Branner-Hubbard Motions and attracting dynamics

DEFF Research Database (Denmark)

Petersen, Carsten Lunde; Tan, Lei

2006-01-01

We introduce a new notion of attracting dynamics, which is related to polynomial-like mappings. Also we review the Branner-Hubbard Motion and study its action on attracting dynamics.......We introduce a new notion of attracting dynamics, which is related to polynomial-like mappings. Also we review the Branner-Hubbard Motion and study its action on attracting dynamics....

Branner-Hubbard motions and attracting dynamics

DEFF Research Database (Denmark)

Petersen, Carsten Lunde; Tan, Lei

We introduce the new notion an aatracting dynamics, which is related to polynomial-likke mappings. Also we review the Branner-Hubbard motion and study its action on attracting dynamics.......We introduce the new notion an aatracting dynamics, which is related to polynomial-likke mappings. Also we review the Branner-Hubbard motion and study its action on attracting dynamics....

Hubbard physics in the symmetric half-filled periodic anderson-hubbard model

Science.gov (United States)

Hagymási, I.; Itai, K.; Sólyom, J.

2013-05-01

Two very different methods — exact diagonalization on finite chains and a variational method — are used to study the possibility of a metal-insulator transition in the symmetric half-filled periodic Anderson-Hubbard model. With this aim we calculate the density of doubly occupied d sites ( gn d ) as a function of various parameters. In the absence of on-site Coulomb interaction ( U f ) between f electrons, the two methods yield similar results. The double occupancy of d levels remains always finite just as in the one-dimensional Hubbard model. Exact diagonalization on finite chains gives the same result for finite U f , while the Gutzwiller method leads to a Brinkman-Rice transition at a critical value ( U {/d c }), which depends on U f and V.

Generalized Hubbard Hamiltonian: renormalization group approach

International Nuclear Information System (INIS)

Cannas, S.A.; Tamarit, F.A.; Tsallis, C.

1991-01-01

We study a generalized Hubbard Hamiltonian which is closed within the framework of a Quantum Real Space Renormalization Group, which replaces the d-dimensional hypercubic lattice by a diamond-like lattice. The phase diagram of the generalized Hubbard Hamiltonian is analyzed for the half-filled band case in d = 2 and d = 3. Some evidence for superconductivity is presented. (author). 44 refs., 12 figs., 2 tabs

Low Temperature Catalyst for NH3 Removal

Science.gov (United States)

Monje, Oscar; Melendez, Orlando

2013-01-01

Air revitalization technologies maintain a safe atmosphere inside spacecraft by the removal of C02, ammonia (NH3), and trace contaminants. NH3 onboard the International Space Station (ISS) is produced by crew metabolism, payloads, or during an accidental release of thermal control refrigerant. Currently, the ISS relies on removing NH3 via humidity condensate and the crew wears hooded respirators during emergencies. A different approach to cabin NH3 removal is to use selective catalytic oxidation (SCO), which builds on thermal catalytic oxidation concepts that could be incorporated into the existing TCCS process equipment architecture on ISS. A low temperature platinum-based catalyst (LTP-Catalyst) developed at KSC was used for converting NH3 to H20 and N2 gas by SCO. The challenge of implementing SCO is to reduce formation of undesirable byproducts like NOx (N20 and NO). Gas mixture analysis was conducted using FTIR spectrometry in the Regenerable VOC Control System (RVCS) Testbed. The RVCS was modified by adding a 66 L semi-sealed chamber, and a custom NH3 generator. The effect of temperature on NH3 removal using the LTP-Catalyst was examined. A suitable temperature was found where NH3 removal did not produce toxic NO, (NO, N02) and N20 formation was reduced.

L Ron Hubbard's science fiction quest against psychiatry.

Science.gov (United States)

Hirshbein, Laura

2016-12-01

Layfayette Ronald Hubbard (1911-1986) was a colourful and prolific American writer of science fiction in the 1930s and 1940s. During the time between his two decades of productivity and his return to science fiction in 1980, Hubbard founded the Church of Scientology. In addition to its controversial status as a religion and its troubling pattern of intimidation and litigation directed towards its foes, Scientology is well known as an organised opponent to psychiatry. This paper looks at Hubbard's science fiction work to help understand the evolution of Scientology's antipsychiatry stance, as well as the alternative to psychiatry offered by Hubbard. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

Harriet Brooks-Pioneer nuclear scientist

Science.gov (United States)

Rayner-Canham, M. F.; Rayner-Canham, G. W.

1989-10-01

This article, using revealing statements from contemporary correspondence, traces the eventful life of Harriet Brooks, one of Ernest Rutherford's most valued research students and collaborators at McGill University. Brooks performed some of the crucial experiments in the early work on radioactivity; her work led her to the Cavendish where she did work with J. J. Thomson. Still later, she worked with Marie Curie, to whom Rutherford favorably compared her. Despite Brooks' achievements and promise, she finally relinquished her research career when faced with insurmountable objections to women who wished to have both a professional and a married life.

Disordered spinor Bose-Hubbard model

International Nuclear Information System (INIS)

LaPcki, Mateusz; Paganelli, Simone; Ahufinger, Veronica; Sanpera, Anna; Zakrzewski, Jakub

2011-01-01

We study the zero-temperature phase diagram of the disordered spin-1 Bose-Hubbard model in a two-dimensional square lattice. To this aim, we use a mean-field Gutzwiller ansatz and a probabilistic mean-field perturbation theory. The spin interaction induces two different regimes, corresponding to a ferromagnetic and antiferromagnetic order. In the ferromagnetic case, the introduction of disorder reproduces analogous features of the disordered scalar Bose-Hubbard model, consisting in the formation of a Bose glass phase between Mott insulator lobes. In the antiferromagnetic regime, the phase diagram differs more from the scalar case. Disorder in the chemical potential can lead to the disappearance of Mott insulator lobes with an odd-integer filling factor and, for sufficiently strong spin coupling, to Bose glass of singlets between even-filling Mott insulator lobes. Disorder in the spinor coupling parameter results in the appearance of a Bose glass phase only between the n and the n+1 lobes for n odd. Disorder in the scalar Hubbard interaction inhibits Mott insulator regions for occupation larger than a critical value.

Production and evaluation of YY-male Brook Trout to eradicate nonnative wild brook trout populations

Science.gov (United States)

Kennedy, Patrick; Schill, Daniel J.; Meyer, Kevin A.; Campbell, Matthew R.; Vu, Ninh V.; Hansen, Michael J.

2017-01-01

Nonnative Brook Trout Salvelinus fontinalis were introduced throughout western North America in the early 1900s, resulting in widespread self-sustaining populations that are difficult to eradicate and often threaten native salmonid populations. A novel approach for their eradication involves use of YY male (MYY) Brook Trout (created in the hatchery by feminizing XY males and crossing them with normal XY males). If MYY Brook Trout survive after stocking, and reproduce successfully with wild females, in theory this could eventually drive the sex ratio of the wild population to 100% males, at which point the population would not be able to reproduce and would be eradicated. This study represents the first successful development of a FYY and MYY salmonid broodstock, which was produced in four years at relatively low cost. Field trials demonstrated that stocked hatchery MYY Brook Trout survived and produced viable MYY offspring in streams, although reproductive fitness appeared to have been lower than their wild conspecifics. Even if reduced fitness is the norm in both streams and alpine lakes, our population simulations suggest that eradication can be achieved in reasonable time periods under some MYY stocking scenarios, especially when wild Brook Trout are simultaneously suppressed in the population.

Extended Hubbard models for ultracold atoms in optical lattices

International Nuclear Information System (INIS)

Juergensen, Ole

2015-01-01

In this thesis, the phase diagrams and dynamics of various extended Hubbard models for ultracold atoms in optical lattices are studied. Hubbard models are the primary description for many interacting particles in periodic potentials with the paramount example of the electrons in solids. The very same models describe the behavior of ultracold quantum gases trapped in the periodic potentials generated by interfering beams of laser light. These optical lattices provide an unprecedented access to the fundamentals of the many-particle physics that govern the properties of solid-state materials. They can be used to simulate solid-state systems and validate the approximations and simplifications made in theoretical models. This thesis revisits the numerous approximations underlying the standard Hubbard models with special regard to optical lattice experiments. The incorporation of the interaction between particles on adjacent lattice sites leads to extended Hubbard models. Offsite interactions have a strong influence on the phase boundaries and can give rise to novel correlated quantum phases. The extended models are studied with the numerical methods of exact diagonalization and time evolution, a cluster Gutzwiller approximation, as well as with the strong-coupling expansion approach. In total, this thesis demonstrates the high relevance of beyond-Hubbard processes for ultracold atoms in optical lattices. Extended Hubbard models can be employed to tackle unexplained problems of solid-state physics as well as enter previously inaccessible regimes.

Extended Hubbard models for ultracold atoms in optical lattices

Energy Technology Data Exchange (ETDEWEB)

Juergensen, Ole

2015-06-05

In this thesis, the phase diagrams and dynamics of various extended Hubbard models for ultracold atoms in optical lattices are studied. Hubbard models are the primary description for many interacting particles in periodic potentials with the paramount example of the electrons in solids. The very same models describe the behavior of ultracold quantum gases trapped in the periodic potentials generated by interfering beams of laser light. These optical lattices provide an unprecedented access to the fundamentals of the many-particle physics that govern the properties of solid-state materials. They can be used to simulate solid-state systems and validate the approximations and simplifications made in theoretical models. This thesis revisits the numerous approximations underlying the standard Hubbard models with special regard to optical lattice experiments. The incorporation of the interaction between particles on adjacent lattice sites leads to extended Hubbard models. Offsite interactions have a strong influence on the phase boundaries and can give rise to novel correlated quantum phases. The extended models are studied with the numerical methods of exact diagonalization and time evolution, a cluster Gutzwiller approximation, as well as with the strong-coupling expansion approach. In total, this thesis demonstrates the high relevance of beyond-Hubbard processes for ultracold atoms in optical lattices. Extended Hubbard models can be employed to tackle unexplained problems of solid-state physics as well as enter previously inaccessible regimes.

Single-particle spectral density of the Hubbard model

NARCIS (Netherlands)

Mehlig, B.; Eskes, H.; Hayn, R.; Meinders, M.B.J.

1995-01-01

We calculate the single-particle spectral function for the Hubbard model within the framework of a projection technique equivalent to the two-pole approximation. We show that the two-pole approximation can be well understood as an average characterization of the upper and the lower Hubbard bands,

SINGLE-PARTICLE SPECTRAL DENSITY OF THE HUBBARD-MODEL

NARCIS (Netherlands)

MEHLIG, B; ESKES, H; HAYN, R; MEINDERS, MBJ

1995-01-01

We calculate the single-particle spectral function for the Hubbard model within the framework of a projection technique equivalent to the two-pole approximation. We show that the two-pole approximation can be well understood as an average characterization of the upper and the lower Hubbard bands,

Enhanced pairing susceptibility in a photodoped two-orbital Hubbard model

Science.gov (United States)

Werner, Philipp; Strand, Hugo U. R.; Hoshino, Shintaro; Murakami, Yuta; Eckstein, Martin

2018-04-01

Local spin fluctuations provide the glue for orbital-singlet spin-triplet pairing in the doped Mott insulating regime of multiorbital Hubbard models. At large Hubbard repulsion U , the pairing susceptibility is nevertheless tiny because the pairing interaction cannot overcome the suppression of charge fluctuations. Using nonequilibrium dynamical mean field simulations of the two-orbital Hubbard model, we show that out of equilibrium the pairing susceptibility in this large-U regime can be strongly enhanced by creating a photoinduced population of the relevant charge states. This enhancement is supported by the long lifetime of photodoped charge carriers and a built-in cooling mechanism in multiorbital Hubbard systems.

Orthorhombic fulleride (CH3NH2)K3C60 close to Mott-Hubbard instability: Ab initio study

Science.gov (United States)

Potočnik, Anton; Manini, Nicola; Komelj, Matej; Tosatti, Erio; Arčon, Denis

2012-08-01

We study the electronic structure and magnetic interactions in methylamine-intercalated orthorhombic alkali-doped fullerene (CH3NH2)K3C60 within the density functional theory. As in the simpler ammonia intercalated compound (NH3)K3C60, the orthorhombic crystal-field anisotropy Δ lifts the t1u triple degeneracy at the Γ point and drives the system deep into the Mott-insulating phase. However, the computed Δ and conduction electron bandwidth W cannot alone account for the abnormally low experimental Néel temperature, TN=11 K, of the methylamine compound, compared to the much higher value TN=40 K of the ammonia one. Significant interactions between CH3NH2 and C603- are responsible for the stabilization of particular fullerene-cage distortions and the ensuing low-spin S=1/2 state. These interactions also seem to affect the magnetic properties, as interfullerene exchange interactions depend on the relative orientation of deformations of neighboring C603- molecules. For the ferro-orientational order of CH3NH2-K+ groups we find an apparent reduced dimensionality in magnetic exchange interactions, which may explain the suppressed Néel temperature. The disorder in exchange interactions caused by orientational disorder of CH3NH2-K+ groups could further contribute to this suppression.

Luttinger and Hubbard sum rules: are they compatible?

International Nuclear Information System (INIS)

Matho, K.

1992-01-01

A so-called Hubbard sum rule determines the weight of a satellite in fermionic single-particle excitations with strong local repulsion (U→∞). Together with the Luttinger sum rule, this imposes two different energy scales on the remaining finite excitations. In the Hubbard chain, this has been identified microscopically as being due to a separation of spin and charge. (orig.)

Spin-spin correlations in the tt'-Hubbard model

International Nuclear Information System (INIS)

Husslein, T.; Newns, D.M.; Mattutis, H.G.; Pattnaik, P.C.; Morgenstern, I.; Singer, J.M.; Fettes, W.; Baur, C.

1994-01-01

We present calculations of the tt'-Hubbard model using Quantum Monte Carlo techniques. The parameters are chosen so that the van Hove Singularity in the density of states and the Fermi level coincide. We study the behaviour of the system with increasing Hubbard interaction U. Special emphasis is on the spin-spin correlation (SSC). Unusual behaviour for large U is observed there and in the momentum distribution function (n(q)). (orig.)

Hubbard-U band-structure methods

DEFF Research Database (Denmark)

Albers, R.C.; Christensen, Niels Egede; Svane, Axel

2009-01-01

The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local-density approximation band-structure Hamiltonian. The Hubbard term is then determined either at the mean-field level or with sophisticated many......-body techniques such as using dynamical mean-field theory. We review the physics underlying these approaches and discuss their strengths and weaknesses in terms of the larger issues of electronic structure that they involve. In particular, we argue that the common assumptions made to justify such calculations...

Mass-imbalanced ionic Hubbard chain

Science.gov (United States)

Sekania, Michael; Baeriswyl, Dionys; Jibuti, Luka; Japaridze, George I.

2017-07-01

A repulsive Hubbard model with both spin-asymmetric hopping (t↑≠t↓ ) and a staggered potential (of strength Δ ) is studied in one dimension. The model is a compound of the mass-imbalanced (t↑≠t↓ ,Δ =0 ) and ionic (t↑=t↓ ,Δ >0 ) Hubbard models, and may be realized by cold atoms in engineered optical lattices. We use mostly mean-field theory to determine the phases and phase transitions in the ground state for a half-filled band (one particle per site). We find that a period-two modulation of the particle (or charge) density and an alternating spin density coexist for arbitrary Hubbard interaction strength, U ≥0 . The amplitude of the charge modulation is largest at U =0 , decreases with increasing U and tends to zero for U →∞ . The amplitude for spin alternation increases with U and tends to saturation for U →∞ . Charge order dominates below a value Uc, whereas magnetic order dominates above. The mean-field Hamiltonian has two gap parameters, Δ↑ and Δ↓, which have to be determined self-consistently. For U Uc they have different signs, and for U =Uc one gap parameter jumps from a positive to a negative value. The weakly first-order phase transition at Uc can be interpreted in terms of an avoided criticality (or metallicity). The system is reluctant to restore a symmetry that has been broken explicitly.

THE BEAR BROOK WATERSHED MANIPULATION PROJECT: WATERSHED SCIENCE IN A POLICY PERSPECTIVE

Science.gov (United States)

The Bear Brook Watershed Manipulation in Maine is a paired watershed experiment. Monitoring of the paired catchments (East Bear Brook - reference; West Bear Brook - experimental) began in early 1987. Chemical manipulation of West Bear Brook catchment began in November 1989. Proce...

Experimental study of the aqueous CO2-NH3 rate of reaction for temperatures from 15 °C to 35 °C, NH3 concentrations from 5% to 15% and CO2 loadings from 0.2 to 0.6

DEFF Research Database (Denmark)

Lillia, Stefano; Bonalumi, Davide; Fosbøl, Philip L.

