States)

    Brierley, Gary; Li, Xilai; Qiao, Youming; Huang, He Qing; Wang, Zhaoyin

    2018-01-01

    This situated case study outlines how a place-based landscape template provided an integrative platform for the environmental arm of a cross-disciplinary international education initiative, the Three Brothers Project, wherein geographers at the University of Auckland worked alongside engineers at Tsinghua University in Beijing to support…

  14. Noncontact electrosurgical grounding--a useful and safe tool in the initial surgical management of thermal injuries.

    Science.gov (United States)

    Liodaki, E; Stang, F H; Lohmeyer, J A; Bergmann, P A; Mailänder, P; Siemers, F

    2013-02-01

    Electrosurgical instruments - one of the useful and most-used instruments within the surgeon's armamentarium - are potentially dangerous by causing unanticipated direct burns; fire occurring as a result of electrosurgical instruments and electromagnetic interference with a pacemaker, defibrillator, or cardiac monitoring device. The Mega 2000 Patient Return Electrode System produced by Megadyne Medical Products is a noncontact electrode designed to provide adequate electrical return to facilitate function of electrocautery devices. We used this noncontact device in 67 patients (28 women, 39 men) with large burns during their stay in our burn unit and in 11 of these patients (4 women, 7 men) for escharotomies during admission in our burn care. The device functioned well in all cases, no additional cutaneous burns on the patients' body were noticed. This paper is a review of our experience with this noncontact electrosurgical grounding in burn surgery highlighting its advantages comparing with the conventional electrosurgical instruments. Copyright © 2012 Elsevier Ltd and ISBI. All rights reserved.

  15. Kinetically blocked stable heptazethrene and octazethrene: Closed-shell or open-shell in the ground state?

    KAUST Repository

    Li, Yuan

    2012-09-12

    Polycyclic aromatic hydrocarbons with an open-shell singlet biradical ground state are of fundamental interest and have potential applications in materials science. However, the inherent high reactivity makes their synthesis and characterization very challenging. In this work, a convenient synthetic route was developed to synthesize two kinetically blocked heptazethrene (HZ-TIPS) and octazethrene (OZ-TIPS) compounds with good stability. Their ground-state electronic structures were systematically investigated by a combination of different experimental methods, including steady-state and transient absorption spectroscopy, variable temperature NMR, electron spin resonance (ESR), superconducting quantum interfering device (SQUID), FT Raman, and X-ray crystallographic analysis, assisted by unrestricted symmetry-broken density functional theory (DFT) calculations. All these demonstrated that the heptazethrene derivative HZ-TIPS has a closed-shell ground state while its octazethrene analogue OZ-TIPS with a smaller energy gap exists as an open-shell singlet biradical with a large measured biradical character (y = 0.56). Large two-photon absorption (TPA) cross sections (σ(2)) were determined for HZ-TIPS (σ(2)max = 920 GM at 1250 nm) and OZ-TIPS (σ(2)max = 1200 GM at 1250 nm). In addition, HZ-TIPS and OZ-TIPS show a closely stacked 1D polymer chain in single crystals. © 2012 American Chemical Society.

  16. Ground and excited state properties of high performance anthocyanidin dyes-sensitized solar cells in the basic solutions

    Energy Technology Data Exchange (ETDEWEB)

    Prima, Eka Cahya [Advanced Functional Material Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia); Computational Material Design and Quantum Engineering Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia); International Program on Science Education, Universitas Pendidikan Indonesia (Indonesia); Yuliarto, Brian; Suyatman, E-mail: yatman@tf.itb.ac.id [Advanced Functional Material Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia); Dipojono, Hermawan Kresno [Computational Material Design and Quantum Engineering Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia)

    2015-09-30

    The aglycones of anthocyanidin dyes were previously reported to form carbinol pseudobase, cis-chalcone, and trans-chalcone due to the basic levels. The further investigations of ground and excited state properties of the dyes were characterized using density functional theory with PCM(UFF)/B3LYP/6-31+G(d,p) level in the basic solutions. However, to the best of our knowledge, the theoretical investigation of their potential photosensitizers has never been reported before. In this paper, the theoretical photovoltaic properties sensitized by dyes have been successfully investigated including the electron injections, the ground and excited state oxidation potentials, the estimated open circuit voltages, and the light harvesting efficiencies. The results prove that the electronic properties represented by dyes’ LUMO-HOMO levels will affect to the photovoltaic performances. Cis-chalcone dye is the best anthocyanidin aglycone dye with the electron injection spontaneity of −1.208 eV, the theoretical open circuit voltage of 1.781 V, and light harvesting efficiency of 56.55% due to the best HOMO-LUMO levels. Moreover, the ethanol solvent slightly contributes to the better cell performance than the water solvent dye because of the better oxidation potential stabilization in the ground state as well as in the excited state. These results are in good agreement with the known experimental report that the aglycones of anthocyanidin dyes in basic solvent are the high potential photosensitizers for dye-sensitized solar cell.

  17. Spectral Assignments and Analysis of the Ground State of Nitromethane in High-Resolution FTIR Synchrotron Spectra

    Science.gov (United States)

    Twagirayezu, Sylvestre; Billinghurst, Brant E.; May, Tim E.; Dawadi, Mahesh B.; Perry, David S.

    2014-06-01

    The Fourier Transform infrared spectra of CH3NO2, have been recorded, in the 400-950 wn spectral region, at a resolution of 0.00096 wn, using the Far-Infrared Beamline at Canadian Light Source. The observed spectra contain four fundamental vibrations: the NO2 in-plane rock (475.2 wn), the NO2 out-of-plane rock (604.9 wn), the NO2 symmetric bend (657.1 wn), and the CN-stretch (917.2 wn). For the lowest torsional state of CN-stretch and NO2 in-plane rock, transitions involving quantum numbers, " = 0; " {≤ 50} and {_a}" {≤ 10}, have been assigned with the aid of an automated ground state combination difference program together with a traditional Loomis Wood approach Ground state combination differences derived from more than 2100 infrared transitions have been fit with the six-fold torsion-rotation program developed by Ilyushin et al. Additional sextic and octic centrifugal distortion parameters are derived for the ground vibrational state. C. F. Neese., An Interactive Loomis-Wood Package, V2.0, {56th},OSU Interanational Symposium on Molecular Spectroscopy (2001). V. V. Ilyushin, Z. Kisiel, L. Pszczolkowski, H. Mader, and J. T. Hougen, J. Mol. Spectrosc., 259, 26, (2010).