2018-01-01

, and lastly CO2 loadings from 0.2 to 0.6. The resulting overall mass transfer coefficient of absorption measured follows the trends described by the modelling of the reactor and the equations used to describe the rate of the absorption reactions. Moreover, the overall mass transfer coefficient of absorption...... loading conditions. The kinetic model intercept the values found in literature in every range of concentration. Consequently, the model is valid in every conditions and the rate of the reaction between NH3 and CO2 in liquid phase is described with an Arrhenius constant with a pre-exponential factor of 1......The absorption reaction between aqueous NH3 and CO2 was studied using the Wetted Wall Column. A total of 27 different cases are investigated in the region defined by temperatures from 15 °C to 35 °C, NH3 concentrations from 5% to 15%, which are the typical solvent conditions in absorption columns...

Alternating chain with Hubbard-type interactions: renormalization group analysis

International Nuclear Information System (INIS)

Buzatu, F. D.; Jackeli, G.

1998-01-01

A large amount of work has been devoted to the study of alternating chains for a better understanding of the high-T c superconductivity mechanism. The same phenomenon renewed the interest in the Hubbard model and in its one-dimensional extensions. In this work we investigate, using the Renormalization Group (RG) method, the effect of the Hubbard-type interactions on the ground-state properties of a chain with alternating on-site atomic energies. The one-particle Hamiltonian in the tight binding approximation corresponding to an alternating chain with two nonequivalent sites per unit cell can be diagonalized by a canonical transformation; one gets a two band model. The Hubbard-type interactions give rise to both intra- and inter-band couplings; however, if the gap between the two bands is sufficiently large and the system is more than half-filled, as for the CuO 3 chain occurring in high-T c superconductors, the last ones can be neglected in describing the low energy physics. We restrict our considerations to the Hubbard-type interactions (upper band) in the particular case of alternating on-site energies and equal hopping amplitudes. The standard RG analysis (second order) is done in terms of the g-constants describing the elementary processes of forward, backward and Umklapp scatterings: their expressions are obtained by evaluating the Hubbard-type interactions (upper band) at the Fermi points. Using the scaling to the exact soluble models Tomonaga-Luttinger and Luther-Emery, we can predict the low energy physics of our system. The ground-state phase diagrams in terms of the model parameters and at arbitrary band filling are determined, where four types of instabilities have been considered: Charge Density Waves (CDW), Spin Density Waves (SDW), Singlet Superconductivity (SS) and Triplet Superconductivity (TS). The 3/4-filled case in terms of some renormalized Hubbard constants is presented. The relevance of our analysis to the case of the undistorted 3/4-filled Cu

Improved GaSb surfaces using a (NH4)2S/(NH4)2S04 solution

International Nuclear Information System (INIS)

Murape, D.M.; Eassa, N.; Nyamhere, C.; Neethling, J.H.; Betz, R.; Coetsee, E.; Swart, H.C.; Botha, J.R.; Venter, A.

2012-01-01

Bulk (1 0 0) n-GaSb surfaces have been treated with a sulphur based solution ((NH 4 ) 2 S/(NH 4 ) 2 SO 4 ) to which sulphur has been added, not previously reported for the passivation of GaSb surfaces. Au/n-GaSb Schottky barrier diodes (SBDs) fabricated on the treated material show significant improvement compared to that of the similar SBDs on the as-received material as evidenced by the lower ideality factor (n), higher barrier height (φ b ) and lower contact resistance obtained. Additionally, the reverse leakage current, although not saturating, has been reduced by almost an order of magnitude at −0.2 V. The sample surfaces were studied by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The native oxide, Sb–O, present on the as-received material is effectively removed on treating with ([(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ]+S) and (NH 4 ) 2 S. Analysis of the as-received surface by XPS, prior to and after argon sputtering, suggests that the native oxide layer is ≤8.5 nm.

First detection of cyanamide (NH2CN) towards solar-type protostars

Science.gov (United States)

Coutens, A.; Willis, E. R.; Garrod, R. T.; Müller, H. S. P.; Bourke, T. L.; Calcutt, H.; Drozdovskaya, M. N.; Jørgensen, J. K.; Ligterink, N. F. W.; Persson, M. V.; Stéphan, G.; van der Wiel, M. H. D.; van Dishoeck, E. F.; Wampfler, S. F.

2018-05-01

Searches for the prebiotically relevant cyanamide (NH2CN) towards solar-type protostars have not been reported in the literature. We present here the first detection of this species in the warm gas surrounding two solar-type protostars, using data from the Atacama Large Millimeter/Submillimeter Array Protostellar Interferometric Line Survey (PILS) of IRAS 16293-2422 B and observations from the IRAM Plateau de Bure Interferometer of NGC 1333 IRAS2A. We also detected the deuterated and 13C isotopologs of NH2CN towards IRAS 16293-2422 B. This is the first detection of NHDCN in the interstellar medium. Based on a local thermodynamic equilibrium analysis, we find that the deuteration of cyanamide ( 1.7%) is similar to that of formamide (NH2CHO), which may suggest that these two molecules share NH2 as a common precursor. The NH2CN/NH2CHO abundance ratio is about 0.2 for IRAS 16293-2422 B and 0.02 for IRAS2A, which is comparable to the range of values found for Sgr B2. We explored the possible formation of NH2CN on grains through the NH2 + CN reaction using the chemical model MAGICKAL. Grain-surface chemistry appears capable of reproducing the gas-phase abundance of NH2CN with the correct choice of physical parameters.

Phase transitions in the Hubbard Hamiltonian

International Nuclear Information System (INIS)

Chaves, C.M.; Lederer, P.; Gomes, A.A.

1977-05-01

Phase transition in the isotropic non-degenerate Hubbard Hamiltonian within the renormalization group techniques is studied, using the epsilon = 4 - d expansion to first order in epsilon. The functional obtained from the Hubbard Hamiltonian displays full rotation symmetry and describes two coupled fields: a vector spin field, with n components and a non-soft scalar charge field. This coupling is pure imaginary, which has interesting consequences on the critical properties of this coupled field system. The effect of simple constraints imposed on the charge field is considered. The relevance of the coupling between the fields in producing Fisher renormalization of the critical exponents is discussed. The possible singularities introduced in the charge-charge correlation function by the coupling are also discussed

Collective Kondo effect in the Anderson-Hubbard lattice

Science.gov (United States)

Fazekas, P.; Itai, K.

1997-02-01

The periodic Anderson model is extended by switching on a Hubbard U for the conduction electrons. We use the Gutzwiller variational method to study the nearly integral valent limit. The lattice Kondo energy contains the U-dependent chemical potential of the Hubbard subsystem in the exponent, and the correlation-induced band narrowing in the prefactor. Both effects tend to suppress the Kondo scale, which can be understood to result from the blocking of hybridization. At half-filling, we find a Brinkman-Rice-type transition from a Kondo insulator to a Mott insulator.

An introduction to the Hubbard model

International Nuclear Information System (INIS)

Ercolessi, E.; Morandi, G.; Pieri, P.

1997-01-01

In these notes we review some of the basic features of the 2D Hubbard model, thought of as the appropriate model for the description of the Cu - O planes in the cuprate superconductors. We discuss breifly the weak-coupling regime of the model and, in the opposite limit, the mapping of the one band Hubbard model onto an AFM Heisenberg model at half filling and onto the t - J model below half filling. We discuss next Emery's three band model and its mapping onto the so-called ''spin-fermion'' model. Its continuum limit is discussed by making use of an adiabatic followed by a gradient expansion. We review briefly how the model maps onto a nonlinear sigma model and some of the features of the latter. (orig.)

Mott transition in the Hubbard model

International Nuclear Information System (INIS)

Shastry, B.S.

1992-01-01

In this article, the author discuss W. Kohn's criterion for a metal insulator transition, within the framework of a one-band Hubbard model. This and related ideas are applied to 1-dimensional Hubbard systems, and some interesting miscellaneous results discussed. The Jordan-Wigner transformation converting the two species of fermions to two species of hardcore bosons is performed in detail, and the extra phases arising from odd-even effects are explicitly derived. Bosons are shown to prefer zero flux (i.e., diamagnetism) and the corresponding happy fluxes: for the fermions identified. A curios result following from the interplay between orbital diamagnetism and spin polarization is highlighted. A spin-statistics like theorem, showing that the anticommutation relations between fermions of opposite spin are crucial to obtain the SU(2) invariance is pointed out

Flood inundation maps and water-surface profiles for tropical storm Irene and selected annual exceedance probability floods for Flint Brook and the Third Branch White River in Roxbury, Vermont

Science.gov (United States)

Ahearn, Elizabeth A.; Lombard, Pamela J.

2014-01-01

Flint Brook, a tributary to the Third Branch White River in Roxbury, Vermont, has a history of flooding the Vermont Fish and Wildlife Department’s Roxbury Fish Culture Station (the hatchery) and surrounding infrastructure. Flooding resulting from tropical storm Irene on August 28–29, 2011, caused widespread destruction in the region, including extensive and costly damages to the State-owned hatchery and the transportation infrastructure in the Town of Roxbury, Vermont. Sections of State Route 12A were washed out, and several bridges and culverts on Oxbow Road, Thurston Hill Road, and the New England Central Railroad in Roxbury were heavily damaged. Record high peak-discharge estimates of 2,140 cubic feet per second (ft3/s) and 4,320 ft3/s were calculated for Flint Brook at its confluence with the Third Branch White River and for the Third Branch White River at about 350 feet (ft) downstream from the hatchery, respectively. The annual exceedance probabilities (AEPs) of the peak discharges for Flint Brook and the Third Branch White River were less than 0.2 percent (less than a one in 500 chance of occurring in a given year). Hydrologic and hydraulic analyses of Flint Brook and the Third Branch White River were done to investigate flooding at the hatchery in Roxbury and support efforts by the Federal Emergency Management Agency to assist State and local mitigation and reconstruction efforts. During the August 2011 flood, the majority of flow from Flint Brook (97 percent or 2,070 ft3/s) diverged from its primary watercourse due to a retaining wall failure immediately upstream of Oxbow Road and inundated the hatchery. Although a minor amount of flow from the Third Branch White River could have overtopped State Route 12A and spilled into the hatchery, the Third Branch White River did not cause flood damages or exacerbate flooding at the hatchery during the August 2011 flood. The Third Branch White River which flows adjacent to the hatchery does not flood the hatchery

The classical trigonometric r-matrix for the quantum-deformed Hubbard chain

Energy Technology Data Exchange (ETDEWEB)

Beisert, Niklas, E-mail: nbeisert@aei.mpg.de [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, 14476 Potsdam (Germany)

2011-07-01

The one-dimensional Hubbard model is an exceptional integrable spin chain which is apparently based on a deformation of the Yangian for the superalgebra gl(2|2). Here we investigate the quantum deformation of the Hubbard model in the classical limit. This leads to a novel classical r-matrix of trigonometric kind. We derive the corresponding one-parameter family of Lie bialgebras as a deformation of the affine gl(2|2) Kac-Moody superalgebra. In particular, we discuss the affine extension as well as discrete symmetries, and we scan for simpler limiting cases, such as the rational r-matrix for the undeformed Hubbard model.

Hydraulic modeling of stream channels and structures in Harbor and Crow Hollow Brooks, Meriden, Connecticut

Science.gov (United States)

Weiss, Lawrence A.; Sears, Michael P.; Cervione, Michael A.

1994-01-01

Effects of urbanization have increased the frequency and size of floods along certain reaches of Harbor Brook and Crow Hollow Brook in Meriden, Conn. A floodprofile-modeling study was conducted to model the effects of selected channel and structural modifications on flood elevations and inundated areas. The study covered the reach of Harbor Brook downstream from Interstate 691 and the reach of Crow Hollow Brook downstream from Johnson Avenue. Proposed modifications, which include changes to bank heights, channel geometry, structural geometry, and streambed armoring on Harbor Brook and changes to bank heights on Crow Hollow Brook, significantly lower flood elevations. Results of the modeling indicate a significant reduction of flood elevations for the 10-year, 25-year, 35-year, 50-year, and 100-year flood frequencies using proposed modifications to (1 ) bank heights between Harbor Brook Towers and Interstate 691 on Harbor Brook, and between Centennial Avenue and Johnson Avenue on Crow Hollow Brook; (2) channel geometry between Coe Avenue and Interstate 69 1 on Harbor Brook; (3) bridge and culvert opening geometry between Harbor Brook Towers and Interstate 691 on Harbor Brook; and (4) channel streambed armoring between Harbor Brook Towers and Interstate 691 on Harbor Brook. The proposed modifications were developed without consideration of cost-benefit ratios.

??????????? ????????? ???????????? ???????????? NH4X (?=??,?1) ??? ??????????? CdxHgi-xTe ??????? ???????? ???????????? ???????

OpenAIRE

??????, ?. ?.; ?????????, ?. ?.; ???????, ?. ?.; ?????????, ?. ?.; ?????????, ?. ?.

2004-01-01

?? ?????? ??????????? ?????????? ???????????? ?????? ??????? ???? ??????? CdxHgi_xTe-Hg-NH4Br ??? ??????? ?????? Hg ? ????????? ?????????? 560-860? ? ??????????? ?????? ?? = 103-=-105 ?? ????????? ????????, ??? ??????? ???????? ????? ? ??????????????? ??????, ????? ? ?????? - CdBr2, Hg, ??2. ??? ????????? ??????? ??????? ???????????? CdxHgi_xTe ??????? ? = 0.2; 0.3; 0.4 ?? ????????? ??? ??? ? ??? ?????????? ??????? ???????? ??????? (??? ?????? ?????? ????? ? ???????) ????????? ??????????? ???...

Optical conductivity of the Hubbard model

International Nuclear Information System (INIS)

Vicente Alvarez, J.J.; Balseiro, C.A.; Ceccatto, H.A.

1996-07-01

We study the response to a static electric field (charge stiffness) and the frequency-dependent conductivity of the Hubbard model in a resonant-valence-bond-type paramagnetic phase. This phase is described by means of a charge and spin rotational-invariant approach, based on a mixed fermion-boson representation of the original strongly correlated electrons. We found that the Mott transition at half filling is well described by the charge stiffness behaviour, and that the values for this quantity off half filling agree reasonably well with numerical results. Furthermore, for the frequency-dependent conductivity we trace back the origin of the band which appears inside the Hubbard gap to magnetic pair breaking. This points to a magnetic origin of midinfrared band in high-T c compounds, with no relation to superconductivity. (author). 12 refs, 2 tabs

Quantum Simulation of the Hubbard Model Using Ultra-Cold Atoms

Science.gov (United States)

2008-11-01

Hubbard model. The SU(3) Hubbard model has been proposed as a model system for studying different phases of matter expected to occur in quantum...chromodynamics (QCD): the color superconducting phase and the formation of baryons . Our initial investigations have focused on understanding three-body...density quark matter described by quantum chromodynamics . We have been investigating the stability of the 3-state Fermi gas with respect to decay due

Hydrogeochemical cycling and chemical denudation in the Fort River Watershed, central Massachusetts: An appraisal of mass-balance studies

Science.gov (United States)

Yuretich, Richard F.; Batchelder, Gail L.

1988-01-01

The Fort River watershed in central Massachusetts receives precipitation with a composition similar to that in Hubbard Brook (New Hampshire), yet the average stream water chemistry is substantially different, showing higher pH and TDS. This is largely a function of bedrock and surficial geology, and chemical differences among small streams within the Fort River watershed are apparently controlled by the composition and thickness of the prevailing surficial cover. The surficial deposits determine groundwater and surface water flow paths, thereby affecting the resultant contact time with mineral matter and the chemistry of the runoff. Despite the rural setting, over 95% of the annual sodium and chloride in the streams comes from road salt; after correcting for this factor, cation denudation rates are about equal to those at Hubbard Brook. However, silica removal is occurring at a rate more than 30% greater in the Fort River. When climatic conditions in Hubbard Brook and Fort River are normalized, weathering rates appear consistently higher in the Fort River, reflecting differences in weathering processes (i.e., cation exchange and silicate breakdown) and hydrogeology. Because of uncertainties in mechanisms of cation removal from watersheds, the silica denudation rate may be a better index of weathering intensity.

Aerospace medicine at Brooks AFB, TX: hail and farewell.

Science.gov (United States)

Nunneley, Sarah A; Webb, James T

2011-05-01

With the impending termination of USAF operations at Brooks Air Force Base (AFB) in San Antonio, TX, it is time to consider its historic role in Aerospace Medicine. The base was established in 1917 as a flight training center for the U.S. Army Air Service and in 1926 became home to its School of Aviation Medicine. The school moved to San Antonio's Randolph Field in 1931, but in 1959 it returned to Brooks where it occupied new facilities to support its role as a national center for U.S. Air Force aerospace medicine, including teaching, clinical medicine, and research. The mission was then expanded to encompass support of U.S. military and civilian space programs. With the abrupt termination of the military space program in 1969, research at Brooks focused on clinical aviation medicine and support of advanced military aircraft while continuing close cooperation with NASA in support of orbital spaceflight and the journey to the Moon. Reorganization in the 1990s assigned all research functions at Brooks to the Human Systems Division and its successors, leaving to USAFSAM the missions related to clinical work and teaching. In 2002 the USAF and the city of San Antonio implemented shared operation of Brooks as a "City-Base" in the hope of deflecting threatened closure. Nevertheless, under continuing pressure to consolidate military facilities in the United States, the 2005 Base Closure and Realignment Commission ordered Brooks closed by 2011, with its aerospace medicine functions relocated to new facilities at Wright-Patterson AFB in Dayton, OH.