  18. Ground and excited state properties of high performance anthocyanidin dyes-sensitized solar cells in the basic solutions

    International Nuclear Information System (INIS)

    Prima, Eka Cahya; Yuliarto, Brian; Suyatman; Dipojono, Hermawan Kresno

    2015-01-01

    The aglycones of anthocyanidin dyes were previously reported to form carbinol pseudobase, cis-chalcone, and trans-chalcone due to the basic levels. The further investigations of ground and excited state properties of the dyes were characterized using density functional theory with PCM(UFF)/B3LYP/6-31+G(d,p) level in the basic solutions. However, to the best of our knowledge, the theoretical investigation of their potential photosensitizers has never been reported before. In this paper, the theoretical photovoltaic properties sensitized by dyes have been successfully investigated including the electron injections, the ground and excited state oxidation potentials, the estimated open circuit voltages, and the light harvesting efficiencies. The results prove that the electronic properties represented by dyes’ LUMO-HOMO levels will affect to the photovoltaic performances. Cis-chalcone dye is the best anthocyanidin aglycone dye with the electron injection spontaneity of −1.208 eV, the theoretical open circuit voltage of 1.781 V, and light harvesting efficiency of 56.55% due to the best HOMO-LUMO levels. Moreover, the ethanol solvent slightly contributes to the better cell performance than the water solvent dye because of the better oxidation potential stabilization in the ground state as well as in the excited state. These results are in good agreement with the known experimental report that the aglycones of anthocyanidin dyes in basic solvent are the high potential photosensitizers for dye-sensitized solar cell

  19. The Fertile Grounds Initiative: A new way to close nutrient flows at regional level resulting in better agricultural productivity and less environmental losses

    Science.gov (United States)

    van Beek, Christy; van Duivenbooden, Niek; Noij, Gert-Jan

    2014-05-01

    The threat of declining soil fertility levels is well known. Yet, and despite numerous efforts, we seem incapable of changing the current situation of sink areas in developed countries and depletion areas in developing countries. With negative consequences (i.e. loss in productive capacity and loss in environmental quality) in both areas. Moreover, due to globalization and urbanization nutrient flows become increasingly disconnected. Soil nutrient depletion cannot simply be compensated for with mineral fertilisers, for the following reasons: • mineral fertilisers are often not affordable for smallholders and fertiliser subsidy systems are not always successful • mineral fertilisers do not contain organic matter and therefore do not halt the degradation of the soil • mineral fertilisers work best in combination with organic sources of nutrients (compost, farm yard manure, etc.) • To halt soil degradation an integrated approach is needed, including reducing losses of nutrients and organic matter from soils at risk. Presently, more actors are getting involved in reallocation of nutrients, especially in the energy and waste sector. Time has come for a new approach to bring together demands and supplies for nutrients. We therefore present the Fertile Grounds Initiative: a broker for nutrient supply and demand in the region. The Fertile Grounds Initiative is based on the findings that: • Organic ánd mineral nutrients are required for increased and sustainable production; • Nutrients have a value and should be treated as such; • Due to globalization and urbanization nutrient flows are ever more polarized between depletion and concentration areas; • The demand for energy poses new threats and opportunities for nutrient management. In the Fertile Grounds Initiative nutrient suppliers from the energy sector, waste management, fertilizer companies, etc. and demands for nutrients from farmers are brought together in a dynamic platform. This platform acts as a

  20. From ground state to fission fragments: A complex, multi-dimensional multi-path problem

    Energy Technology Data Exchange (ETDEWEB)

    Moeller, P. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan); Nix, J.R. [Los Alamos National Lab., NM (United States); Swiatecki, W.J. [Lawrence Berkeley Lab., CA (United States)

    1992-03-01

    Experimental results on the fission properties of nuclei close to {sup 264}Fm show sudden and large changes with a change of only one or two neutrons or protons. The nucleus {sup 258}Fm, for instance, undergoes symmetric fission with a half-life of about 0.4 ms and a kinetic-energy distribution peaked at about 235 MeV whereas {sup 256}Fm undergoes asymmetric fission with a half-life of about 3 h and a kinetic-energy distribution peaked at about 200 MeV. Qualitatively, these sudden changes have been postulated to be due to the emergence of fragment shells in symmetric-fission products close to {sup 132}Sn. Here we present a quantitative calculation that shows where high-kinetic-energy symmetric fusion occurs and why it is associated with a sudden and large decrease in fission half-lives. We base our study on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. We use the three-quadratic-surface parameterization to generate the shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. Since these shapes are thought to correspond to the scission shapes for the high-kinetic-energy events it is of crucial importance that a continuous sequence of shapes leading from the nuclear ground state to these configurations can be studied within the framework of the model. We present the results of the calculations in terms of potential-energy surfaces and fission half-lives for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. They clearly show the appearance of a second fission valley, which leads to scission configurations close to tow touching spheres, for fissioning systems in the vicinity of {sup 264}Fm.

  1. Validity of single term energy expression for ground state rotational band of even-even nuclei

    International Nuclear Information System (INIS)

    Sharma, S.; Kumar, R.; Gupta, J.B.

    2005-01-01

    Full text: There are large numbers of empirical studies of gs band of even-even nuclei in various mass regions. The Bohr-Mottelson's energy expression is E(I) = AX + BX 2 +CX 3 +... where X = I(I+1). The anharmonic vibrator energy expression is: E(I) = al + bl 2 + cl 3 SF model with energy expression: E(I)= pX + qI + rXI... where the terms represents the rotational, vibrational and R-V interaction energy, respectively. The validity f the various energy expressions with two terms had been tested by Sharma for light, medium and heavy mass regions using R I s. R 4 plots (where, spin I=6, 8, 10, 12), which are parameter independent. It was also noted, that of the goodness of energy expression can be judged with the minimum input of energies (i.e. only 2 parameters) and predictability's of the model p to high spins. Recently, Gupta et. al proposed a single term energy expression (SSTE) which was applied for rare earth region. This proposed power law reflected the unity of rotation - vibration in a different way and was successful in explaining the structure of gs-band. It will be useful for test the single term energy expression for light and heavy mass region. The single term expression for energy of ground state band can be written as: E I =axI b , where the index b and the coefficient a are the constant for the band. The values of b+1 and a 1 are as follows: b 1 =log(R 1 )/log(I/2) and a 1 =E I /I b ... The following results were gained: 1) The sharp variation in the value of index b at given spin will be an indication of the change in the shape of the nucleus; 2) The value of E I /I b is fairly constant with spin below back-bending, which reflects the stability of shape with spin; 3) This proposed power law is successful in explaining the structure of gs-band of nuclei

  2. Internal conversion to the electronic ground state occurs via two distinct pathways for pyrimidine bases in aqueous solution

    OpenAIRE

    Hare, Patrick M.; Crespo-Hernández, Carlos E.; Kohler, Bern

    2006-01-01

    The femtosecond transient absorption technique was used to study the relaxation of excited electronic states created by absorption of 267-nm light in all of the naturally occurring pyrimidine DNA and RNA bases in aqueous solution. The results reveal a surprising bifurcation of the initial excited-state population in

  3. Computation of Ground-State Properties in Molecular Systems: Back-Propagation with Auxiliary-Field Quantum Monte Carlo.