Phase transition in the non-degenerate Hubbard Hamiltonian

International Nuclear Information System (INIS)

Chaves, C.M.; Lederer, P.; Gomes, A.A.

1976-01-01

Phase transition in the isotropic non-degenerate Hubbard Hamiltonian within the renormalization group techniques, using the epsilon = 4 - d expansion to first order in epsilon, is studied. The functional obtained from the Hubbard Hamiltonian displays full rotation symmetry and describes two coupled fields: a vector spin field, with n components and a non-soft scalar charge field. The possibility of tricritical behavior then emerges. The effects of simple constraints imposed on the charge field is considered. The relevance of the coupling between the fields in producing Fisher renormalization of the critical exponents is discussed. The possible singularities introduced in the charge-charge correlation function by the coupling are also discussed

Concentrations and content of mercury in bark, wood, and leaves in hardwoods and conifers in four forested sites in the northeastern USA

Science.gov (United States)

Yanai, Ruth D.; Driscoll, Charles T.; Montesdeoca, Mario; Smith, Kevin T.

2018-01-01

Mercury (Hg) is deposited from the atmosphere to remote areas such as forests, but the amount of Hg in trees is not well known. To determine the importance of Hg in trees, we analyzed foliage, bark and bole wood of eight tree species at four sites in the northeastern USA (Huntington Forest, NY; Sleepers River, VT; Hubbard Brook, NH; Bear Brook, ME). Foliar concentrations of Hg averaged 16.3 ng g-1 among the hardwood species, which was significantly lower than values in conifers, which averaged 28.6 ng g-1 (p < 0.001). Similarly, bark concentrations of Hg were lower (p < 0.001) in hardwoods (7.7 ng g-1) than conifers (22.5 ng g-1). For wood, concentrations of Hg were higher in yellow birch (2.1–2.8 ng g-1) and white pine (2.3 ng g-1) than in the other species, which averaged 1.4 ng g-1 (p < 0.0001). Sites differed significantly in Hg concentrations of foliage and bark (p = 0.02), which are directly exposed to the atmosphere, but the concentration of Hg in wood depended more on species (p < 0.001) than site (p = 0.60). The Hg contents of tree tissues in hardwood stands, estimated from modeled biomass and measured concentrations at each site, were higher in bark (mean of 0.10 g ha-1) and wood (0.16 g ha-1) than in foliage (0.06 g ha-1). In conifer stands, because foliar concentrations were higher, the foliar pool tended to be more important. Quantifying Hg in tree tissues is essential to understanding the pools and fluxes of Hg in forest ecosystems. PMID:29684081

Concentrations and content of mercury in bark, wood, and leaves in hardwoods and conifers in four forested sites in the northeastern USA.

Science.gov (United States)

Yang, Yang; Yanai, Ruth D; Driscoll, Charles T; Montesdeoca, Mario; Smith, Kevin T

2018-01-01

Mercury (Hg) is deposited from the atmosphere to remote areas such as forests, but the amount of Hg in trees is not well known. To determine the importance of Hg in trees, we analyzed foliage, bark and bole wood of eight tree species at four sites in the northeastern USA (Huntington Forest, NY; Sleepers River, VT; Hubbard Brook, NH; Bear Brook, ME). Foliar concentrations of Hg averaged 16.3 ng g-1 among the hardwood species, which was significantly lower than values in conifers, which averaged 28.6 ng g-1 (p < 0.001). Similarly, bark concentrations of Hg were lower (p < 0.001) in hardwoods (7.7 ng g-1) than conifers (22.5 ng g-1). For wood, concentrations of Hg were higher in yellow birch (2.1-2.8 ng g-1) and white pine (2.3 ng g-1) than in the other species, which averaged 1.4 ng g-1 (p < 0.0001). Sites differed significantly in Hg concentrations of foliage and bark (p = 0.02), which are directly exposed to the atmosphere, but the concentration of Hg in wood depended more on species (p < 0.001) than site (p = 0.60). The Hg contents of tree tissues in hardwood stands, estimated from modeled biomass and measured concentrations at each site, were higher in bark (mean of 0.10 g ha-1) and wood (0.16 g ha-1) than in foliage (0.06 g ha-1). In conifer stands, because foliar concentrations were higher, the foliar pool tended to be more important. Quantifying Hg in tree tissues is essential to understanding the pools and fluxes of Hg in forest ecosystems.

Reframing Romaine Brooks' heroic queer modernism.

Science.gov (United States)

Langer, Cassandra L

2010-01-01

Modernism was not a wholesale embracing of Greenberg's definition as abstracting, non-objective, and autonomous. The expatriate U.S. artist and lesbian Romaine Brooks politicized her portraits of females based on a queer combination of the Byronic erotic and Baudelaire's modern dandy. Her execution of her queer modernist aesthetics re-presents female heroes as part of a self-reflective dynamic of lesbian modernity that emphasizes the ambiguity of normative gender binaries and plays with style, personality, and impersonation as disrupting to bourgeoisie mores. My focus is on how Brooks shatters normative conventions of portraiture in her revolutionary critique of heteronormativity.

Katherine Brooke'ist / Tiina Lepiste

Index Scriptorium Estoniae

Lepiste, Tiina

2007-01-01

Ameerika teleseriaali "Vaprad ja ilusad" ("The Bold and the Beautiful") osatäitja Katherine Kelly Lang (Brooke). Artikli aluseks on Soap Opera Weekly ajakirjaniku Linda Susmani vestlus näitlejannaga

Effect of NaCl-Stress on Metabolism of NO3-, NH4+ and NO2- at Several Rice Varieties

Directory of Open Access Journals (Sweden)

M Zulman Harja Utama

2010-09-01

Full Text Available This study was conducted to evaluate the effect of NaCl-stress on metabolism of NO3-, NH4+ and NO2- at several rice varieties. The results showed that an addition of NaCl had lesser effect on NaCl-tolerant varieties as compared to NaCl-sensitive in term of reduction in NO3-, NH4+, and NO2- uptake. Rice adaptation ability to NaCl stress occurred through the mechanism of NO3-, NH4+, and N02- metabolism physiology. It was indicated by the difference concentration of NO3-, NH4+ and N02- between the tolerant (Cisadane, moderate (Batang Lembang, Rendah Kuning, and Batang Piaman and sensitive (IR 66 varieties. Concentration of NH4+ and N02- of tolerant rice (Cisadane at NaCl treatment were about 1.16 and 2.6 times higher than that at control, respectively, while concentration of NO3- was only 0.03 times lower than control. In contrast, concentration of NO3-, NH4+, and N02- of sensitive rice (IR 66, were about 0.09, 0.27, and 0.41 times lower than that in control respecting at NaCl treatment, respectively.

Mott metal-insulator transition in the doped Hubbard-Holstein model

Science.gov (United States)

Kurdestany, Jamshid Moradi; Satpathy, S.

2017-08-01

Motivated by the current interest in the understanding of the Mott insulators away from half-filling, observed in many perovskite oxides, we study the Mott metal-insulator transition in the doped Hubbard-Holstein model using the Hartree-Fock mean field theory. The Hubbard-Holstein model is the simplest model containing both the Coulomb and the electron-lattice interactions, which are important ingredients in the physics of the perovskite oxides. In contrast to the half-filled Hubbard model, which always results in a single phase (either metallic or insulating), our results show that away from half-filling, a mixed phase of metallic and insulating regions occurs. As the dopant concentration is increased, the metallic part progressively grows in volume, until it exceeds the percolation threshold, leading to percolative conduction. This happens above a critical dopant concentration δc, which, depending on the strength of the electron-lattice interaction, can be a significant fraction of unity. This means that the material could be insulating even for a substantial amount of doping, in contrast to the expectation that doped holes would destroy the insulating behavior of the half-filled Hubbard model. While effects of fluctuation beyond the mean field remain an open question, our results provide a starting point for the understanding of the density-driven metal-insulator transition observed in many complex oxides.

Broad-scale patterns of Brook Trout responses to introduced Brown Trout in New York

Science.gov (United States)

McKenna, James E.; Slattery, Michael T.; Kean M. Clifford,

2013-01-01

Brook Trout Salvelinus fontinalis and Brown Trout Salmo trutta are valuable sport fish that coexist in many parts of the world due to stocking introductions. Causes for the decline of Brook Trout within their native range are not clear but include competition with Brown Trout, habitat alteration, and repetitive stocking practices. New York State contains a large portion of the Brook Trout's native range, where both species are maintained by stocking and other management actions. We used artificial neural network models, regression, principal components analysis, and simulation to evaluate the effects of Brown Trout, environmental conditions, and stocking on the distribution of Brook Trout in the center of their native range. We found evidence for the decline of Brook Trout in the presence of Brown Trout across many watersheds; 22% of sampled reaches where both species were expected to occur contained only Brown Trout. However, a model of the direct relationship between Brook Trout and Brown Trout abundance explained less than 1% of data variation. Ordination showed extensive overlap of Brook Trout and Brown Trout habitat conditions, with only small components of the hypervolume (multidimensional space) being distinctive. Subsequent analysis indicated higher abundances of Brook Trout in highly forested areas, while Brown Trout were more abundant in areas with relatively high proportions of agriculture. Simulation results indicated that direct interactions and habitat conditions were relatively minor factors compared with the effects of repeated stocking of Brown Trout into Brook Trout habitat. Intensive annual stocking of Brown Trout could eliminate resident Brook Trout in less than a decade. Ecological differences, harvest behavior, and other habitat changes can exacerbate Brook Trout losses. Custom stocking scenarios with Brown Trout introductions at relatively low proportions of resident Brook Trout populations may be able to sustain healthy populations of both

Fidelity study of superconductivity in extended Hubbard models

Science.gov (United States)

Plonka, N.; Jia, C. J.; Wang, Y.; Moritz, B.; Devereaux, T. P.

2015-07-01

The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. We find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they are attractive or repulsive, seemingly due to competing charge fluctuations.

Superconducting, magnetic, and charge correlations in the doped two-chain Hubbard model

International Nuclear Information System (INIS)

Asai, Y.

1995-01-01

We have studied the superconducting, magnetic, and charge correlation functions and the spin excitation spectrum in the doped two-chain Hubbard model by projector Monte Carlo and Lanczos diagonalization methods. The exponent of the interchain singlet superconducting correlation function, γ, is found to be close to 2.0 as long as two distinct noninteracting bands cross the Fermi level. Magnetic and charge correlation functions decay more rapidly than or as fast as the interchain singlet superconducting correlation function along the chains. The superconducting correlation in the doped two-chain Hubbard model is the most long-range correlation studied here. Implications of the results for the possible universality class of the doped two-chain Hubbard model are discussed

Superconducting correlations in the one-band Hubbard model with intermediate on-site and weak attractive intersite interactions

International Nuclear Information System (INIS)

Jain, K.P.; Ramakumar, R.; Chancey, C.C.

1990-01-01

In this paper, we analyze a simple extended Hubbard model with an intermediate on-site interaction (both repulsive and attractive) and a weak intersite attractive interaction. Following Hubbard decoupling approximations and introducing Hubbard subband operators, we obtain a generalized gap function for singlet s-wave pairing that explicitly depends on the Hubbard subband energies. For the on-site repulsive-interaction case, we find that the superconductivity is not destroyed in the intermediate-interaction regime, contrary to the prediction of a Hartree-Fock mean-field treatment. The essential consequence of the on-site repulsion is the formation of the Hubbard subbands separated by the Mott-Hubbard gap, and it is within these subbands that pairing induced by the intersite interaction occurs. For the attractive on-site interaction case, the on-site pairing amplitude is found to be proportional to the bandwidth, and the gap function has contributions from both on-site and intersite pairing. The relevance of the model to high-temperature superconductivity is discussed

Spatial and temporal movement dynamics of brook Salvelinus fontinalis and brown trout Salmo trutta

Science.gov (United States)

Davis, L.A.; Wagner, Tyler; Barton, Meredith L.

2015-01-01

Native eastern brook trout Salvelinus fontinalis and naturalized brown trout Salmo trutta occur sympatrically in many streams across the brook trout’s native range in the eastern United States. Understanding within- among-species variability in movement, including correlates of movement, has implications for management and conservation. We radio tracked 55 brook trout and 45 brown trout in five streams in a north-central Pennsylvania, USA watershed to quantify the movement of brook trout and brown trout during the fall and early winter to (1) evaluate the late-summer, early winter movement patterns of brook trout and brown trout, (2) determine correlates of movement and if movement patterns varied between brook trout and brown trout, and (3) evaluate genetic diversity of brook trout within and among study streams, and relate findings to telemetry-based observations of movement. Average total movement was greater for brown trout (mean ± SD = 2,924 ± 4,187 m) than for brook trout (mean ± SD = 1,769 ± 2,194 m). Although there was a large amount of among-fish variability in the movement of both species, the majority of movement coincided with the onset of the spawning season, and a threshold effect was detected between stream flow and movement: where movement increased abruptly for both species during positive flow events. Microsatellite analysis of brook trout revealed consistent findings to those found using radio-tracking, indicating a moderate to high degree of gene flow among brook trout populations. Seasonal movement patterns and the potential for relatively large movements of brook and brown trout highlight the importance of considering stream connectivity when restoring and protecting fish populations and their habitats.

Collaborative Research: Snow Accumulation and Snow Melt in a Mixed Northern Hardwood-Conifer Forest, Version 1

Data.gov (United States)

National Aeronautics and Space Administration — This data set contains snow depth, Snow Water Equivalent (SWE), and forest cover characteristics for sites at the Hubbard Brook Experimental Forest in northern New...

Classical mapping for Hubbard operators: Application to the double-Anderson model

Energy Technology Data Exchange (ETDEWEB)

Li, Bin; Miller, William H. [Department of Chemistry and Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Levy, Tal J.; Rabani, Eran [School of Chemistry, The Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978 (Israel)

2014-05-28

A classical Cartesian mapping for Hubbard operators is developed to describe the nonequilibrium transport of an open quantum system with many electrons. The mapping of the Hubbard operators representing the many-body Hamiltonian is derived by using analogies from classical mappings of boson creation and annihilation operators vis-à-vis a coherent state representation. The approach provides qualitative results for a double quantum dot array (double Anderson impurity model) coupled to fermionic leads for a range of bias voltages, Coulomb couplings, and hopping terms. While the width and height of the conduction peaks show deviations from the master equation approach considered to be accurate in the limit of weak system-leads couplings and high temperatures, the Hubbard mapping captures all transport channels involving transition between many electron states, some of which are not captured by approximate nonequilibrium Green function closures.

Evaluation of an Unsuccessful Brook Trout Electrofishing Removal Project in a Small Rocky Mountain Stream.

Energy Technology Data Exchange (ETDEWEB)

Meyer, Kevin A.; Lamansky, Jr., James A.; Schill, Daniel J.

2006-01-26

In the western United States, exotic brook trout Salvelinus fontinalis frequently have a deleterious effect on native salmonids, and biologists often attempt to remove brook trout from streams by means of electrofishing. Although the success of such projects typically is low, few studies have assessed the underlying mechanisms of failure, especially in terms of compensatory responses. A multiagency watershed advisory group (WAG) conducted a 3-year removal project to reduce brook trout and enhance native salmonids in 7.8 km of a southwestern Idaho stream. We evaluated the costs and success of their project in suppressing brook trout and looked for brook trout compensatory responses, such as decreased natural mortality, increased growth, increased fecundity at length, and earlier maturation. The total number of brook trout removed was 1,401 in 1998, 1,241 in 1999, and 890 in 2000; removal constituted an estimated 88% of the total number of brook trout in the stream in 1999 and 79% in 2000. Although abundance of age-1 and older brook trout declined slightly during and after the removals, abundance of age-0 brook trout increased 789% in the entire stream 2 years after the removals ceased. Total annual survival rate for age-2 and older brook trout did not decrease during the removals, and the removals failed to produce an increase in the abundance of native redband trout Oncorhynchus mykiss gairdneri. Lack of a meaningful decline and unchanged total mortality for older brook trout during the removals suggest that a compensatory response occurred in the brook trout population via reduced natural mortality, which offset the removal of large numbers of brook trout. Although we applaud WAG personnel for their goal of enhancing native salmonids by suppressing brook trout via electrofishing removal, we conclude that their efforts were unsuccessful and suggest that similar future projects elsewhere over such large stream lengths would be costly, quixotic enterprises.

Thermodynamic modeling of NH_3-CO_2-SO_2-K_2SO_4-H_2O system for combined CO_2 and SO_2 capture using aqueous NH_3

International Nuclear Information System (INIS)

Qi, Guojie; Wang, Shujuan

2017-01-01

Highlights: • A new application of aqueous NH_3 based combined CO_2 and SO_2 process was proposed. • A thermodynamic model simulated the heat of absorption and the K_2SO_4 precipitation. • The CO_2 content can be regenerated in a stripper with lower heat of desorption. • The SO_2 content can be removed by K_2SO_4 precipitation from the lean NH_3 solvent. - Abstract: A new application of aqueous NH_3 based post-combustion CO_2 and SO_2 combined capture process was proposed to simultaneously capture CO_2 and SO_2, and remove sulfite by solid (K_2SO_4) precipitation method. The thermodynamic model of the NH_3-CO_2-SO_2-K_2SO_4-H_2O system for the combined CO_2 and SO_2 capture process was developed and validated in this work to analyze the heat of CO_2 and SO_2 absorption in the NH_3-CO_2-SO_2-H_2O system, and the K_2SO_4 precipitation characteristics in the NH_3-CO_2-SO_2-K_2SO_4-H_2O system. The average heat of CO_2 absorption in the NH_3-CO_2-H_2O system at 40 °C is around −73 kJ/mol CO_2 in 2.5 wt% NH_3 with CO_2 loading between 0.2 and 0.5 C/N. The average heat of SO_2 absorption in the NH_3-SO_2-H_2O system at 40 °C is around −120 kJ/mol SO_2 in 2.5 wt% NH_3 with SO_2 loading between 0 and 0.5 S/N. The average heat of CO_2 absorption in the NH_3-CO_2-SO_2-H_2O system at 40 °C is 77, 68, and 58 kJ/mol CO_2 in 2.5 wt% NH_3 with CO_2 loading between 0.2 and 0.5 C/N, when SO_2 loading is 0, 0.1, 0.2 S/N, respectively. The solubility of K_2SO_4 increases with temperature, CO_2 and SO_2 loadings, but decreases with NH_3 concentration in the CO_2 and SO_2 loaded aqueous NH_3. The thermodynamic evaluation indicates that the combined CO_2 and SO_2 capture process could employ the typical absorption/regeneration process to simultaneously capture CO_2 and SO_2 in an absorber, thermally desorb CO_2 in a stripper, and feasibly remove sulfite (oxidized to sulfate) content by precipitating K_2SO_4 from the lean NH_3 solvent after the lean/rich heat exchanger.

Cold Attractive Spin Polarized Fermi Lattice Gases and the Doped Positive U Hubbard Model

International Nuclear Information System (INIS)

Moreo, Adriana; Scalapino, D. J.

2007-01-01

Experiments on polarized fermion gases performed by trapping ultracold atoms in optical lattices allow the study of an attractive Hubbard model for which the strength of the on-site interaction is tuned by means of a Feshbach resonance. Using a well-known particle-hole transformation we discuss how results obtained for this system can be reinterpreted in the context of a doped repulsive Hubbard model. In particular, we show that the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state corresponds to the striped state of the two-dimensional doped positive U Hubbard model. We then use the results of numerical studies of the striped state to relate the periodicity of the FFLO state to the spin polarization. We also comment on the relationship of the d x 2 -y 2 superconducting phase of the doped 2D repulsive Hubbard model to a d-wave spin density wave state for the attractive case

The symmetry of the Hubbard model

International Nuclear Information System (INIS)

Grosse, H.

1988-01-01

The spectrum of the Hubbard model shows permanent degeneracy of levels with different symmetry, if one considers only symmetry operators independent of the coupling constant. This suggests the existence of symmetry operators which depend on the coupling constant. We find these highly nontrivial operators and show that they explain the degeneracies in the energy spectrum. 5 refs. (Author)

Molecular beam epitaxy of GaN(0001) utilizing NH3 and/or NH+x ions: Growth kinetics and defect structure

International Nuclear Information System (INIS)

Lee, N.; Powell, R.C.; Kim, Y.; Greene, J.E.

1995-01-01

Gas-source molecular beam epitaxy (GS-MBE), utilizing Ga and NH 3 , and reactive-ion MBE (RIMBE), incorporating both thermal NH 3 and low-energy NH + x ions, were used to grow single crystal GaN(0001) layers on Al 2 O 3 (0001) at temperatures T s between 700 and 850 degree C with deposition rates of 0.2--0.5 μm h -1 . The RIMBE experiments were carried out with incident NH + x /Ga flux ratios J NH + x /J Ga =1.9--3.2 and NH + x acceleration energies E NH + x =45--90 eV. Plan-view and cross-sectional transmission electron microscopy analyses showed that the primary defects in the GS-MBE films were threading dislocations having either pure edge or mixed edge/screw characteristics with Burgers vectors bar b=1/3 left-angle 2 bar 1 bar 10 right-angle, basal-plane stacking faults with displacement vectors bar R=1/6 left-angle 02 bar 23 right-angle, and prismatic stacking faults with bar R=1/2 left-angle bar 1101 right-angle. In the case of RIMBE films, no stacking faults or residual ion-induced defects were observed with E NH + x =45 eV and T s ≥800 degree C. However, increasing E NH + x to ≥60 eV at T s =800 degree C gave rise to the formation of residual ion-induced point-defect clusters observable by transmission electron microscopy (TEM). Increasing T s to 850 degree C with E NH + x ≥60 eV resulted in the ion-induced defects aggregating to form interstitial basal and prismatic dislocation loops, whose number densities depended upon the ion flux, with Burgers vectors 1/2 left-angle 0001 right-angle and 1/3 left-angle 2 bar 1 bar 10 right-angle, respectively. (Abstract Truncated)

Exotic superconducting states in the extended attractive Hubbard model.

Science.gov (United States)

Nayak, Swagatam; Kumar, Sanjeev

2018-04-04

We show that the extended attractive Hubbard model on a square lattice allows for a variety of superconducting phases, including exotic mixed-symmetry phases with [Formula: see text] and [Formula: see text] symmetries, and a novel [Formula: see text] state. The calculations are performed within the Hartree-Fock Bardeen-Cooper-Schrieffer framework. The ground states of the mean-field Hamiltonian are obtained via a minimization scheme that relaxes the symmetry constraints on the superconducting solutions, hence allowing for a mixing of s-, p- and d-wave order parameters. The results are obtained within the assumption of uniform-density states. Our results show that extended attractive Hubbard model can serve as an effective model for investigating properties of exotic superconductors.

Symmetry-breaking solutions of the Hubbard model

International Nuclear Information System (INIS)

Kuzemsky, A.L.; )

1998-10-01

The problem of finding the ferromagnetic and antiferromagnetic ''broken symmetry'' solutions of the correlated lattice fermion models beyond the mean-field approximation has been investigated. The calculation of the quasiparticle excitation spectrum with damping for the single- and multi-orbital Hubbard model has been performed in the framework of the equation-of-motion method for two-time temperature Green's Functions within a non-perturbative approach. A unified scheme for the construction of Generalised Mean Fields (elastic scattering corrections) and self-energy (inelastic scattering) in terms of Dyson equation has been generalised in order to include the presence of the ''source fields''. The damping of quasiparticles, which reflects the interaction of the single-particle and collective degrees of freedom has been calculated. The ''broken symmetry'' dynamical solutions of the Hubbard model, which correspond to various types of itinerant antiferromagnetism have been discussed. This approach complements previous studies and clarifies the nature of the concepts of itinerant antiferromagnetism and ''spin-aligning field'' of correlated lattice fermions. (author)

The role of local repulsion in superconductivity in the Hubbard-Holstein model

Science.gov (United States)

Lin, Chungwei; Wang, Bingnan; Teo, Koon Hoo

2017-01-01

We examine the superconducting solution in the Hubbard-Holstein model using Dynamical Mean Field Theory. The Holstein term introduces the site-independent Boson fields coupling to local electron density, and has two competing influences on superconductivity: The Boson field mediates the effective electron-electron attraction, which is essential for the S-wave electron pairing; the same coupling to the Boson fields also induces the polaron effect, which makes the system less metallic and thus suppresses superconductivity. The Hubbard term introduces an energy penalty U when two electrons occupy the same site, which is expected to suppress superconductivity. By solving the Hubbard-Holstein model using Dynamical Mean Field theory, we find that the Hubbard U can be beneficial to superconductivity under some circumstances. In particular, we demonstrate that when the Boson energy Ω is small, a weak local repulsion actually stabilizesthe S-wave superconducting state. This behavior can be understood as an interplay between superconductivity, the polaron effect, and the on-site repulsion: As the polaron effect is strong and suppresses superconductivity in the small Ω regime, the weak on-site repulsion reduces the polaron effect and effectively enhances superconductivity. Our calculation elucidates the role of local repulsion in the conventional S-wave superconductors.

Spectral properties near the Mott transition in the two-dimensional Hubbard model

Science.gov (United States)

Kohno, Masanori

2013-03-01

Single-particle excitations near the Mott transition in the two-dimensional (2D) Hubbard model are investigated by using cluster perturbation theory. The Mott transition is characterized by the loss of the spectral weight from the dispersing mode that leads continuously to the spin-wave excitation of the Mott insulator. The origins of the dominant modes of the 2D Hubbard model near the Mott transition can be traced back to those of the one-dimensional Hubbard model. Various anomalous spectral features observed in cuprate high-temperature superconductors, such as the pseudogap, Fermi arc, flat band, doping-induced states, hole pockets, and spinon-like and holon-like branches, as well as giant kink and waterfall in the dispersion relation, are explained in a unified manner as properties near the Mott transition in a 2D system.

Hubbard interaction in the arbitrary Chern number insulator: A mean-field study

Energy Technology Data Exchange (ETDEWEB)

Wang, Yi-Xiang, E-mail: wangyixiang@jiangnan.edu.cn [School of Science, Jiangnan University, Wuxi 214122 (China); Cao, Jie [College of Science, Hohai University, Nanjing 210098 (China)

2017-05-10

The low-dimensional electron gas owing topological property has attracted many interests recently. In this work, we study the influence of the electron-electron interaction on the arbitrary Chern number insulator. Using the mean-field method, we approximately solve the Hubbard model in the half-filling case and obtain the phase diagrams in different parametric spaces. We further verify the results by calculating the entanglement spectrum, which contains C chiral modes and corresponds to a real space partitioning. - Highlights: • In this work, we made a mean-field study of the Hubbard interaction in the arbitrary Chern number insulator. • We point out that how the Zeeman splitting, the local magnetization and the Hubbard interaction are intimately related. • The mean-field phase diagrams are obtained in different parametric spaces. • The Chern number phase is demonstrated by calculating the entanglement spectrum.

Evaluation of catch-and-release regulations on Brook Trout in Pennsylvania streams

Science.gov (United States)

Jason Detar,; Kristine, David; Wagner, Tyler; Greene, Tom

2014-01-01

In 2004, the Pennsylvania Fish and Boat Commission implemented catch-and-release (CR) regulations on headwater stream systems to determine if eliminating angler harvest would result in an increase in the number of adult (≥100 mm) or large (≥175 mm) Brook Trout Salvelinus fontinalis. Under the CR regulations, angling was permitted on a year-round basis, no Brook Trout could be harvested at any time, and there were no tackle restrictions. A before-after–control-impact design was used to evaluate the experimental regulations. Brook Trout populations were monitored in 16 treatment (CR regulations) and 7 control streams (statewide regulations) using backpack electrofishing gear periodically for up to 15 years (from 1990 to 2003 or 2004) before the implementation of the CR regulations and over a 7–8-year period (from 2004 or 2005 to 2011) after implementation. We used Poisson mixed models to evaluate whether electrofishing catch per effort (CPE; catch/100 m2) of adult (≥100 mm) or large (≥175 mm) Brook Trout increased in treatment streams as a result of implementing CR regulations. Brook Trout CPE varied among sites and among years, and there was no significant effect (increase or decrease) of CR regulations on the CPE of adult or large Brook Trout. Results of our evaluation suggest that CR regulations were not effective at improving the CPE of adult or large Brook Trout in Pennsylvania streams. Low angler use, high voluntary catch and release, and slow growth rates in infertile headwater streams are likely the primary reasons for the lack of response.

LopheliaII2012: Coral Research on Oil Rigs in the Gulf of Mexico on TDI-Brooks Vessel Brooks McCall between 2012-07-12 and 2012-07-24

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The final year of a multi-year effort to study Lophelia coral communities in the Gulf of Mexico is occurring on the TDI-Brooks research vessel, Brooks McCall,...

Exchange and spin-fluctuation superconducting pairing in the strong correlation limit of the Hubbard model

International Nuclear Information System (INIS)

Plakida, N. M.; Anton, L.; Adam, S. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO); Adam, Gh. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO)

2001-01-01

A microscopical theory of superconductivity in the two-band singlet-hole Hubbard model, in the strong coupling limit in a paramagnetic state, is developed. The model Hamiltonian is obtained by projecting the p-d model to an asymmetric Hubbard model with the lower Hubbard subband occupied by one-hole Cu d-like states and the upper Hubbard subband occupied by two-hole p-d singlet states. The model requires two microscopical parameters only, the p-d hybridization parameter t and the charge-transfer gap Δ. It was previously shown to secure an appropriate description of the normal state properties of the high -T c cuprates. To treat rigorously the strong correlations, the Hubbard operator technique within the projection method for the Green function is used. The Dyson equation is derived. In the molecular field approximation, d-wave superconducting pairing of conventional hole (electron) pairs in one Hubbard subband is found, which is mediated by the exchange interaction given by the interband hopping, J ij = 4 (t ij ) 2 / Δ. The normal and anomalous components of the self-energy matrix are calculated in the self-consistent Born approximation for the electron-spin-fluctuation scattering mediated by kinematic interaction of the second order of the intraband hopping. The derived numerical and analytical solutions predict the occurrence of singlet d x 2 -y 2 -wave pairing both in the d-hole and singlet Hubbard subbands. The gap functions and T c are calculated for different hole concentrations. The exchange interaction is shown to be the most important pairing interaction in the Hubbard model in the strong correlation limit, while the spin-fluctuation coupling results only in a moderate enhancement of T c . The smaller weight of the latter comes from two specific features: its vanishing inside the Brillouin zone (BZ) along the lines, |k x | + |k y |=π pointing towards the hot spots and the existence of a small energy shell within which the pairing is effective. By

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.

2012 USGS Lidar: Brooks Camp (AK)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The U.S. Geological Survey (USGS) had a requirement for high resolution Lidar needed for mapping the Brooks Camp region of Katmai National Park in Alaska....

Ferromagnetism in the Hubbard-Hirsch model

International Nuclear Information System (INIS)

Ivanov, V.A.; Zhuravlev, M.E.

1991-01-01

In the Hubbard model U=∞ the energy lowering due to exchange interaction of electrons of opposite spin in states with opposite bonding character is taken into account. In the electron concentration range 0< n<1 nonmonotonous dependence m(n) analogous to Slater-Pauling curves has been obtained. The Curle temperature having nonmonotonous dependence on n, saturated magnetization, the temperature dependences of magnetization have been obtained. (orig.)

Improved GaSb surfaces using a (NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}S0{sub 4} solution

Energy Technology Data Exchange (ETDEWEB)

Murape, D.M., E-mail: Davison.Murape@live.nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Eassa, N.; Nyamhere, C.; Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Betz, R. [Department of Chemistry, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Coetsee, E.; Swart, H.C. [Department of Physics, University of the Free State, PO Box 339, Bloemfontein 9300 (South Africa); Botha, J.R.; Venter, A. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa)

2012-05-15

Bulk (1 0 0) n-GaSb surfaces have been treated with a sulphur based solution ((NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}) to which sulphur has been added, not previously reported for the passivation of GaSb surfaces. Au/n-GaSb Schottky barrier diodes (SBDs) fabricated on the treated material show significant improvement compared to that of the similar SBDs on the as-received material as evidenced by the lower ideality factor (n), higher barrier height ({phi}{sub b}) and lower contact resistance obtained. Additionally, the reverse leakage current, although not saturating, has been reduced by almost an order of magnitude at -0.2 V. The sample surfaces were studied by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The native oxide, Sb-O, present on the as-received material is effectively removed on treating with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}]+S) and (NH{sub 4}){sub 2}S. Analysis of the as-received surface by XPS, prior to and after argon sputtering, suggests that the native oxide layer is {<=}8.5 nm.

Extended Hubbard model for mesoscopic transport in donor arrays in silicon

Science.gov (United States)

Le, Nguyen H.; Fisher, Andrew J.; Ginossar, Eran

2017-12-01

Arrays of dopants in silicon are promising platforms for the quantum simulation of the Fermi-Hubbard model. We show that the simplest model with only on-site interaction is insufficient to describe the physics of an array of phosphorous donors in silicon due to the strong intersite interaction in the system. We also study the resonant tunneling transport in the array at low temperature as a mean of probing the features of the Hubbard physics, such as the Hubbard bands and the Mott gap. Two mechanisms of localization which suppresses transport in the array are investigated: The first arises from the electron-ion core attraction and is significant at low filling; the second is due to the sharp oscillation in the tunnel coupling caused by the intervalley interference of the donor electron's wave function. This disorder in the tunnel coupling leads to a steep exponential decay of conductance with channel length in one-dimensional arrays, but its effect is less prominent in two-dimensional ones. Hence, it is possible to observe resonant tunneling transport in a relatively large array in two dimensions.