    Science.gov (United States)

    Motta, Mario; Zhang, Shiwei

    2017-11-14

    We address the computation of ground-state properties of chemical systems and realistic materials within the auxiliary-field quantum Monte Carlo method. The phase constraint to control the Fermion phase problem requires the random walks in Slater determinant space to be open-ended with branching. This in turn makes it necessary to use back-propagation (BP) to compute averages and correlation functions of operators that do not commute with the Hamiltonian. Several BP schemes are investigated, and their optimization with respect to the phaseless constraint is considered. We propose a modified BP method for the computation of observables in electronic systems, discuss its numerical stability and computational complexity, and assess its performance by computing ground-state properties in several molecular systems, including small organic molecules.

  4. Study of Ground State Wave-function of the Neutron-rich 29,30Na Isotopes through Coulomb Breakup

    Directory of Open Access Journals (Sweden)

    Rahaman A.

    2014-03-01

    Full Text Available Coulomb breakup of unstable neutron rich nuclei 29,30Na around the ‘island of inversion’ has been studied at energy around 434 MeV/nucleon and 409 MeV/nucleon respectively. Four momentum vectors of fragments, decay neutron from excited projectile and γ-rays emitted from excited fragments after Coulomb breakup are measured in coincidence. For these nuclei, the low-lying dipole strength above one neutron threshold can be explained by direct breakup model. The analysis for Coulomb breakup of 29,30Na shows that large amount of the cross section yields the 28Na, 29Na core in ground state. The predominant ground-state configuration of 29,30Na is found to be 28Na(g.s⊗νs1/2 and 29Na(g.s⊗νs1/2,respectively.

  5. 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 of the correl......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...... and solids. We also consider examples of barrier heights in chemical reactions, molecular adsorption, and graphene interacting with metal surfaces, which are three examples where the RPA has been successful. In these cases, the renormalized kernel provides results that are of equal quality or even slightly...

  6. Spin-Glass Ground State in a Triangular-Lattice Compound YbZnGaO4

    Science.gov (United States)

    Ma, Zhen; Wang, Jinghui; Dong, Zhao-Yang; Zhang, Jun; Li, Shichao; Zheng, Shu-Han; Yu, Yunjie; Wang, Wei; Che, Liqiang; Ran, Kejing; Bao, Song; Cai, Zhengwei; Čermák, P.; Schneidewind, A.; Yano, S.; Gardner, J. S.; Lu, Xin; Yu, Shun-Li; Liu, Jun-Ming; Li, Shiyan; Li, Jian-Xin; Wen, Jinsheng

    2018-02-01

    We report on comprehensive results identifying the ground state of a triangular-lattice structured YbZnGaO4 as a spin glass, including no long-range magnetic order, prominent broad excitation continua, and the absence of magnetic thermal conductivity. More crucially, from the ultralow-temperature ac susceptibility measurements, we unambiguously observe frequency-dependent peaks around 0.1 K, indicating the spin-glass ground state. We suggest this conclusion holds also for its sister compound YbMgGaO4 , which is confirmed by the observation of spin freezing at low temperatures. We consider disorder and frustration to be the main driving force for the spin-glass phase.

  7. Deterministic Electrical Charge-State Initialization of Single Nitrogen-Vacancy Center in Diamond

    Directory of Open Access Journals (Sweden)

    Y. Doi

    2014-03-01

    Full Text Available Apart from applications in classical information-processing devices, the electrical control of atomic defects in solids at room temperature will have a tremendous impact on quantum devices that are based on such defects. In this study, we demonstrate the electrical manipulation of individual prominent representatives of such atomic solid-state defects, namely, the negative charge state of single nitrogen-vacancy defect centers (NV^{−} in diamond. We experimentally demonstrate, deterministic, purely electrical charge-state initialization of individual NV centers. The NV centers are placed in the intrinsic region of a p-i-n diode structure that facilitates the delivery of charge carriers to the defect for charge-state switching. The charge-state dynamics of a single NV center were investigated by time-resolved measurements and a nondestructive single-shot readout of the charge state. Fast charge-state switching rates (from negative to neutrally charged defects, which are greater than 0.72 ± 0.10  μs^{−1}, were realized. Furthermore, in no-operation mode, the realized charge states were stable for presumably much more than 0.45 s. We believe that the results obtained are useful not only for ultrafast electrical control of qubits, long T_{2} quantum memory, and quantum sensors associated with single NV centers but also for classical memory devices based on single atomic storage bits working under ambient conditions.

  8. Initial Study of the Ground Beetles (Coleoptera: Carabidae and Other Invertebrates from “Leshnitsa” Nature Reserve(Central Stara Planina Mountains, Bulgaria

    Directory of Open Access Journals (Sweden)

    Teodora M. Teofilova

    2016-06-01

    Full Text Available The invertebrate fauna of the “Leshnitsa” nature reserve was studied, with particular consideration to the ground beetles. During the study altogether 394 specimens of carabid beetlesbelonging to 32 species and subspecies were captured, as well as 23 other invertebrate species,some of which are with a conservation significance (protected, Bulgarian and Balkan endemics.Ground beetles were characterized and classified according to their zoogeographical belonging,degree of endemism and the life forms they refer to. Threats for the invertebrate fauna and negativefactors of anthropogenic origin were determined and measures for diminishing of their effect wereproposed. So far the invertebrate fauna in this part of the mountain has been insufficiently studied.The real state of the diversity of this group in the area will be revealed only after futureinvestigations and discovery of additional new species for the region.

  9. Timing differences in the generation of ground reaction forces between the initial and secondary landing phases of the drop vertical jump ☆

    Science.gov (United States)

    Bates, Nathaniel A.; Ford, Kevin R.; Myer, Gregory D.; Hewett, Timothy E.

    2014-01-01

    Background Rapid impulse loads imparted on the lower extremity from ground contact when landing from a jump may contribute to ACL injury prevalence in female athletes. The drop jump and drop landing tasks enacted in the first and second landings of drop vertical jumps, respectively, have been shown to elicit separate neuromechanical responses. We examined the first and second landings of a drop vertical jump for differences in landing phase duration, time to peak force, and rate of force development. Methods 239 adolescent female basketball players completed drop vertical jumps from an initial height of 31 cm. In-ground force platforms and a three dimensional motion capture system recorded force and positional data for each trial. Findings Between the first and second landing, rate of force development experienced no change (P > 0.62), landing phase duration decreased (P = 0.01), and time to peak ground reaction force increased (P 0.12). Interpretation The current results have important implications for the future assessment of ACL injury risk behaviors. Rate of force development remained unchanged between first and second landings from equivalent fall height, while time to peak reaction force increased during the second landing. Neither factor was dependent on the total time duration of landing phase, which decreased during the second landing. Shorter time to peak force may increase ligament strain and better represent the abrupt joint loading that is associated with ACL injury risk. PMID:23899938

  10. Timing differences in the generation of ground reaction forces between the initial and secondary landing phases of the drop vertical jump.