Phase competition in a one-dimensional three-orbital Hubbard-Holstein model

Science.gov (United States)

Li, Shaozhi; Tang, Yanfei; Maier, Thomas A.; Johnston, Steven

2018-05-01

We study the interplay between the electron-phonon (e -ph) and on-site electron-electron (e-e) interactions in a three-orbital Hubbard-Holstein model on an extended one-dimensional lattice using determinant quantum Monte Carlo. For weak e-e and e -ph interactions, we observe a competition between an orbital-selective Mott phase (OSMP) and a (multicomponent) charge-density-wave (CDW) insulating phase, with an intermediate metallic phase located between them. For large e-e and e -ph couplings, the OSMP and CDW phases persist, while the metallic phase develops short-range orbital correlations and becomes insulating when both the e-e and e -ph interactions are large but comparable. Many of our conclusions are in line with those drawn from a prior dynamical mean-field theory study of the two-orbital Hubbard-Holstein model [Phys. Rev. B 95, 121112(R) (2017), 10.1103/PhysRevB.95.121112] in infinite dimension, suggesting that the competition between the e -ph and e-e interactions in multiorbital Hubbard-Holstein models leads to rich physics, regardless of the dimension of the system.

Fate of high loads of ammonia in a pond and wetland downstream from a hazardous waste disposal site.

Science.gov (United States)

Cutrofello, Michele; Durant, John L

2007-07-01

Halls Brook (eastern Massachusetts, USA) is a significant source of total dissolved ammonia (sum of NH(3) and NH(4)(+); (NH(3))(T)) to the Aberjona River, a water body listed for NH(3) impairment on the Clean Water Act section 303(d) list. We hypothesized (1) that (NH(3))(T) in Halls Brook derived from a hazardous waste site via groundwater discharging to a two-basin pond that feeds the brook; and (2) that transport of (NH(3))(T) to the Aberjona River was controlled by lacustrine and wetland processes. To test these hypotheses we measured (NH(3))(T) levels in the brook, the pond, and a wetlands directly downstream of the pond during both dry and wet weather over a ten month period. In addition, we analyzed sediment cores and nitrogen isotopes, and performed mass balance calculations. Groundwater discharge from beneath the hazardous waste site was the major source of (NH(3))(T) (20-67 kg d(-1)) and salinity to the north basin of the pond. The salty bottom waters of the north basin were anoxic on all sampling dates, and exhibited relatively stable (NH(3))(T) concentrations between 200 and 600 mg Nl(-1). These levels were >100-times higher than typical background levels, and 8-24-times above the acute effects level for (NH(3))(T) toxicity. Bottom waters from the north basin continuously spill over into the south basin contributing approximately 50% of the (NH(3))(T) load entering this basin. The remainder comes from Halls Brook, which receives (NH(3))(T) loadings from as yet unknown sources upstream. During storm events up to 50% of the mass of (NH(3))(T) was flushed from the south basin and into the wetlands. The wetlands acted as a (NH(3))(T) sink in dry weather in the growing season and a discharge-dependent (NH(3))(T) source to the Aberjona River during rainstorms.

Nonperturbative approach to the attractive Hubbard model

International Nuclear Information System (INIS)

Allen, S.; Tremblay, A.-M. S.

2001-01-01

A nonperturbative approach to the single-band attractive Hubbard model is presented in the general context of functional-derivative approaches to many-body theories. As in previous work on the repulsive model, the first step is based on a local-field-type ansatz, on enforcement of the Pauli principle and a number of crucial sumrules. The Mermin-Wagner theorem in two dimensions is automatically satisfied. At this level, two-particle self-consistency has been achieved. In the second step of the approximation, an improved expression for the self-energy is obtained by using the results of the first step in an exact expression for the self-energy, where the high- and low-frequency behaviors appear separately. The result is a cooperon-like formula. The required vertex corrections are included in this self-energy expression, as required by the absence of a Migdal theorem for this problem. Other approaches to the attractive Hubbard model are critically compared. Physical consequences of the present approach and agreement with Monte Carlo simulations are demonstrated in the accompanying paper (following this one)

Hubbard physics in the PAW GW approximation

Energy Technology Data Exchange (ETDEWEB)

Booth, J. M., E-mail: jamie.booth@rmit.edu.au; Smith, J. S.; Russo, S. P. [Theoretical Chemical and Quantum Physics, School of Science, RMIT University, Melbourne, VIC (Australia); Drumm, D. W. [Theoretical Chemical and Quantum Physics, School of Science, RMIT University, Melbourne, VIC (Australia); Australian Research Council Centre of Excellence for Nanoscale BioPhotonics, School of Science, RMIT University, Melbourne, VIC (Australia); Casey, P. S. [CSIRO Manufacturing, Clayton, VIC (Australia)

2016-06-28

It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without significant nesting. This modification, when applied to the Mott insulator CuO, results in the opening of the Mott gap by the splitting of states at the Fermi level into upper and lower Hubbard bands, and exhibits a giant transfer of spectral weight upon electron doping. The method is also employed to clearly illustrate that the M{sub 1} and M{sub 2} forms of vanadium dioxide are fundamentally different types of insulator. Standard GW calculations are sufficient to open a gap in M{sub 1} VO{sub 2}, which arise from the Peierls pairing filling the valence band, creating homopolar bonds. The valence band wavefunctions are stabilized with respect to the conduction band, reducing polarizability and pushing the conduction band eigenvalues to higher energy. The M{sub 2} structure, however, opens a gap from strong on-site interactions; it is a Mott insulator.

Physical properties of the half-filled Hubbard model in infinite dimensions

International Nuclear Information System (INIS)

Georges, A.; Krauth, W.

1993-01-01

A detailed quantitative study of the physical properties of the infinite-dimensional Hubbard model at half filling is presented. The method makes use of an exact mapping onto a single-impurity model supplemented by a self-consistency condition. This coupled problem is solved numerically. Results for thermodynamic quantities (specific heat, entropy, . . .), one-particle spectral properties, and magnetic properties (response to a uniform magnetic field) are presented and discussed. The nature of the Mott-Hubbard metal-insulator transition found in this model is investigated. A numerical solution of the mean-field equations inside the antiferromagnetic phase is also reported

Brook trout use of thermal refugia and foraging habitat influenced by brown trout

Science.gov (United States)

Hitt, Nathaniel P.; Snook, Erin; Massie, Danielle L.

2017-01-01

The distribution of native brook trout (Salvelinus fontinalis) in eastern North America is often limited by temperature and introduced brown trout (Salmo trutta), the relative importance of which is poorly understood but critical for conservation and restoration planning. We evaluated effects of brown trout on brook trout behavior and habitat use in experimental streams across increasing temperatures (14–23 °C) with simulated groundwater upwelling zones providing thermal refugia (6–9 °C below ambient temperatures). Allopatric and sympatric trout populations increased their use of upwelling zones as ambient temperatures increased, demonstrating the importance of groundwater as thermal refugia in warming streams. Allopatric brook trout showed greater movement rates and more even spatial distributions within streams than sympatric brook trout, suggesting interference competition by brown trout for access to forage habitats located outside thermal refugia. Our results indicate that removal of introduced brown trout may facilitate native brook trout expansion and population viability in downstream reaches depending in part on the spatial configuration of groundwater upwelling zones.

Study of the two-dimensional Hubbard model at half-filling through constructive methods; Etude du modele de Hubbard bidimensionnel a demi remplissage par des methodes constructives

Energy Technology Data Exchange (ETDEWEB)

Afchain, St

2005-02-15

The Hubbard model is the simplest model to describe the behaviour of fermions on a network, it takes into account only fermion scattering and only interactions with other fermions located on the same site. Half-filling means that the total number of fermions is equal to half the number of sites. In the first chapter we show how we can pass trough successive approximations from a very general Hamiltonian to the Hubbard Hamiltonian. The second chapter is dedicated to the passage from the Hamiltonian formalism to the Grassmanian functional formalism. The main idea is to show that the correlation functions of the Hamiltonian approach can be described through fermionic functional integrals which implies the possibility of speaking of the model in terms of field theory. The chapter 3 deals with the main constructive techniques that allow the strict and consistent construction of models inside the frame of field theory. We show by proving the violation of a condition concerning self-energy, that the two-dimensional Hubbard model at half-filling has not the behaviour of a Fermi liquid in the Landau's interpretation. (A.C.)

The Why, What, and Impact of GPA at Oxford Brookes University

Science.gov (United States)

Andrews, Matthew

2016-01-01

This paper examines the introduction at Oxford Brookes University of a Grade Point Average (GPA) scheme alongside the traditional honours degree classification. It considers the reasons for the introduction of GPA, the way in which the scheme was implemented, and offers an insight into the impact of GPA at Brookes. Finally, the paper considers…

Functional renormalization for antiferromagnetism and superconductivity in the Hubbard model

International Nuclear Information System (INIS)

Friederich, Simon

2010-01-01

Despite its apparent simplicity, the two-dimensional Hubbard model for locally interacting fermions on a square lattice is widely considered as a promising approach for the understanding of Cooper pair formation in the quasi two-dimensional high-T c cuprate materials. In the present work this model is investigated by means of the functional renormalization group, based on an exact flow equation for the effective average action. In addition to the fermionic degrees of freedom of the Hubbard Hamiltonian, bosonic fields are introduced which correspond to the different possible collective orders of the system, for example magnetism and superconductivity. The interactions between bosons and fermions are determined by means of the method of ''rebosonization'' (or ''flowing bosonization''), which can be described as a continuous, scale-dependent Hubbard-Stratonovich transformation. This method allows an efficient parameterization of the momentum-dependent effective two-particle interaction between fermions (four-point vertex), and it makes it possible to follow the flow of the running couplings into the regimes exhibiting spontaneous symmetry breaking, where bosonic fluctuations determine the types of order which are present on large length scales. Numerical results for the phase diagram are presented, which include the mutual influence of different, competing types of order. (orig.)

Functional renormalization for antiferromagnetism and superconductivity in the Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Friederich, Simon

2010-12-08

Despite its apparent simplicity, the two-dimensional Hubbard model for locally interacting fermions on a square lattice is widely considered as a promising approach for the understanding of Cooper pair formation in the quasi two-dimensional high-T{sub c} cuprate materials. In the present work this model is investigated by means of the functional renormalization group, based on an exact flow equation for the effective average action. In addition to the fermionic degrees of freedom of the Hubbard Hamiltonian, bosonic fields are introduced which correspond to the different possible collective orders of the system, for example magnetism and superconductivity. The interactions between bosons and fermions are determined by means of the method of ''rebosonization'' (or ''flowing bosonization''), which can be described as a continuous, scale-dependent Hubbard-Stratonovich transformation. This method allows an efficient parameterization of the momentum-dependent effective two-particle interaction between fermions (four-point vertex), and it makes it possible to follow the flow of the running couplings into the regimes exhibiting spontaneous symmetry breaking, where bosonic fluctuations determine the types of order which are present on large length scales. Numerical results for the phase diagram are presented, which include the mutual influence of different, competing types of order. (orig.)

Physicochemical Analysis of Water Quality of Brook Kuruçay

Directory of Open Access Journals (Sweden)

Ekrem Mutlu

2016-11-01

Full Text Available In this study, through the analyses of water samples taken from 9 stations on the brook between July 2012 and June 2013, we aimed to determine the monthly and seasonal changes in water quality parameters of Brook Kuruçay, to determine the water quality properties, to reveal the pollution problems, to determine the suitability level in terms of aquatic life and to classify the quality of water in accordance with Surface Water Quality Management Regulation’s Inland Surface Water Classes criteria. The study area is located southeast of the Hafik District of Sivas city and the altitude is 2608 m. The water samples were collected from 9 stations established on the brook, and some physicochemical parameters and heavy metal concentrations were analyzed in water samples. The cleaning and maintenance of all of the equipment, land-type measurement tools, and glass sampling containers to be used in sampling were made 1 day before sampling. Sampling tubes were immersed into 15 cm below the water surface for taking water samples. Heavy metal concentrations were determined in the Sivas Provincial Control Laboratory in the same day with sampling (within 5 hours. The total alkalinity, total hardness, ammonium nitrogen, nitrite, nitrate, ammonium azote, phosphate, sulfite, sulfate, chloride, sodium, potassium, suspended solid matter (SSM, chemical oxygen demand (COD, biological oxygen demand (BOD, calcium, magnesium, ferrous, lead, copper, zinc, nickel, mercury and cadmium analyses of water samples were performed. As a result of the analyses, it was determined that, since Brook Kuruçay falls into the water resource class, which is the most sensitive to pollution, the water quality of the brook should be monitored regularly.

Irradiated NH3 and ND3 - two new target materials for polarized targets

International Nuclear Information System (INIS)

Meyer, W.

1982-11-01

A study of dynamic nuclear polarization (DNP) in NH 3 and ND 3 was made at the Bonn 2.5 GeV electron synchrotron. The paramagnetic radicals in the polycristalline ammonia beads were created by irradiation in the high intensity 20 MeV electron beam (> 10 14 electrons/sec) of the injection linac. During irradiation the ammonia beads, produced by dropping into liquid nitrogen, were cooled in liquid argon at approx.= 90 K. DNP measurements were performed at 1 K, 0.5 K and 0.2 K in a 2.5 T magnetic field. Samples of NH 3 , prepared in this way, yielded a maximum proton polarization of 66% at a temperature of 0.5 K with a short polarization build-up time of 9 minutes. ND 3 could be polarized at a temperature of 0.2 K up to 31%. The radiation resistance of the polarization of NH 3 is better than that of butanol. (orig.)

Mott-Hubbard transition and Anderson localization: A generalized dynamical mean-field theory approach

International Nuclear Information System (INIS)

Kuchinskii, E. Z.; Nekrasov, I. A.; Sadovskii, M. V.

2008-01-01

The DOS, the dynamic (optical) conductivity, and the phase diagram of a strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT + Σ approximation). Strong correlations are taken into account by the DMFT, and disorder is taken into account via an appropriate generalization of the self-consistent theory of localization. The DMFT effective single-impurity problem is solved by a numerical renormalization group (NRG); we consider the three-dimensional system with a semielliptic DOS. The correlated metal, Mott insulator, and correlated Anderson insulator phases are identified via the evolution of the DOS and dynamic conductivity, demonstrating both the Mott-Hubbard and Anderson metal-insulator transition and allowing the construction of the complete zero-temperature phase diagram of the Anderson-Hubbard model. Rather unusual is the possibility of a disorder-induced Mott insulator-to-metal transition

Exact many-electron ground states on diamond and triangle Hubbard chains

International Nuclear Information System (INIS)

Gulacsi, Zsolt; Kampf, Arno; Vollhardt, Dieter

2009-01-01

We construct exact ground states of interacting electrons on triangle and diamond Hubbard chains. The construction requires (1) a rewriting of the Hamiltonian into positive semidefinite form, (2) the construction of a many-electron ground state of this Hamiltonian, and (3) the proof of the uniqueness of the ground state. This approach works in any dimension, requires no integrability of the model, and only demands sufficiently many microscopic parameters in the Hamiltonian which have to fulfill certain relations. The scheme is first employed to construct exact ground state for the diamond Hubbard chain in a magnetic field. These ground states are found to exhibit a wide range of properties such as flat-band ferromagnetism and correlation induced metallic, half-metallic or insulating behavior, which can be tuned by changing the magnetic flux, local potentials, or electron density. Detailed proofs of the uniqueness of the ground states are presented. By the same technique exact ground states are constructed for triangle Hubbard chains and a one-dimensional periodic Anderson model with nearest-neighbor hybridization. They permit direct comparison with results obtained by variational techniques for f-electron ferromagnetism due to a flat band in CeRh 3 B 2 . (author)

Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array

Science.gov (United States)

Hensgens, T.; Fujita, T.; Janssen, L.; Li, Xiao; van Diepen, C. J.; Reichl, C.; Wegscheider, W.; Das Sarma, S.; Vandersypen, L. M. K.

2017-08-01

Interacting fermions on a lattice can develop strong quantum correlations, which are the cause of the classical intractability of many exotic phases of matter. Current efforts are directed towards the control of artificial quantum systems that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction-band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical initialization of low-entropy states and readily adhere to the Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disorder of the solid state has meant that only a few attempts at emulating Fermi-Hubbard physics on solid-state platforms have been made. Here we show that for gate-defined quantum dots this disorder can be suppressed in a controlled manner. Using a semi-automated and scalable set of experimental tools, we homogeneously and independently set up the electron filling and nearest-neighbour tunnel coupling in a semiconductor quantum dot array so as to simulate a Fermi-Hubbard system. With this set-up, we realize a detailed characterization of the collective Coulomb blockade transition, which is the finite-size analogue of the interaction-driven Mott metal-to-insulator transition. As automation and device fabrication of semiconductor quantum dots continue to improve, the ideas presented here will enable the investigation of the physics of ever more complex many-body states using quantum dots.

Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array.