    Science.gov (United States)

    Bates, Nathaniel A; Ford, Kevin R; Myer, Gregory D; Hewett, Timothy E

    2013-08-01

    Rapid impulse loads imparted on the lower extremity from ground contact when landing from a jump may contribute to ACL injury prevalence in female athletes. The drop jump and drop landing tasks enacted in the first and second landings of drop vertical jumps, respectively, have been shown to elicit separate neuromechanical responses. We examined the first and second landings of a drop vertical jump for differences in landing phase duration, time to peak force, and rate of force development. 239 adolescent female basketball players completed drop vertical jumps from an initial height of 31cm. In-ground force platforms and a three dimensional motion capture system recorded force and positional data for each trial. Between the first and second landing, rate of force development experienced no change (P>0.62), landing phase duration decreased (P=0.01), and time to peak ground reaction force increased (P0.12). The current results have important implications for the future assessment of ACL injury risk behaviors. Rate of force development remained unchanged between first and second landings from equivalent fall height, while time to peak reaction force increased during the second landing. Neither factor was dependent on the total time duration of landing phase, which decreased during the second landing. Shorter time to peak force may increase ligament strain and better represent the abrupt joint loading that is associated with ACL injury risk. © 2013.

  11. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    KAUST Repository

    Song, Yin

    2015-06-07

    © 2015 AIP Publishing LLC. Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S (λ 1, T∼ 2, λ 3)) along the population time (T∼ 2) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S (λ 1, ν∼ 2, λ 3)). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ ν∼ 2) in the rephasing beating map and at negative frequency (- ν∼ 2) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.

  12. Modulation of Soil Initial State on WRF Model Performance Over China

    Science.gov (United States)

    Xue, Haile; Jin, Qinjian; Yi, Bingqi; Mullendore, Gretchen L.; Zheng, Xiaohui; Jin, Hongchun

    2017-11-01

    The soil state (e.g., temperature and moisture) in a mesoscale numerical prediction model is typically initialized by reanalysis or analysis data that may be subject to large bias. Such bias may lead to unrealistic land-atmosphere interactions. This study shows that the Climate Forecast System Reanalysis (CFSR) dramatically underestimates soil temperature and overestimates soil moisture over most parts of China in the first (0-10 cm) and second (10-25 cm) soil layers compared to in situ observations in July 2013. A correction based on the global optimal dual kriging is employed to correct CFSR bias in soil temperature and moisture using in situ observations. To investigate the impacts of the corrected soil state on model forecasts, two numerical model simulations—a control run with CFSR soil state and a disturbed run with the corrected soil state—were conducted using the Weather Research and Forecasting model. All the simulations are initiated 4 times per day and run 48 h. Model results show that the corrected soil state, for example, warmer and drier surface over the most parts of China, can enhance evaporation over wet regions, which changes the overlying atmospheric temperature and moisture. The changes of the lifting condensation level, level of free convection, and water transport due to corrected soil state favor precipitation over wet regions, while prohibiting precipitation over dry regions. Moreover, diagnoses indicate that the remote moisture flux convergence plays a dominant role in the precipitation changes over the wet regions.

  13. On the role of the ground state Tb(3)/acetylacetone complex in sensitized emission of Tb(3) in ethanol solution

    International Nuclear Information System (INIS)

    Lis, S.; Elbanowski, M.; Marciniak, B.

    1989-01-01

    The Tb(3)-acetylacetone system in ethanol solution has been studied by spectroscopic methods. The formation of a Tb(3)/acetylacetone (1:1) complex in the ground state has been proved and its stability constant determined, K = (0,97 ± 0,06).10 4 dm 3 mol -1 . The role of this complex in the spectrofluorimetric determination of Ln(3) ions in the presence of acetylacetone has been discussed. (Authors)

  14. A Theoretical Study of the Ground and Excited States of the CHCl2+ Dication and the CHCl+ Cation

    Czech Academy of Sciences Publication Activity Database

    Roithová, Jana; Hrušák, Jan; Herman, Zdeněk

    2003-01-01

    Roč. 228, - (2003), s. 497-506 ISSN 1387-3806 R&D Projects: GA ČR GA203/00/0632; GA AV ČR KJB4040302; GA MŠk ME 561 Institutional research plan: CEZ:AV0Z4040901 Keywords : dications * ground and excited states * ionization energy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.361, year: 2003

  15. Details of the general numerical solutions of the Friedberg-Lee soliton model for ground and exited states

    International Nuclear Information System (INIS)

    Koeppel, T.; Harvey, M.

    1984-06-01

    A new numerical method is applied to solving the equations of motion of the Friedberg-Lee Soliton model for both ground and spherically symmetric excited states. General results have been obtained over a wide range of parameters. Critical coupling constants and critical particle numbers have been determined below which soliton solutions cease to exist. The static properties of the proton are considered to show that as presently formulated the model fails to fit all experimental data for any set of parameters

  16. On ground states and Gibbs measures of Ising type models on a Cayley tree: A contour argument

    International Nuclear Information System (INIS)

    Rozikov, U.A.

    2004-04-01

    We consider the Ising model with competing J 1 and J 3 interactions with spin values ±1, on a Cayley tree of order 2 (with 3 neighbors). We study the structure of the ground states and verify the Peierls condition for the model. Our second result gives a description of Gibbs measures for ferromagnetic Ising model with J 1 2 = 0, using a contour argument which we also develop in the paper. (author)

  17. Vibrating sample magnetometer 2D and 3D magnetization effects associated with different initial magnetization states

    Directory of Open Access Journals (Sweden)

    Ronald E. Lukins

    2017-05-01

    Full Text Available Differences in VSM magnetization vector rotation associated with various initial magnetization states were demonstrated. Procedures and criteria were developed to select sample orientation and initial magnetization states to allow for the combination of two different 2D measurements runs (with the same field profiles to generate a dataset that can be representative of actual 3D magnetization rotation. Nickel, cast iron, and low moment magnetic tape media were used to demonstrate these effects using hysteresis and remanent magnetization test sequences. These results can be used to generate 2D and 3D magnetic properties to better characterize magnetic phenomena which are inherently three dimensional. Example applications are magnetic tape-head orientation sensitivity, reinterpretation of 3D coercivity and other standard magnetic properties, and multi-dimensional shielding effectiveness.

  18. Impact of the Initial State on BDS Real-Time Orbit Determination Filter Convergence

    Directory of Open Access Journals (Sweden)

    Yun Qing

    2018-01-01

    Full Text Available High precision real-time orbit of navigation satellites are usually predicted based on batch estimation solutions, which is highly dependent on the accuracy of the dynamic model. However, for the BDS satellites, the accuracy and reliability of the predicted orbit usually decrease due to the inaccurate dynamic model or orbit maneuvers. To improve this situation, the sequential estimation Square Root Information Filtering (SRIF was applied to determine the real-time BDS orbits. In the filter algorithm, usually a long period is required for the orbit to converge to the final accuracy, due to lake of accurate initial state. This paper focuses on the impact of the initial state with different a priori Standard Deviation (STD on the BDS orbit convergence performance in both normal and abnormal periods. For the normal period, the Ultra-Rapid (UR orbit products and the Broadcast Ephemerides (BRDC used as initial orbits are discussed respectively. For the abnormal period, orbit maneuver is analyzed. Experimental results show that a proper a priori STD of initial state can significantly accelerate the orbit convergence, while a loose a priori STD takes more than 10 h to converge in the radial direction for the BDS GEO/IGSO/MEO satellites. When the UR orbit product is used as the initial orbit, the orbit of the IGSO/MEO satellites can converge to decimeter-level immediately. When the BRDC product is used, the accuracy of meter-level can be obtained for the IGSO/MEO immediately, and converge to decimeter-level in about 6 h. For the period after the orbit maneuver, the real-time orbit accuracy can reach meter-level in about 6 h after the first group of broadcast ephemerides is received.

  19. Vibrational Relaxation of Ground-State Oxygen Molecules With Atomic Oxygen and Carbon Dioxide

    Science.gov (United States)

    Saran, D. V.; Pejakovic, D. A.; Copeland, R. A.

    2008-12-01

    Vertical water vapor profiles are key to understanding the composition and energy budget in the mesosphere and lower thermosphere (MLT). The SABER instrument onboard NASA's TIMED satellite measures such profiles by detecting H2O(ν2) emission in the 6.8 μm region. Collisional deactivation of vibrationally excited O2, O2(X3Σ-g, υ = 1) + H2O ↔ O2(X3Σ-g, υ = 0) + H2O(ν2), is an important source of H2O(ν2). A recent study has identified two other processes involving excited O2 that control H2O(ν2) population in the MLT: (1) the vibrational-translational (V-T) relaxation of O2(X3Σ-g, υ = 1) level by atomic oxygen and (2) the V-V exchange between CO2 and excited O2 molecules [1]. Over the past few years SRI researchers have measured the atomic oxygen removal process mentioned above at room temperature [2] and 240 K [3]. These measurements have been incorporated into the models for H2O(ν2) emission [1]. Here we report laboratory studies of the collisional removal of O2(X3Σ-g, υ = 1) by O(3P) at room temperature and below, reaching temperatures relevant to mesopause and polar summer MLT (~150 K). Instead of directly detecting the O2(X3Σ-g, υ = 1) population, a technically simpler approach is used in which the υ = 1 level of the O2(a1Δg) state is monitored. A two-laser method is employed, in which the pulsed output of the first laser near 285 nm photodissociates ozone to produce atomic oxygen and O2(a1Δg, υ = 1), and the pulsed output of the second laser detects O2(a1Δg, υ = 1) via resonance-enhanced multiphoton ionization. With ground-state O2 present, owing to the rapid equilibration of the O2(X3Σ-g, υ = 1) and O2(a1Δg, υ = 1) populations via the processes O2(a1Δg, υ = 1) + O2(X3Σ-g, υ = 0) ↔ O2(a1Δg, υ = 0) + O2(X3Σ-g, υ = 1), the information on the O2(X3Σ-g, υ = 1) kinetics is extracted from the O2(a1Δg, υ = 1) temporal evolution. In addition, measurements of the removal of O2(X3Σ-g, υ = 1) by CO2 at room temperature will also

  20. Transfer of polarization from the initial to the final state in deep inelastic lepton scattering

    International Nuclear Information System (INIS)

    Bigi, I.I.Y.

    1977-01-01

    It is suggested to look for reactions of the type polarized lepton+nucleon→polarized baryon+anything or lepton+polarized nucleon→polarized baryon+anything in the deep inelastic region. The observation of such a transfer of polarization from the initial to the final (hadronic) state could yield information on the underlying dynamics; it also offers the possibility to find clear signals for the production of ''new'' hadrons like charmed baryons. (author)

  1. Dynamical initial-state model for relativistic heavy-ion collisions

    Science.gov (United States)

    Shen, Chun; Schenke, Björn

    2018-02-01

    We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy-ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a fluctuating time depending on sampled final rapidities. Energy is deposited in space time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directly from the initial-state model, including net-baryon rapidity distributions, two-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. We also present the implementation of the model with 3+1-dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial-state model at proper times greater than the initial time for the hydrodynamic simulation.

  2. Quantum electrodynamics with nonrelativistic sources. V. Electromagnetic field correlations and intermolecular interactions between molecules in either ground or excited states

    International Nuclear Information System (INIS)

    Power, E.A.; Thirunamachandran, T.

    1993-01-01

    Spatial correlations between electromagnetic fields arising from neutral sources with electric-dipole transition moments are calculated using nonrelativistic quantum electrodynamics in the multipolar formalism. Expressions for electric-electric, magnetic-magnetic, and electric-magnetic correlation functions at two points r and r' are given for a source molecule in either a ground or an excited state. In contrast to the electric-electric and magnetic-magnetic cases there are no electric-magnetic correlations for a ground-state molecule. For an excited molecule the downward transitions contribute additional terms which have modulating factors depending on (r-r')/λ. From these correlation functions electric and magnetic energy densities are found by setting r=r'. These energy densities are then used in a response formalism to calculate intermolecular energy shifts. In the case of two ground-state molecules this leads to the Casimir-Polder potential. However, for a pair of molecules, one or both excited, there are additional terms arising from downward transitions. An important feature of these energies is that they exhibit an R -2 dependence for large intermolecular separations R. This dependence is interpreted in terms of the Poynting vector, which itself can be obtained by setting r=r' in the electric-magnetic correlation function

  3. Design, production and initial state of the backfill and plug in deposition tunnels

    Energy Technology Data Exchange (ETDEWEB)

    Boerjesson, Lennart; Gunnarsson, David; Johannesson, Lars-Erik; Jonsson, Esther

    2010-12-15

    The report is included in a set of Production reports, presenting how the KBS-3 repository is designed, produced and inspected. The set of reports is included in the safety report for the KBS-3 repository and repository facility. The report provides input on the initial state of the backfill and plug in deposition tunnels for the assessment of the long-term safety, SR-Site. The initial state refers to the properties of the engineered barriers once they have been finally placed in the KBS-3 repository and will not be further handled within the repository facility. In addition, the report provides input to the operational safety report, SR-Operation, on how the backfill and plug shall be handled and installed. The report presents the design premises and reference designs of the backfill and plug in deposition tunnels and verifies their conformity to the design premises. It also describes the production of the backfill from excavation and delivery of backfill material to installation in the deposition tunnel, and gives an outline of the installation of the plug. Finally, the initial states of the backfill and plug and their conformity to the reference designs and design premises are presented