Science.gov (United States)

Hensgens, T; Fujita, T; Janssen, L; Li, Xiao; Van Diepen, C J; Reichl, C; Wegscheider, W; Das Sarma, S; Vandersypen, L M K

2017-08-02

Interacting fermions on a lattice can develop strong quantum correlations, which are the cause of the classical intractability of many exotic phases of matter. Current efforts are directed towards the control of artificial quantum systems that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction-band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical initialization of low-entropy states and readily adhere to the Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disorder of the solid state has meant that only a few attempts at emulating Fermi-Hubbard physics on solid-state platforms have been made. Here we show that for gate-defined quantum dots this disorder can be suppressed in a controlled manner. Using a semi-automated and scalable set of experimental tools, we homogeneously and independently set up the electron filling and nearest-neighbour tunnel coupling in a semiconductor quantum dot array so as to simulate a Fermi-Hubbard system. With this set-up, we realize a detailed characterization of the collective Coulomb blockade transition, which is the finite-size analogue of the interaction-driven Mott metal-to-insulator transition. As automation and device fabrication of semiconductor quantum dots continue to improve, the ideas presented here will enable the investigation of the physics of ever more complex many-body states using quantum dots.

NRDA-processed CTD data from the Brooks McCall in the Gulf of Mexico, Cruise 2 Leg 1, collected from 2010-05-15 to 2010-05-17, associated with the Deepwater Horizon Oil Spill event (NCEI Accession 0130011)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Conductivity Temperature and Depth (CTD) measurements were collected aboard the R/V Brooks McCall, Cruise 02 to determine physical oceanographic parameters of the...

Harriet Brooks: Canada's First Woman Physicist

Science.gov (United States)

Rayner-Canham, Geoffrey

2004-03-01

During those early halcyon days of the study of radioactivity, one young Canadian woman, Harriet Brooks, joined Ernest Rutherford's group as his first research student. Later, she joined J.J. Thomson's group in Cambridge and, finally, Marie Curie's group in Paris. During her short research career, she made several important contributions to science. She investigated the nature of 'emanation' from radium; discovered that radioactive substances could undergo successive decay; and first reported the recoil of the radioactive atom. Much of this research was published under her name alone though Rutherford made extensive reference to her discoveries in his Bakerian lecture of 1904. Brooks life is of interest not only in what she accomplished, but also in the challenges she faced as a pioneering woman scientist in the early part of the twentieth century. In the presentation we will blend the account of her life and work with the societal context. This work was accomplished jointly with Marelene F. Rayner-Canham.

Fall and winter survival of brook trout and brown trout in a north-central Pennsylvania watershed

Science.gov (United States)

Sweka, John A.; Davis, Lori A.; Wagner, Tyler

2017-01-01

Stream-dwelling salmonids that spawn in the fall generally experience their lowest survival during the fall and winter due to behavioral changes associated with spawning and energetic deficiencies during this time of year. We used data from Brook Trout Salvelinus fontinalis and Brown Trout Salmo trutta implanted with radio transmitters in tributaries of the Hunts Run watershed of north-central Pennsylvania to estimate survival from the fall into the winter seasons (September 2012–February 2013). We examined the effects that individual-level covariates (trout species, size, and movement rates) and stream-level covariates (individual stream and cumulative drainage area of a stream) have on survival. Brook Trout experienced significantly lower survival than Brown Trout, especially in the early fall during their peak spawning period. Besides a significant species effect, none of the other covariates examined influenced survival for either species. A difference in life history between these species, with Brook Trout having a shorter life expectancy than Brown Trout, is likely the primary reason for the lower survival of Brook Trout. However, Brook Trout also spawn earlier in the fall than Brown Trout and low flows during Brook Trout spawning may have resulted in a greater risk of predation for Brook Trout compared with Brown Trout, thereby also contributing to the observed differences in survival between these species. Our estimates of survival can aid parameterization of future population models for Brook Trout and Brown Trout through the spawning season and into winter.

Phase diagram and re-entrant fermionic entanglement in a hybrid Ising-Hubbard ladder

Science.gov (United States)

Sousa, H. S.; Pereira, M. S. S.; de Oliveira, I. N.; Strečka, J.; Lyra, M. L.

2018-05-01

The degree of fermionic entanglement is examined in an exactly solvable Ising-Hubbard ladder, which involves interacting electrons on the ladder's rungs described by Hubbard dimers at half-filling on each rung, accounting for intrarung hopping and Coulomb terms. The coupling between neighboring Hubbard dimers is assumed to have an Ising-like nature. The ground-state phase diagram consists of four distinct regions corresponding to the saturated paramagnetic, the classical antiferromagnetic, the quantum antiferromagnetic, and the mixed classical-quantum phase. We have exactly computed the fermionic concurrence, which measures the degree of quantum entanglement between the pair of electrons on the ladder rungs. The effects of the hopping amplitude, the Coulomb term, temperature, and magnetic fields on the fermionic entanglement are explored in detail. It is shown that the fermionic concurrence displays a re-entrant behavior when quantum entanglement is being generated at moderate temperatures above the classical saturated paramagnetic ground state.

Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 perovskites for solar cell applications.

Science.gov (United States)

Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

2014-03-26

Hybrid AMX3 perovskites (A = Cs, CH3NH3; M = Sn, Pb; X = halide) have revolutionized the scenario of emerging photovoltaic technologies, with very recent results demonstrating 15% efficient solar cells. The CH3NH3PbI3/MAPb(I(1-x)Cl(x))3 perovskites have dominated the field, while the similar CH3NH3SnI3 has not been exploited for photovoltaic applications. Replacement of Pb by Sn would facilitate the large uptake of perovskite-based photovoltaics. Despite the extremely fast progress, the materials electronic properties which are key to the photovoltaic performance are relatively little understood. Density Functional Theory electronic structure methods have so far delivered an unbalanced description of Pb- and Sn-based perovskites. Here we develop an effective GW method incorporating spin-orbit coupling which allows us to accurately model the electronic, optical and transport properties of CH3NH3SnI3 and CH3NH3PbI3, opening the way to new materials design. The different CH3NH3SnI3 and CH3NH3PbI3 electronic properties are discussed in light of their exploitation for solar cells, and found to be dominantly due to relativistic effects. These effects stabilize the CH3NH3PbI3 material towards oxidation, by inducing a deeper valence band edge. Relativistic effects, however, also increase the material band-gap compared to CH3NH3SnI3, due to the valence band energy downshift (~0.7 eV) being only partly compensated by the conduction band downshift (~0.2 eV).

HPLC and ELISA analyses of larval bile acids from Pacific and western brook lampreys

Science.gov (United States)

Yun, S.-S.; Scott, A.P.; Bayer, J.M.; Seelye, J.G.; Close, D.A.; Li, W.

2003-01-01

Comparative studies were performed on two native lamprey species, Pacific lamprey (Lampetra tridentata) and western brook lamprey (Lampetra richardsoni) from the Pacific coast along with sea lamprey (Petromyzon marinus) from the Great Lakes, to investigate their bile acid production and release. HPLC and ELISA analyses of the gall bladders and liver extract revealed that the major bile acid compound from Pacific and western brook larval lampreys was petromyzonol sulfate (PZS), previously identified as a migratory pheromone in larval sea lamprey. An ELISA for PZS has been developed in a working range of 20pg-10ng per well. The tissue concentrations of PZS in gall bladder were 127.40, 145.86, and 276.96??g/g body mass in sea lamprey, Pacific lamprey, and western brook lamprey, respectively. Releasing rates for PZS in the three species were measured using ELISA to find that western brook and sea lamprey released PZS 20 times higher than Pacific lamprey did. Further studies are required to determine whether PZS is a chemical cue in Pacific and western brook lampreys. ?? 2003 Elsevier Inc. All rights reserved.

Interaction effect in the Kondo energy of the periodic Anderson-Hubbard model

Science.gov (United States)

Itai, K.; Fazekas, P.

1996-07-01

We extend the periodic Anderson model by switching on a Hubbard U for the conduction band. The nearly integral valent limit of the Anderson-Hubbard model is studied with the Gutzwiller variational method. The lattice Kondo energy shows U dependence both in the prefactor and the exponent. Switching on U reduces the Kondo scale, which can be understood to result from the blocking of hybridization. At half filling, we find a Brinkman-Rice-type transition from a Kondo insulator to a Mott insulator. Our findings should be relevant for a number of correlated two-band models of recent interest.

Hubbard-Stratonovich-like Transformations for Few-Body Inter-actions

Directory of Open Access Journals (Sweden)

Körber Christopher

2018-01-01

Full Text Available Through the development of many-body methodology and algorithms, it has become possible to describe quantum systems composed of a large number of particles with great accuracy. Essential to all these methods is the application of auxiliary fields via the Hubbard-Stratonovich transformation. This transformation effectively reduces two-body interactions to interactions of one particle with the auxiliary field, thereby improving the computational scaling of the respective algorithms. The relevance of collective phenomena and interactions grows with the number of particles. For many theories, e.g. Chiral Perturbation Theory, the inclusion of three-body forces has become essential in order to further increase the accuracy on the many-body level. In this proceeding, the an-alytical framework for establishing a Hubbard-Stratonovich-like transformation, which allows for the systematic and controlled inclusion of contact three-and more-body inter-actions, is presented.

Magnon edge states in the hardcore- Bose-Hubbard model.

Science.gov (United States)

Owerre, S A

2016-11-02

Quantum Monte Carlo (QMC) simulation has uncovered nonzero Berry curvature and bosonic edge states in the hardcore-Bose-Hubbard model on the gapped honeycomb lattice. The competition between the chemical potential and staggered onsite potential leads to an interesting quantum phase diagram comprising the superfluid phase, Mott insulator, and charge density wave insulator. In this paper, we present a semiclassical perspective of this system by mapping to a spin-1/2 quantum XY model. We give an explicit analytical origin of the quantum phase diagram, the Berry curvatures, and the edge states using semiclassical approximations. We find very good agreement between the semiclassical analyses and the QMC results. Our results show that the topological properties of the hardcore-Bose-Hubbard model are the same as those of magnon in the corresponding quantum spin system. Our results are applicable to systems of ultracold bosonic atoms trapped in honeycomb optical lattices.

Final Environmental Impact Statement, Brooks City Base Project, Brooks Air Force Base, Texas

Science.gov (United States)

2001-03-01

Maitland Road and the east base boundary (Goliad Road). The CoSA Fire Department Training Academy may be included within this area. The Fire Department...replacement of the gas lines in the 1100s area (the area containing Facilities 1162 through 1193 bounded by Welch, Chennault, Hawks, and Maitland roads...3 Ian Smith, P.E., REM, Brooks City Base Program Office, 311 HSW/CDB M.S., 1990, Civil Engineering, University of Nebraska B.C.E., 1978, Civil

Bose-Hubbard lattice as a controllable environment for open quantum systems

Science.gov (United States)

Cosco, Francesco; Borrelli, Massimo; Mendoza-Arenas, Juan José; Plastina, Francesco; Jaksch, Dieter; Maniscalco, Sabrina

2018-04-01

We investigate the open dynamics of an atomic impurity embedded in a one-dimensional Bose-Hubbard lattice. We derive the reduced evolution equation for the impurity and show that the Bose-Hubbard lattice behaves as a tunable engineered environment allowing one to simulate both Markovian and non-Markovian dynamics in a controlled and experimentally realizable way. We demonstrate that the presence or absence of memory effects is a signature of the nature of the excitations induced by the impurity, being delocalized or localized in the two limiting cases of a superfluid and Mott insulator, respectively. Furthermore, our findings show how the excitations supported in the two phases can be characterized as information carriers.

A raptor study for the proposed Grandy Brook Station to Hope Brook Mine transmission line environmental impact statement

Energy Technology Data Exchange (ETDEWEB)

1986-01-01

The proposed Grandy Brook Station to Hope Brook mine transmission line study area occupies a remote area of south-central Newfoundland. Raptors have been identified as a valued ecosystem component which may be adversely affected. Since little information on population numbers and activities in the study area is available, a survey was conducted to determine raptor use of the proposed route to minimize adverse impacts of the development. Field data was the primary information source, although government officials were consulted for additional information and data files were accessed. Raptors were recorded by species and age class, and apparent activity. One field trip, composed of a ground survey and a helicopter survey, was conducted on July 12, 1986. Suggestions are made for mitigation measures related to such negative aspects as electrocution during construction and maintenance activities, harassment and persecution, collisions with the lines, and electric fields and corona.

Rationalization of the Hubbard U parameter in CeOx from first principles: Unveiling the role of local structure in screening

International Nuclear Information System (INIS)

Lu, Deyu; Liu, Ping

2014-01-01

The density functional theory (DFT)+U method has been widely employed in theoretical studies on various ceria systems to correct the delocalization bias in local and semi-local DFT functionals with moderate computational cost. We present a systematic and quantitative study, aiming to gain better understanding of the dependence of Hubbard U on the local atomic arrangement. To rationalize the Hubbard U of Ce 4f, we employed the first principles linear response method to compute Hubbard U for Ce in ceria clusters, bulks, and surfaces. We found that the Hubbard U varies in a wide range from 4.3 eV to 6.7 eV, and exhibits a strong correlation with the Ce coordination number and Ce–O bond lengths, rather than the Ce 4f valence state. The variation of the Hubbard U can be explained by the changes in the strength of local screening due to O → Ce intersite transitions

Quasiparticle band structure for the Hubbard systems: Application to α-CeAl2

International Nuclear Information System (INIS)

Costa-Quintana, J.; Lopez-Aguilar, F.; Balle, S.; Salvador, R.

1990-01-01

A self-energy formalism for determining the quasiparticle band structure of the Hubbard systems is deduced. The self-energy is obtained from the dynamically screened Coulomb interaction whose bare value is the correlation energy U. A method for integrating the Schroedingerlike equation with the self-energy operator is given. The method is applied to the cubic Laves phase of α-CeAl 2 because it is a clear Hubbard system with a very complex electronic structure and, moreover, this system provides us with sufficient experimental data for testing our method

One-dimensional extended Bose-Hubbard model with a confining potential: a DMRG analysis

Energy Technology Data Exchange (ETDEWEB)

Urba, Laura; Lundh, Emil; Rosengren, Anders [Condensed Matter Theory, Department of Theoretical Physics, KTH, AlbaNova University Center, SE-106 91 Stockholm (Sweden)

2006-12-28

The extended Bose-Hubbard model in a quadratic trap potential is studied using a finite-size density-matrix renormalization group method (DMRG). We compute the boson density profiles, the local compressibility and the hopping correlation functions. We observe the phase separation induced by the trap in all the quantities studied and conclude that the local density approximation is valid in the extended Bose-Hubbard model. From the plateaus obtained in the local compressibility it was possible to obtain the phase diagram of the homogeneous system which is in agreement with previous results.

On Hubbard-Stratonovich transformations over hyperbolic domains

International Nuclear Information System (INIS)

Fyodorov, Yan V

2005-01-01

We discuss and prove the validity of the Hubbard-Stratonovich (HS) identities over hyperbolic domains which are used frequently in studies on disordered systems and random matrices. We also introduce a counterpart of the HS identity arising in disordered systems with 'chiral' symmetry. Apart from this we outline a way of deriving the nonlinear σ-model from the gauge-invariant Wegner k-orbital model avoiding the use of the HS transformations

The Langevin method and Hubbard-like models

International Nuclear Information System (INIS)

Gross, M.; Hamber, H.

1989-01-01

The authors reexamine the difficulties associated with application of the Langevin method to numerical simulation of models with non-positive definite statistical weights, including the Hubbard model. They show how to avoid the violent crossing of the zeroes of the weight and how to move those nodes away from the real axis. However, it still appears necessary to keep track of the sign (or phase) of the weight

Finite-temperature dynamics of the Mott insulating Hubbard chain

Science.gov (United States)

Nocera, Alberto; Essler, Fabian H. L.; Feiguin, Adrian E.

2018-01-01

We study the dynamical response of the half-filled one-dimensional Hubbard model for a range of interaction strengths U and temperatures T by a combination of numerical and analytical techniques. Using time-dependent density matrix renormalization group computations we find that the single-particle spectral function undergoes a crossover to a spin-incoherent Luttinger liquid regime at temperatures T ˜J =4 t2/U for sufficiently large U >4 t . At smaller values of U and elevated temperatures the spectral function is found to exhibit two thermally broadened bands of excitations, reminiscent of what is found in the Hubbard-I approximation. The dynamical density-density response function is shown to exhibit a finite-temperature resonance at low frequencies inside the Mott gap, with a physical origin similar to the Villain mode in gapped quantum spin chains. We complement our numerical computations by developing an analytic strong-coupling approach to the low-temperature dynamics in the spin-incoherent regime.

Stripe order from the perspective of the Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Devereaux, Thomas Peter

2018-03-01

A microscopic understanding of the strongly correlated physics of the cuprates must account for the translational and rotational symmetry breaking that is present across all cuprate families, commonly in the form of stripes. Here we investigate emergence of stripes in the Hubbard model, a minimal model believed to be relevant to the cuprate superconductors, using determinant quantum Monte Carlo (DQMC) simulations at finite temperatures and density matrix renormalization group (DMRG) ground state calculations. By varying temperature, doping, and model parameters, we characterize the extent of stripes throughout the phase diagram of the Hubbard model. Our results show that including the often neglected next-nearest-neighbor hopping leads to the absence of spin incommensurability upon electron-doping and nearly half-filled stripes upon hole-doping. The similarities of these findings to experimental results on both electron and hole-doped cuprate families support a unified description across a large portion of the cuprate phase diagram.