  4. Exploring associations between state education initiatives and teachers' sleep: A social-ecological approach.

    Science.gov (United States)

    Fujishiro, Kaori; Farley, Amy N; Kellemen, Marie; Swoboda, Christopher M

    2017-10-01

    Social policies that are not specifically aimed at impacting health can still have health consequences. State education reforms, such as standardized testing and stringent accountability for schools and teachers, may affect teacher health by changing their working conditions. This study explores associations between state education initiatives and teachers' sleep, an important predictor of productivity and chronic health conditions. The Behavioral Risk Factor Surveillance System 2013 and 2014 data sets provided sleep and demographic data for 7836 teachers in 29 states in the United States. We linked the teacher data to state education reform data from the U.S. Department of Education. Logistic regression was used to estimate odds ratios (ORs) of reporting inadequate sleep (i.e., education policies after adjusting for demographic characteristics. Teachers had significantly higher odds of reporting inadequate sleep if their state financed professional development, sanctioned or rewarded schools based on student performance, and regulated classroom materials for state-wide common core standards (ORs ranging from 1.25 to 1.84). More strictly defined inadequate sleep (education policies may have impacts on teacher sleep. Consequences of education reform for teacher health deserve more attention. Published by Elsevier Ltd.

  5. Ground-Magnetic Study Of Ijapo Area Of Akure, Ondo State, Nigeria ...

    African Journals Online (AJOL)

    Ground-magnetic survey of Ijapo area in Akure township which is situated in the western part of Nigeria and falls within the Precambrian basement complex terrain of the country was carried out with the intention of determining and establishing the geologic structures, its potential for groundwater accumulation and ...

  6. Effects of Rashba and Dresselhaus spin-orbit interactions on the ground state of two-dimensional localized spins.

    Science.gov (United States)

    Oh, J H; Lee, K-J; Lee, Hyun-Woo; Shin, M

    2014-05-14

    Starting with the indirect exchange model influenced by the Rashba and the Dresselhaus spin-orbit interactions, we derive the Dzyaloshinskii-Moriya interaction of localized spins. The strength of the Dzyaloshinskii-Moriya interaction is compared with that of the Heisenberg exchange term as a function of atomic distance. Using the calculated interaction strengths, we discuss the formation of various atomic ground states as a function of temperature and external magnetic field. By plotting the magnetic field-temperature phase diagram, we present approximate phase boundaries between the spiral, Skyrmion and ferromagnetic states of the two-dimensional weak ferromagnetic system.

  7. Effects of Rashba and Dresselhaus spin–orbit interactions on the ground state of two-dimensional localized spins

    International Nuclear Information System (INIS)

    Oh, J H; Shin, M; Lee, K-J; Lee, Hyun-Woo

    2014-01-01

    Starting with the indirect exchange model influenced by the Rashba and the Dresselhaus spin–orbit interactions, we derive the Dzyaloshinskii–Moriya interaction of localized spins. The strength of the Dzyaloshinskii–Moriya interaction is compared with that of the Heisenberg exchange term as a function of atomic distance. Using the calculated interaction strengths, we discuss the formation of various atomic ground states as a function of temperature and external magnetic field. By plotting the magnetic field–temperature phase diagram, we present approximate phase boundaries between the spiral, Skyrmion and ferromagnetic states of the two-dimensional weak ferromagnetic system. (paper)

  8. Probabilistic low-rank factorization accelerates tensor network simulations of critical quantum many-body ground states

    Science.gov (United States)

    Kohn, Lucas; Tschirsich, Ferdinand; Keck, Maximilian; Plenio, Martin B.; Tamascelli, Dario; Montangero, Simone

    2018-01-01

    We provide evidence that randomized low-rank factorization is a powerful tool for the determination of the ground-state properties of low-dimensional lattice Hamiltonians through tensor network techniques. In particular, we show that randomized matrix factorization outperforms truncated singular value decomposition based on state-of-the-art deterministic routines in time-evolving block decimation (TEBD)- and density matrix renormalization group (DMRG)-style simulations, even when the system under study gets close to a phase transition: We report linear speedups in the bond or local dimension of up to 24 times in quasi-two-dimensional cylindrical systems.

  9. Electromagnetic-energy-density distribution around a ground-state hydrogen atom and connection with van der Waals forces

    International Nuclear Information System (INIS)

    Passante, R.; Power, E.A.

    1987-01-01

    A spinless hydrogen atom coupled to the electromagnetic field is considered within the context of nonrelativistic quantum electrodynamics. The atom-field interaction is taken in the minimal-coupling form and the Coulomb gauge is used. When the coupled system is in its ground state the electromagnetic field fluctuates away from the vacuum state and the atom has virtual admixtures from its uncoupled lowest eigenstate. The electric- and magnetic-field-energy densities that arise from the fluctuations are determined as functions of the distance from the atom. The relationship between these field-energy densities and the retarded long-range van der Waals forces is also discussed

  10. Nuclear magnetic resonance in high magnetic fields: Study of singlet-ground-state due to 1-D quantum spin effect

    Science.gov (United States)

    Chiba, Meiro; Ajiro, Yoshitami; Satoh, Eiji; Kubo, Takeji

    1996-02-01

    In one-dimensional (1-D) magnets the singlet-ground-state (SGS) due to the quantum spin effect is one of the most interesting phenomena. The temperature and the field dependences of the proton spin-lattice relaxation under magnetic fields up to 15 T have been observed for SGS materials, namely, NENP (Haldane system) and CuCI 2(γ-picoline) 2 (alternating antiferromagnetic chain). The results clearly show the excitation of SGS with a characteristic energy gap in the magnetic excited state. The observed relaxation rate is discussed in terms of the number of magnetic excitons in focussing on the dissimilarity between two systems.

  11. Toward Improved Reliability of Seasonal Hydrologic Forecast: Accounting for Initial Condition and State-Parameter Uncertainties

    Science.gov (United States)

    DeChant, C. M.; Moradkhani, H.