Depletion of the heaviest stable N isotope is associated with NH4+/NH3 toxicity in NH4+-fed plants.

Science.gov (United States)

Ariz, Idoia; Cruz, Cristina; Moran, Jose F; González-Moro, María B; García-Olaverri, Carmen; González-Murua, Carmen; Martins-Loução, Maria A; Aparicio-Tejo, Pedro M

2011-05-16

In plants, nitrate (NO3-) nutrition gives rise to a natural N isotopic signature (δ15N), which correlates with the δ15N of the N source. However, little is known about the relationship between the δ15N of the N source and the 14N/15N fractionation in plants under ammonium (NH4+) nutrition. When NH4+ is the major N source, the two forms, NH4+ and NH3, are present in the nutrient solution. There is a 1.025 thermodynamic isotope effect between NH3 (g) and NH4+ (aq) which drives to a different δ15N. Nine plant species with different NH4+-sensitivities were cultured hydroponically with NO3- or NH4+ as the sole N sources, and plant growth and δ15N were determined. Short-term NH4+/NH3 uptake experiments at pH 6.0 and 9.0 (which favours NH3 form) were carried out in order to support and substantiate our hypothesis. N source fractionation throughout the whole plant was interpreted on the basis of the relative transport of NH4+ and NH3. Several NO3--fed plants were consistently enriched in 15N, whereas plants under NH4+ nutrition were depleted of 15N. It was shown that more sensitive plants to NH4+ toxicity were the most depleted in 15N. In parallel, N-deficient pea and spinach plants fed with 15NH4+ showed an increased level of NH3 uptake at alkaline pH that was related to the 15N depletion of the plant. Tolerant to NH4+ pea plants or sensitive spinach plants showed similar trend on 15N depletion while slight differences in the time kinetics were observed during the initial stages. The use of RbNO3 as control discarded that the differences observed arise from pH detrimental effects. This article proposes that the negative values of δ15N in NH4+-fed plants are originated from NH3 uptake by plants. Moreover, this depletion of the heavier N isotope is proportional to the NH4+/NH3 toxicity in plants species. Therefore, we hypothesise that the low affinity transport system for NH4+ may have two components: one that transports N in the molecular form and is associated with

Depletion of the heaviest stable N isotope is associated with NH4+/NH3 toxicity in NH4+-fed plants

Science.gov (United States)

2011-01-01

Background In plants, nitrate (NO3-) nutrition gives rise to a natural N isotopic signature (δ15N), which correlates with the δ15N of the N source. However, little is known about the relationship between the δ15N of the N source and the 14N/15N fractionation in plants under ammonium (NH4+) nutrition. When NH4+ is the major N source, the two forms, NH4+ and NH3, are present in the nutrient solution. There is a 1.025 thermodynamic isotope effect between NH3 (g) and NH4+ (aq) which drives to a different δ15N. Nine plant species with different NH4+-sensitivities were cultured hydroponically with NO3- or NH4+ as the sole N sources, and plant growth and δ15N were determined. Short-term NH4+/NH3 uptake experiments at pH 6.0 and 9.0 (which favours NH3 form) were carried out in order to support and substantiate our hypothesis. N source fractionation throughout the whole plant was interpreted on the basis of the relative transport of NH4+ and NH3. Results Several NO3--fed plants were consistently enriched in 15N, whereas plants under NH4+ nutrition were depleted of 15N. It was shown that more sensitive plants to NH4+ toxicity were the most depleted in 15N. In parallel, N-deficient pea and spinach plants fed with 15NH4+ showed an increased level of NH3 uptake at alkaline pH that was related to the 15N depletion of the plant. Tolerant to NH4+ pea plants or sensitive spinach plants showed similar trend on 15N depletion while slight differences in the time kinetics were observed during the initial stages. The use of RbNO3 as control discarded that the differences observed arise from pH detrimental effects. Conclusions This article proposes that the negative values of δ15N in NH4+-fed plants are originated from NH3 uptake by plants. Moreover, this depletion of the heavier N isotope is proportional to the NH4+/NH3 toxicity in plants species. Therefore, we hypothesise that the low affinity transport system for NH4+ may have two components: one that transports N in the

A Riemann-Hilbert formulation for the finite temperature Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Cavaglià, Andrea [Dipartimento di Fisica and INFN, Università di Torino,Via P. Giuria 1, 10125 Torino (Italy); Cornagliotto, Martina [Dipartimento di Fisica and INFN, Università di Torino,Via P. Giuria 1, 10125 Torino (Italy); DESY Hamburg, Theory Group,Notkestrasse 85, D-22607 Hamburg (Germany); Mattelliano, Massimo; Tateo, Roberto [Dipartimento di Fisica and INFN, Università di Torino,Via P. Giuria 1, 10125 Torino (Italy)

2015-06-03

Inspired by recent results in the context of AdS/CFT integrability, we reconsider the Thermodynamic Bethe Ansatz equations describing the 1D fermionic Hubbard model at finite temperature. We prove that the infinite set of TBA equations are equivalent to a simple nonlinear Riemann-Hilbert problem for a finite number of unknown functions. The latter can be transformed into a set of three coupled nonlinear integral equations defined over a finite support, which can be easily solved numerically. We discuss the emergence of an exact Bethe Ansatz and the link between the TBA approach and the results by Jüttner, Klümper and Suzuki based on the Quantum Transfer Matrix method. We also comment on the analytic continuation mechanism leading to excited states and on the mirror equations describing the finite-size Hubbard model with twisted boundary conditions.

Brook trout passage performance through culverts

Science.gov (United States)

Goerig, Elsa; Castro-Santos, Theodore R.; Bergeron, Normand

2016-01-01

Culverts can restrict access to habitat for stream-dwelling fishes. We used passive integrated transponder telemetry to quantify passage performance of >1000 wild brook trout (Salvelinus fontinalis) attempting to pass 13 culverts in Quebec under a range of hydraulic and environmental conditions. Several variables influenced passage success, including complex interactions between physiology and behavior, hydraulics, and structural characteristics. The probability of successful passage was greater through corrugated metal culverts than through smooth ones, particularly among smaller fish. Trout were also more likely to pass at warmer temperatures, but this effect diminished above 15 °C. Passage was impeded at higher flows, through culverts with steep slopes, and those with deep downstream pools. This study provides insight on factors influencing brook trout capacity to pass culverts as well as a model to estimate passage success under various conditions, with an improved resolution and accuracy over existing approaches. It also presents methods that could be used to investigate passage success of other species, with implications for connectivity of the riverscape.

VT Foote Brook Natural Channel Design Restoration 2003

Data.gov (United States)

Vermont Center for Geographic Information — (Link to Metadata) The Foote Brook, located in Johnson, Vermont, is known to biologists and anglers as a high quality stream with significant natural reproduction of...

Depletion of the heaviest stable N isotope is associated with NH4+/NH3 toxicity in NH4+-fed plants

Directory of Open Access Journals (Sweden)

Martins-Loução Maria A

2011-05-01

Full Text Available Abstract Background In plants, nitrate (NO3- nutrition gives rise to a natural N isotopic signature (δ15N, which correlates with the δ15N of the N source. However, little is known about the relationship between the δ15N of the N source and the 14N/15N fractionation in plants under ammonium (NH4+ nutrition. When NH4+ is the major N source, the two forms, NH4+ and NH3, are present in the nutrient solution. There is a 1.025 thermodynamic isotope effect between NH3 (g and NH4+ (aq which drives to a different δ15N. Nine plant species with different NH4+-sensitivities were cultured hydroponically with NO3- or NH4+ as the sole N sources, and plant growth and δ15N were determined. Short-term NH4+/NH3 uptake experiments at pH 6.0 and 9.0 (which favours NH3 form were carried out in order to support and substantiate our hypothesis. N source fractionation throughout the whole plant was interpreted on the basis of the relative transport of NH4+ and NH3. Results Several NO3--fed plants were consistently enriched in 15N, whereas plants under NH4+ nutrition were depleted of 15N. It was shown that more sensitive plants to NH4+ toxicity were the most depleted in 15N. In parallel, N-deficient pea and spinach plants fed with 15NH4+ showed an increased level of NH3 uptake at alkaline pH that was related to the 15N depletion of the plant. Tolerant to NH4+ pea plants or sensitive spinach plants showed similar trend on 15N depletion while slight differences in the time kinetics were observed during the initial stages. The use of RbNO3 as control discarded that the differences observed arise from pH detrimental effects. Conclusions This article proposes that the negative values of δ15N in NH4+-fed plants are originated from NH3 uptake by plants. Moreover, this depletion of the heavier N isotope is proportional to the NH4+/NH3 toxicity in plants species. Therefore, we hypothesise that the low affinity transport system for NH4+ may have two components: one that

Competition and predation as mechanisms for displacement of greenback cutthroat trout by brook trout

Science.gov (United States)

C. C. McGrath; W. M. Lewis

2007-01-01

Cutthroat trout Oncorhynchus clarkii frequently are displaced by nonnative brook trout Salvelinus fontinalis, but the ecological mechanisms of displacement are not understood. Competition for food and predation between greenback cutthroat trout O. c. stomias and brook trout were investigated in montane streams of...

The Brooks Act, Is it Relevant Today?

Science.gov (United States)

1994-06-01

Publishing Company, 1990. 7. Fla=., Kenneth. Creatina The ComDuter. Washington, D.C.: The Brookings Institution, 1988. 8. Gilchrist, Bruce, & Wessel...Milton R. Reaulation of the Computer Industry. Montvale: AFIPS Press, 1972. 9. Gore, Al. Creatina A Government That Works Better & Cost Less: Renort

Brook trout movement during and after recolonization of a naturally defaunated stream reach

Science.gov (United States)

Craig N. Roghair; C. Andrew Dolloff

2005-01-01

In june 1995 a debris flow associated with a massive streamwide flood completely eliminated brook trout Salvelinus fontinalis from the lower 1.9 km of the Staunton River in Shenandoah National Park, Virginia. Biannual diver counts revealed that brook trout moved several hundred meters into the debris-flow-affected area each year, resulting in...

Brook Trout Distribution, Pacific Northwest (updated March, 2006)

Data.gov (United States)

Pacific States Marine Fisheries Commission — This dataset is a record of fish distribution and activity for BROOK TROUT contained in the StreamNet database. This feature class was created based on linear event...

Methodes d'amas quantiques a temperature finie appliquees au modele de Hubbard

Science.gov (United States)

Plouffe, Dany

Depuis leur decouverte dans les annees 80, les supraconducteurs a haute temperature critique ont suscite beaucoup d'interet en physique du solide. Comprendre l'origine des phases observees dans ces materiaux, telle la supraconductivite, est l'un des grands defis de la physique theorique du solide des 25 dernieres annees. L'un des mecanismes pressentis pour expliquer ces phenomenes est la forte interaction electron-electron. Le modele de Hubbard est l'un des modeles les plus simples pour tenir compte de ces interactions. Malgre la simplicite apparente de ce modele, certaines de ses caracteristiques, dont son diagramme de phase, ne sont toujours pas bien etablies, et ce malgre plusieurs avancements theoriques dans les dernieres annees. Cette etude se consacre a faire une analyse de methodes numeriques permettant de calculer diverses proprietes du modele de Hubbard en fonction de la temperature. Nous decrivons des methodes (la VCA et la CPT) qui permettent de calculer approximativement la fonction de Green a temperature finie sur un systeme infini a partir de la fonction de Green calculee sur un amas de taille finie. Pour calculer ces fonctions de Green, nous allons utiliser des methodes permettant de reduire considerablement les efforts numeriques necessaires pour les calculs des moyennes thermodynamiques, en reduisant considerablement l'espace des etats a considerer dans ces moyennes. Bien que cette etude vise d'abord a developper des methodes d'amas pour resoudre le modele de Hubbard a temperature finie de facon generale ainsi qu'a etudier les proprietes de base de ce modele, nous allons l'appliquer a des conditions qui s'approchent de supraconducteurs a haute temperature critique. Les methodes presentees dans cette etude permettent de tracer un diagramme de phase pour l'antiferromagnetisme et la supraconductivite qui presentent plusieurs similarites avec celui des supraconducteurs a haute temperature. Mots-cles : modele de Hubbard, thermodynamique

Formation of simple nitrogen hydrides NH and NH2 at cryogenic temperatures through N + NH3→ NH + NH2 reaction: dark cloud chemistry of nitrogen.

Science.gov (United States)

Nourry, Sendres; Krim, Lahouari

2016-07-21

Although NH3 molecules interacting with ground state nitrogen atoms N((4)S) seem not to be a very reactive system without providing additional energy to initiate the chemical process, we show through this study that, in the solid phase, at very low temperature, NH3 + N((4)S) reaction leads to the formation of the amidogen radical NH2. Such a dissociation reaction previously thought to occur exclusively through UV photon or energetic particle irradiation is in this work readily occurring just by stimulating the mobility of N((4)S)-atoms in the 3-10 K temperature range in the solid sample. The N((4)S)-N((4)S) recombination may be the source of metastable molecular nitrogen N2(A), a reactive species which might trigger the NH3 dissociation or react with ground state nitrogen atoms N((4)S) to form excited nitrogen atoms N((4)P/(2)D) through energy transfer processes. Based on our obtained results, it is possible to propose reaction pathways to explain the NH2 radical formation which is the first step in the activation of stable species such as NH3, a chemical induction process that, in addition to playing an important role in the origin of molecular complexity in interstellar space, is known to require external energy supplies to occur in the gas phase.

The role of groundwater in the effect of climatic warming on stream habitat of brook trout

International Nuclear Information System (INIS)

Meisner, J.D.

1990-01-01

Freshwater fisheries are linked to climate through the variables of water temperature, water quality and water quantity. These three ecosystem linkages provide a basis for assessments of potential impacts of climate change on fisheries resources. A characteristic of fisheries resources, whether it be the size or distribution of fish populations, or a measure of yield, which can be related to climate through one or more of these linkages, is a useful tool with which to forecast the effects of climate change. A stream population of brook trout is a coldwater fisheries resource that is linked to climate by groundwater. Stream dwelling brook trout at low altitudes rely heavily on groundwater discharge in summer to maintain low stream temperature. Groundwater temperature tracks mean annual air temperature due to the insulative effect of the lower troposphere on the surface of the earth. The effect of elevated groundwater temperature on the stream habitat of brook trout was investigated in two brook trout streams north of Toronto, Ontario, with an energy balance stream temperature model, calibrated to both streams to simulate maximum water temperature observed in the brook trout zones. Simulated maximum summer temperatures from the Goddard Institute for Space Studies scenario reduced the brook trout zones by up to 42%. 17 refs., 2 figs

Effective electron-electron and electron-phonon interactions in the Hubbard-Holstein model

International Nuclear Information System (INIS)

Aprea, G.; Di Castro, C.; Grilli, M. . E-mail marco.grilli@roma1.infn.it; Lorenzana, J.

2006-01-01

We investigate the interplay between the electron-electron and the electron-phonon interaction in the Hubbard-Holstein model. We implement the flow-equation method to investigate within this model the effect of correlation on the electron-phonon effective coupling and, conversely, the effect of phonons in the effective electron-electron interaction. Using this technique we obtain analytical momentum-dependent expressions for the effective couplings and we study their behavior for different physical regimes. In agreement with other works on this subject, we find that the electron-electron attraction mediated by phonons in the presence of Hubbard repulsion is peaked at low transferred momenta. The role of the characteristic energies involved is also analyzed

Evolution of the low-energy excitation spectrum from the pure Hubbard ladder to the SO(5) ladder: A numerical study

International Nuclear Information System (INIS)

Duffy, D.; Haas, S.; Kim, E.

1998-01-01

The Hubbard Hamiltonian on a two-leg ladder is studied numerically using quantum Monte Carlo and exact diagonalization techniques. A rung interaction, V, is turned on such that the resulting model has an exact SO(5) symmetry when V=-U. The evolution of the low-energy excitation spectrum is presented from the pure Hubbard ladder to the SO(5) ladder. It is shown that the low-energy excitations in the pure Hubbard ladder have an approximate SO(5) symmetry. copyright 1998 The American Physical Society

Shale Gas Development and Brook Trout: Scaling Best Management Practices to Anticipate Cumulative Effects

Science.gov (United States)

Smith, David; Snyder, Craig D.; Hitt, Nathaniel P.; Young, John A.; Faulkner, Stephen P.