    2012-12-01

    Providing reliable estimates of seasonal water supply is a primary goal in operational hydro-meteorological prediction. In order to achieve this goal, it is accepted that hydrologists must accurately estimate forecast initial conditions (land surface states prior to forecast) and the future climate conditions, and quantify the uncertainty in these two forecast stages to provide a full estimation of the uncertainty in a given forecast. Recent work has highlighted the benefits of such a framework through advancing both land surface state estimation techniques and future climate estimation/modeling, within the operational Ensemble Streamflow Prediction (ESP) methodology. Often overlooked in this framework, the uncertainty in land surface state estimates play a key role in providing reliable seasonal forecasts. In order to quantify and reduce this uncertainty, land surface state-parameter estimation, through ensemble data assimilation, is performed with observations of snow and streamflow in a mountainous basin. Through incorporation of both snow and streamflow data for estimation of land surface states and parameters, the quantity of water stored at the land surface can be estimated, and parameter uncertainty can be estimated for seasonal simulations. With the inclusion of parameter uncertainty in the hydrologic forecasting framework, more robust quantification of hydrologic uncertainty is possible, leading to more useful forecasts for end users. This study seeks to examine the role of combined state-parameter estimation for characterization of initial conditions with the potential to be formally adopted in operational ESP framework, and validates results with probabilistic verification of both ESP and ESP with state-parameter estimation.

  12. The Gulf of Mexico Research Initiative Information and Data Cooperative: Multidisciplinary data management from the ground up

    Science.gov (United States)

    Showalter, L. M.; Gibeaut, J. C.

    2015-12-01

    As more journals and funding organizations require data to be made available, more and more scientists are being exposed to the world of data science, metadata development, and data standards so they can ensure future funding and publishing success. The Gulf of Mexico Research Initiative Information and Data Cooperative (GRIIDC) is the vehicle by which the Gulf of Mexico Research Initiative (GOMRI) is making all data collected in this program publically available. This varied group of researchers all have different levels of experience with data management standards and protocols, thus GRIIDC has evolved to embrace the cooperative nature of our work and develop a number of tools and training materials to help ensure data managers and researchers in the GoMRI program are submitting high quality data and metadata that will be useful for years to come. GRIIDC began with a group of 8 data managers many of which had only ever managed their own data, who were then expected to manage the data of a large group of geographically distant researchers. As the program continued to evolve these data managers worked with the GRIIDC team to help identify and develop much needed resources for training and communication for themselves and the scientists they represented. This essential cooperation has developed a team of highly motivated scientists, computer programmers and data scientists who are working to ensure a data and information legacy that promotes continual scientific discovery and public awareness of the Gulf of Mexico Ecosystem and beyond.

  13. Effective targeting of proton transfer at ground and excited states of ortho-(2'-imidazolyl)naphthol constitutional isomers.

    Science.gov (United States)

    Oliveira, Thaís C F; Carmo, Luiz F V; Murta, Bárbara; Duarte, Luís G T A; Nome, Rene A; Rocha, Willian R; Brandão, Tiago A S

    2015-01-28

    Steady-state and time-resolved spectroscopy and quantum chemical computational studies were employed to investigate ground and excited state proton transfer of a novel series of ortho-(1H-imidazol-2-yl)naphthol constitutional isomers: 1-(1H-imidazol-2-yl)naphthalen-2-ol (1NI2OH), 2-(1H-imidazol-2-yl)naphthalen-1-ol (2NI1OH) and 3-(1H-imidazol-2-yl)naphthalen-2-ol (3NI2OH). Proper Near Attack Conformations (NACs) involving a strong intramolecular hydrogen bond between the naphthol moiety and the ortho-imidazole group account for the highest ground state acidity of 2NI1OH compared with 1NI2OH and 3NI2OH. Moreover, ESIPT for 2NI1OH and 3NI2OH is further associated with planar chelate H-ring formation whereas 1NI2OH shows the highest ESIPT barrier and a noncoplanar imidazole group. In addition to energetic and structural requirements, the final state also depends on electronic configuration of the ESIPT product with the neutral 3NI2OH showing an ICT effect that correlates with the excited state pKa of the cationic species.

  14. Small RNA Sequencing Reveals Dlk1-Dio3 Locus-Embedded MicroRNAs as Major Drivers of Ground-State Pluripotency.

    Science.gov (United States)

    Moradi, Sharif; Sharifi-Zarchi, Ali; Ahmadi, Amirhossein; Mollamohammadi, Sepideh; Stubenvoll, Alexander; Günther, Stefan; Salekdeh, Ghasem Hosseini; Asgari, Sassan; Braun, Thomas; Baharvand, Hossein

    2017-12-12

    Ground-state pluripotency is a cell state in which pluripotency is established and maintained through efficient repression of endogenous differentiation pathways. Self-renewal and pluripotency of embryonic stem cells (ESCs) are influenced by ESC-associated microRNAs (miRNAs). Here, we provide a comprehensive assessment of the "miRNome" of ESCs cultured under conditions favoring ground-state pluripotency. We found that ground-state ESCs express a distinct set of miRNAs compared with ESCs grown in serum. Interestingly, most "ground-state miRNAs" are encoded by an imprinted region on chromosome 12 within the Dlk1-Dio3 locus. Functional analysis revealed that ground-state miRNAs embedded in the Dlk1-Dio3 locus (miR-541-5p, miR-410-3p, and miR-381-3p) promoted pluripotency via inhibition of multi-lineage differentiation and stimulation of self-renewal. Overall, our results demonstrate that ground-state pluripotency is associated with a unique miRNA signature, which supports ground-state self-renewal by suppressing differentiation. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

  15. Delineating shallow Neogene deformation structures in northeastern Pará State using Ground Penetrating Radar

    Directory of Open Access Journals (Sweden)

    Dilce F. Rossetti

    2003-06-01

    Full Text Available The geological characterization of shallow subsurface Neogene deposits in northeastern Pará State using Ground Penetrating Radar (GPR revealed normal and reverse faults, as well as folds, not yet well documented by field studies. The faults are identified mostly by steeply-dipping reflections that sharply cut the nearby reflections causing bed offsets, drags and rollovers. The folds are recognized by reflections that are highly undulating, configuring broad concave and convex-up features that are up to 50 m wide and 80 to 90 ns deep. These deformation structures are mostly developed within deposits of Miocene age, though some of the faults might continue into younger deposits as well. Although the studied GPR sections show several diffractions caused by trees, differential degrees of moisture, and underground artifacts, the structures recorded here can not be explained by any of these ''noises''. The detailed analysis of the GPR sections reveals that they are attributed to bed distortion caused by brittle deformation and folding. The record of faults and folds are not widespread in the Neogene deposits of the Bragantina area. These GPR data are in agreement with structural models, which have proposed a complex evolution including strike-slip motion for this area from the Miocene to present.A caracterização geológica de depósitos neógenos ocorrentes em sub-superfície rasa no nordeste do Estado do Pará, usando Radar de Penetração no Solo (GPR, revelou a presença de falhas normais e reversas, bem como dobras, ainda não documentadas em estudos de campo prévios. As falhas são identificadas por reflexões inclinadas que cortam bruscamente reflexões vizinhas, causando freqüentes deslocamentos de camadas. As dobras são reconhecidas por reflexões fortemente ondulantes, configurando feições côncavas e convexas que medem até 50 m de amplitude e 80 a 90 m de profundidade. Estas estruturas deformacionais desenvolvem-se, principalmente

  16. Zero-momentum coupling induced transitions of ground states in Rashba spin-orbit coupled Bose-Einstein condensates

    Science.gov (United States)

    Jin, Jingjing; Zhang, Suying; Han, Wei

    2014-06-01

    We investigate the transitions of ground states induced by zero momentum (ZM) coupling in pseudospin-1/2 Rashba spin-orbit coupled Bose-Einstein condensates confined in a harmonic trap. In a weak harmonic trap, the condensate presents a plane wave (PW) state, a stripe state or a spin polarized ZM state, and the particle distribution of the stripe state is weighted equally at two points in the momentum space without ZM coupling. The presence of ZM coupling induces an imbalanced particle distribution in the momentum space, and leads to the decrease of the amplitude of the stripe state. When its strength exceeds a critical value, the system experiences the transition from stripe phase to PW phase. The boundary of these two phases is shifted and a new phase diagram spanned by the ZM coupling and the interatomic interactions is obtained. The presence of ZM coupling can also achieve the transition from ZM phase to PW phase. In a strong harmonic trap, the condensate exhibits a vortex lattice state without ZM coupling. For the positive effective Rabi frequency of ZM coupling, the condensate is driven from a vortex lattice state to a vortex-free lattice state and finally to a PW state with the increase of coupling strength. In addition, for the negative effective Rabi frequency, the condensate is driven from a vortex lattice state to a stripe state, and finally to a PW state. The stripe state found in the strong harmonic trap is different from that in previous works because of its nonzero superfluid velocity along the stripes. We also discuss the influences of the ZM coupling on the spin textures, and indicate that the spin textures are squeezed transversely by the ZM coupling.

  17. Connecticut State University System Initiative for Nanotechnology-Related Equipment, Faculty Development and Curriculum Development

    Energy Technology Data Exchange (ETDEWEB)

    Broadbridge, Christine C. [Southern Connecticut State University

    2013-03-28

    DOE grant used for partial fulfillment of necessary laboratory equipment for course enrichment and new graduate programs in nanotechnology at the four institutions of the Connecticut State University System (CSUS). Equipment in this initial phase included variable pressure scanning electron microscope with energy dispersive x-ray spectroscopy elemental analysis capability [at Southern Connecticut State University]; power x-ray diffractometer [at Central Connecticut State University]; a spectrophotometer and spectrofluorimeter [at Eastern Connecticut State University; and a Raman Spectrometer [at Western Connecticut State University]. DOE's funding was allocated for purchase and installation of this scientific equipment and instrumentation. Subsequently, DOE funding was allocated to fund the curriculum, faculty development and travel necessary to continue development and implementation of the System's Graduate Certificate in Nanotechnology (GCNT) program and the ConnSCU Nanotechnology Center (ConnSCU-NC) at Southern Connecticut State University. All of the established outcomes have been successfully achieved. The courses and structure of the GCNT program have been determined and the program will be completely implemented in the fall of 2013. The instrumentation has been purchased, installed and has been utilized at each campus for the implementation of the nanotechnology courses, CSUS GCNT and the ConnSCU-NC. Additional outcomes for this grant include curriculum development for non-majors as well as faculty and student research.

  18. Hazardous materials on golf courses: experience and knowledge of golf course superintendents and grounds maintenance workers from seven states.

    Science.gov (United States)

    Arcury-Quandt, Alice E; Gentry, Amanda L; Marín, Antonio J

    2011-06-01

    The golf course industry has a growing Latino work force. Little occupational health research has addressed this work force. This article examines golf course superintendents' and Latino grounds maintenance workers' pesticide knowledge, beliefs, and safety training. In particular, it focuses on knowledge of and adherence to OSHA Right-to-Know regulations. In person, in-depth interviews were conducted with 10 golf course superintendents in five states and with 16 Latino grounds maintenance workers in four states. Few superintendents were in compliance with Right-to-Know regulations or did pesticide safety training with all of their workers. Few workers had any pesticide safety knowledge. Most safety training on golf courses was rudimentary and focused on machine safety, and was usually conducted in the off-season or on rainy days, not before workers were assigned tasks. More Right-to-Know training is necessary for superintendents and grounds maintenance workers. Culturally and linguistically appropriate Spanish language materials need to be developed or made more widely available to train workers. Better enforcement of safety and training regulations is necessary. Copyright © 2011 Wiley-Liss, Inc.

  19. The Impacts of State Health Reform Initiatives on Adults in New York and Massachusetts

    Science.gov (United States)

    Long, Sharon K; Stockley, Karen

    2011-01-01

    Objective To analyze the effects of health reform efforts in two large states—New York and Massachusetts. Data Sources/Study Setting National Health Interview Survey (NHIS) data from 1999 to 2008. Study Design We take advantage of the “natural experiments” that occurred in New York and Massachusetts to compare health insurance coverage and health care access and use for adults before and after the implementation of the health policy changes. To control for underlying trends not related to the reform initiatives, we subtract changes in the outcomes over the same time period for comparison groups of adults who were not affected by the policy changes using a differences-in-differences framework. The analyses are conducted using multiple comparison groups and different time periods as a check on the robustness of the findings. Data Collection/Extraction Methods Nonelderly adults ages 19–64 in the NHIS. Principal Findings We find evidence of the success of the initiatives in New York and Massachusetts at expanding insurance coverage, with the greatest gains reported by the initiative that was broadest in scope—the Massachusetts push toward universal coverage. There is no evidence of improvements in access to care in New York, reflecting the small gains in coverage under that state's reform effort and the narrow focus of the initiative. In contrast, there were significant gains in access to care in Massachusetts, where the impact on insurance coverage was greater and a more comprehensive set of reforms were implemented to improve access to a full array of health care services. The estimated gains in coverage and access to care reported here for Massachusetts were achieved in the early period under health reform, before the state's reform initiative was fully implemented. Conclusions Comprehensive reform initiatives are more successful at addressing gaps in coverage and access to care than are narrower efforts, highlighting the potential gains under national

  20. High resolution infrared synchrotron study of CH2D81Br: ground state constants and analysis of the ν5, ν6 and ν9 fundamentals

    DEFF Research Database (Denmark)

    Baldacci, A.; Stoppa, P.; Visinoni, R.

    2012-01-01

    .710 cm-1) and ν9 (930.295 cm-1) fundamental bands. The ground state constants up to sextic centrifugal distortion terms have been obtained for the first time by ground-state combination differences from the three bands and subsequently employed for the evaluation of the excited state parameters. Watson...... and a high-order coupling constant which takes into account the interaction between ν5 and ν9 have been determined....