2012-01-01

Shale gas development may involve trade-offs between energy development and benefits provided by natural ecosystems. However, current best management practices (BMPs) focus on mitigating localized ecological degradation. We review evidence for cumulative effects of natural gas development on brook trout (Salvelinus fontinalis) and conclude that BMPs should account for potential watershed-scale effects in addition to localized influences. The challenge is to develop BMPs in the face of uncertainty in the predicted response of brook trout to landscape-scale disturbance caused by gas extraction. We propose a decision-analysis approach to formulating BMPs in the specific case of relatively undisturbed watersheds where there is consensus to maintain brook trout populations during gas development. The decision analysis was informed by existing empirical models that describe brook trout occupancy responses to landscape disturbance and set bounds on the uncertainty in the predicted responses to shale gas development. The decision analysis showed that a high efficiency of gas development (e.g., 1 well pad per square mile and 7 acres per pad) was critical to achieving a win-win solution characterized by maintaining brook trout and maximizing extraction of available gas. This finding was invariant to uncertainty in predicted response of brook trout to watershed-level disturbance. However, as the efficiency of gas development decreased, the optimal BMP depended on the predicted response, and there was considerable potential value in discriminating among predictive models through adaptive management or research. The proposed decision-analysis framework provides an opportunity to anticipate the cumulative effects of shale gas development, account for uncertainty, and inform management decisions at the appropriate spatial scales.

William Keith Brooks and the naturalist's defense of Darwinism in the late-nineteenth century.

Science.gov (United States)

Nash, Richard

2015-06-01

William Keith Brooks was an American zoologist at Johns Hopkins University from 1876 until his death in 1908. Over the course of his career, Brooks staunchly defended Darwinism, arguing for the centrality of natural selection in evolutionary theory at a time when alternative theories, such as neo-Lamarckism, grew prominent in American biology. In his book The Law of Heredity (1883), Brooks addressed problems raised by Darwin's theory of pangenesis. In modifying and developing Darwin's pangenesis, Brooks proposed a new theory of heredity that sought to avoid the pitfalls of Darwin's hypothesis. In so doing he strengthened Darwin's theory of natural selection by undermining arguments for the inheritance of acquired characteristics. In later attacks on neo-Lamarckism, Brooks consistently defended Darwin's theory of natural selection on logical grounds, continued to challenge the idea of the inheritance of acquired characteristics, and argued that natural selection best explained a wide range of adaptations. Finally, he critiqued Galton's statistical view of heredity and argued that Galton had resurrected an outmoded typological concept of species, one which Darwin and other naturalists had shown to be incorrect. Brooks's ideas resemble the "biological species concept" of the twentieth century, as developed by evolutionary biologist Ernst Mayr and others. The late-nineteenth century was not a period of total "eclipse" of Darwinism, as biologists and historians have hitherto seen it. Although the "Modern Synthesis" refers to the reconciliation of post-Mendelian genetics with evolution by natural selection, we might adjust our understanding of how the synthesis developed by seeing it as the culmination of a longer discussion that extends back to the late-nineteenth century.

Study of the two-dimensional Hubbard model at half-filling through constructive methods

International Nuclear Information System (INIS)

Afchain, St.

2005-02-01

The Hubbard model is the simplest model to describe the behaviour of fermions on a network, it takes into account only fermion scattering and only interactions with other fermions located on the same site. Half-filling means that the total number of fermions is equal to half the number of sites. In the first chapter we show how we can pass trough successive approximations from a very general Hamiltonian to the Hubbard Hamiltonian. The second chapter is dedicated to the passage from the Hamiltonian formalism to the Grassmanian functional formalism. The main idea is to show that the correlation functions of the Hamiltonian approach can be described through fermionic functional integrals which implies the possibility of speaking of the model in terms of field theory. The chapter 3 deals with the main constructive techniques that allow the strict and consistent construction of models inside the frame of field theory. We show by proving the violation of a condition concerning self-energy, that the two-dimensional Hubbard model at half-filling has not the behaviour of a Fermi liquid in the Landau's interpretation. (A.C.)

Rationalization of the Hubbard U parameter in CeO{sub x} from first principles: Unveiling the role of local structure in screening

Energy Technology Data Exchange (ETDEWEB)

Lu, Deyu, E-mail: dlu@bnl.gov, E-mail: pingliu3@bnl.gov; Liu, Ping, E-mail: dlu@bnl.gov, E-mail: pingliu3@bnl.gov [Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973 (United States)

2014-02-28

The density functional theory (DFT)+U method has been widely employed in theoretical studies on various ceria systems to correct the delocalization bias in local and semi-local DFT functionals with moderate computational cost. We present a systematic and quantitative study, aiming to gain better understanding of the dependence of Hubbard U on the local atomic arrangement. To rationalize the Hubbard U of Ce 4f, we employed the first principles linear response method to compute Hubbard U for Ce in ceria clusters, bulks, and surfaces. We found that the Hubbard U varies in a wide range from 4.3 eV to 6.7 eV, and exhibits a strong correlation with the Ce coordination number and Ce–O bond lengths, rather than the Ce 4f valence state. The variation of the Hubbard U can be explained by the changes in the strength of local screening due to O → Ce intersite transitions.

Does the introduced brook trout ( Salvelinus fontinalis) affect growth of the native brown trout ( Salmo trutta)?

Science.gov (United States)

Korsu, Kai; Huusko, Ari; Muotka, Timo

2009-03-01

Non-native brook trout have become widely established in North European streams. We combined evidence from an artificial-stream experiment and drainage-scale field surveys to examine whether brook trout suppressed the growth of the native brown trout (age 0 to age 2). Our experimental results demonstrated that brown trout were unaffected by the presence of brook trout but that brook trout showed reduced growth in the presence of brown trout. However, the growth reduction only appeared in the experimental setting, indicating that the reduced spatial constraint of the experimental system may have forced the fish to unnaturally intense interactions. Indeed, in the field, no effect of either species on the growth of the putative competitor was detected. These results caution against uncritical acceptance of findings from small-scale experiments because they rarely scale up to more complex field situations. This and earlier work suggest that the establishment of brook trout in North European streams has taken place mainly because of the availability of unoccupied (or underutilized) niche space, rather than as a result of species trait combinations or interspecific competition per se.

Swimming behaviour and ascent paths of brook trout in a corrugated culvert

Science.gov (United States)

Goerig, Elsa; Bergeron, Normand E.; Castro-Santos, Theodore R.

2017-01-01

Culverts may restrict fish movements under some hydraulic conditions such as shallow flow depths or high velocities. Although swimming capacity imposes limits to passage performance, behaviour also plays an important role in the ability of fish to overcome velocity barriers. Corrugated metal culverts are characterized by unsteady flow and existence of low‐velocity zones, which can improve passage success. Here, we describe swimming behaviour and ascent paths of 148 wild brook trout in a 1.5‐m section of a corrugated metal culvert located in Raquette Stream, Québec, Canada. Five passage trials were conducted in mid‐August, corresponding to specific mean cross‐sectional flow velocities ranging from 0.30 to 0.63 m/s. Fish were individually introduced to the culvert and their movements recorded with a camera located above the water. Lateral and longitudinal positions were recorded at a rate of 3 Hz in order to identify ascent paths. These positions were related to the distribution of flow depths and velocities in the culvert. Brook trout selected flow velocities from 0.2 to 0.5 m/s during their ascents, which corresponded to the available flow velocities in the culvert at the low‐flow conditions. This however resulted in the use of low‐velocity zones at higher flows, mainly located along the walls of the culvert. Some fish also used the corrugations for sheltering, although the behaviour was marginal and did not occur at the highest flow condition. This study improves knowledge on fish behaviour during culvert ascents, which is an important aspect for developing reliable and accurate estimates of fish passage ability.

Magnetic excitation spectra of strongly correlated quasi-one-dimensional systems: Heisenberg versus Hubbard-like behavior

Science.gov (United States)

Nocera, A.; Patel, N. D.; Fernandez-Baca, J.; Dagotto, E.; Alvarez, G.

2016-11-01

We study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one-dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum—with low-energy peaks resembling spinonic excitations—already at intermediate on-site repulsion as small as U /t ˜2 -3 , although ratios of peak intensities at different momenta continue evolving with increasing U /t converging only slowly to the Heisenberg limit. We discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of U /t of quasi-one-dimensional systems described by one-orbital Hubbard models from experimental information.

Ground state phase diagram of extended attractive Hubbard model

International Nuclear Information System (INIS)

Robaszkiewicz, S.; Chao, K.A.; Micnas, R.

1980-08-01

The ground state phase diagram of the extended Hubbard model with intraatomic attraction has been derived in the Hartree-Fock approximation formulated in terms of the Bogoliubov variational approach. For a given value of electron density, the nature of the ordered ground state depends essentially on the sign and the strength of the nearest neighbor coupling. (author)

Universal quantum computation by scattering in the Fermi–Hubbard model

International Nuclear Information System (INIS)

Bao, Ning; Hayden, Patrick; Salton, Grant; Thomas, Nathaniel

2015-01-01

The Hubbard model may be the simplest model of particles interacting on a lattice, but simulation of its dynamics remains beyond the reach of current numerical methods. In this article, we show that general quantum computations can be encoded into the physics of wave packets propagating through a planar graph, with scattering interactions governed by the fermionic Hubbard model. Therefore, simulating the model on planar graphs is as hard as simulating quantum computation. We give two different arguments, demonstrating that the simulation is difficult both for wave packets prepared as excitations of the fermionic vacuum, and for hole wave packets at filling fraction one-half in the limit of strong coupling. In the latter case, which is described by the t-J model, there is only reflection and no transmission in the scattering events, as would be the case for classical hard spheres. In that sense, the construction provides a quantum mechanical analog of the Fredkin–Toffoli billiard ball computer. (paper)

Calcium amendment may increase hydraulic efficiency and forest evapotranspiration

Science.gov (United States)

Kevin T. Smith; Walter C. Shortle

2013-01-01

Green et al. (1) report 2 y of increased evapotranspiration (ET; calculated as the difference between total precipitation and total runoff) and decreased water yield following watershed-scale amendment of soil with wollastonite (CaSiO3) at the Hubbard Brook Experimental Forest in the White Mountains of New Hampshire. The...

Correlation mediated superconductivity in a Spin Peierls Phase of the Hubbard Model

International Nuclear Information System (INIS)

Long, M.W.

1987-08-01

The author explores the consequences of a mapping of the Hubbard Hamiltonian with a view to finding possible superconducting phases. The transformation pairs up all the sites and is therefore a much more natural starting point for describing a 'Spin Peierls' transition, generating enhanced singlet correlations for this pairing, than it is for describing the 'Resonating Valence Bond' state. It is shown that in the less than half filling case, an effective non-linear hopping Hamiltonian is quite useful in describing half of the electrons. This effective Hamiltonian can show a form of superconducting instability when nearest neighbour hopping is introduced to stabilise it. This superconducting phase seems to be a very unlikely possibility for the standard Hubbard model. (author)

Exact results and conjectures on the adiabatic Holstein-Hubbard model at large electron-phonon coupling

International Nuclear Information System (INIS)

Aubry, S.

1993-01-01

Principles and notations of the Holstein-Hubbard model in a magnetic field are first reviewed. Effects of the dimensionality, the lattice discreteness and the magnetic field on single polarons, are examined and the existence of many polarons and bipolarons structures at large electron-phonon coupling is discussed. Properties of bipolaronic and polaronic structures are examined together with the magnetic field effects on these structures. High Tc superconductivity resulting from the competition between the electron-phonon and Hubbard couplings is discussed. 7 figs., 18 refs

Independent Confirmatory Survey Summary and Results for the Plum Brook Reactor Facility Sandusky OH

International Nuclear Information System (INIS)

Bailey, E.N.

2008-01-01

In 1941, the War Department acquired approximately 9,000 acres of land near Sandusky, Ohio and constructed a munitions plant. The Plum Brook Ordnance Works Plant produced munitions, such as TNT, until the end of World War II. Following the war, the land remained idle until the National Advisory Committee for Aeronautics (later known as the National Aeronautics and Space Administration or NASA) obtained 500 acres to construct a nuclear research reactor designed to study the effects of radiation on materials used in space flight. The research reactor was put into operation in 1961 and was the first of fifteen test facilities eventually built by NASA at the Plum Brook Station. By 1963, NASA had acquired the remaining land at Plum Brook for these additional test facilities. After successfully completing the objective of landing humans on the Moon and returning them safely to Earth, NASA was faced with budget reductions from Congress in 1973. These budgetary constraints caused NASA to cease operations at several research facilities across the country, including those at Plum Brook Station. The major test facilities at Plum Brook were maintained in a standby mode, capable of being reactivated for future use. The Plum Brook Reactor Facility (PBRF) was shut down January 5, 1973 and all of the nuclear fuel was eventually removed and shipped off site to a U.S. Department of Energy facility in Idaho for disposal or reuse. Decommissioning activities are currently underway at the PBRF (NASA 1999). The objectives of the confirmatory survey activities were to provide independent contractor field data reviews and to generate independent radiological data for use by the Nuclear Regulatory Commission (NRC) in evaluating the adequacy and accuracy of the licensee's procedures and final status survey (FSS) results

VT Foote Brook Natural Channel Design Restoration 2001-2002

Data.gov (United States)

Vermont Center for Geographic Information — (Link to Metadata) The Foote Brook, located in Johnson, Vermont, is known to biologists and anglers as a high quality stream with significant natural reproduction of...

Different transport behaviors of NH4 (+) and NH3 in transmembrane cyclic peptide nanotubes.

Science.gov (United States)

Zhang, Mingming; Fan, Jianfen; Xu, Jian; Weng, Peipei; Lin, Huifang

2016-10-01

Two water-filled transmembrane cyclic peptide nanotubes (CPNTs) of 8×cyclo-(WL)n=4,5/POPE were chosen to investigate the dependences of the transport properties of the positive NH4 (+) and neutral NH3 on the channel radius. Molecular dynamic simulations revealed that molecular charge, size, ability to form H-bonds and channel radius all significantly influence the behaviors of NH4 (+) and NH3 in a CPNT. Higher electrostatic interactions, more H-bonds, and water-bridges were found in the NH4 (+) system, resulting in NH4 (+) meeting higher energy barriers, while NH3 can enter, exit and permeate the channels effortlessly. This work sheds a first light on the differences between the mechanisms of NH4 (+) and NH3 moving in a CPNT at an atomic level. Graphical Abstract Snapshot of the simulation system of NH4 (+)_octa-CPNT with an NH4 (+) initially positioned at one mouth of the tube, PMF profiles for single NH4 (+) ion and NH3 molecule moving through water-filled transmembrane CPNTs of 8×cyclo-(WL)n=4,5/POPE and sketch graphs of the possible H-bond forms of NH3 and NH4 (+) with the neighboring water.

Restoration of brook valley meadows in the Netherlands

NARCIS (Netherlands)

Grootjans, A.P.; Bakker, J.P.; Jansen, A.J.M.; Kemmers, R.H.

2002-01-01

Until recently, restoration measures in Dutch brook valley meadows consisted of re-introducing traditional management techniques, such as mowing without fertilisation and low-intensity grazing. In the Netherlands, additional measures, such as rewetting and sod cutting, are now carried out on a large

Global climate change and fragmentation of native brook trout distribution in the southern Appalachian Mountains

Science.gov (United States)

Patricia A. Flebbe

1997-01-01

Current distributions of native brook trout (Salvelinus fontinalis) in the Southern Appalachians are restricted to upper elevations by multiple factors, including habitat requirements, introduced rainbow (Oncorhynchus mykiss) and brown (Salmo trutta) trout, and other human activities. Present-day distribution of brook trout habitat is already fragmented. Increased...

Single-particle properties of the Hubbard model in a novel three-pole approximation

Science.gov (United States)

Di Ciolo, Andrea; Avella, Adolfo

2018-05-01

We study the 2D Hubbard model using the Composite Operator Method within a novel three-pole approximation. Motivated by the long-standing experimental puzzle of the single-particle properties of the underdoped cuprates, we include in the operatorial basis, together with the usual Hubbard operators, a field describing the electronic transitions dressed by the nearest-neighbor spin fluctuations, which play a crucial role in the unconventional behavior of the Fermi surface and of the electronic dispersion. Then, we adopt this approximation to study the single-particle properties in the strong coupling regime and find an unexpected behavior of the van Hove singularity that can be seen as a precursor of a pseudogap regime.

Spectral properties of an extended Hubbard ladder with long range anti-ferromagnetic order

Science.gov (United States)

Yang, Chun; Feiguin, Adrian

We study the spectral properties of a Hubbard ladder with anti-ferromagnetic long range order by introducing a staggered Heisenberg interaction that decays algebraically. Unlike an alternating field or the t -Jz model, our problem preserves both SU (2) and translational invariance. We solve the problem with the time-dependent density matrix renormalization group and analyze the binding between holons and spinons and the structure of the elementary excitations. We discuss the implications in the context of the 2D Hubbard model at, and away from half-filling by using cluster perturbation theory (CPT). AF acknowledges the U.S. Department of Energy, Office of Basic Energy Sciences, for support under Grant DE-SC0014407.

Hydrologic regimes of forested, mountainous, headwater basins in New Hampshire, North Carolina, Oregon, and Puerto Rico

Science.gov (United States)

David A. Post; Julia A. Jones

2001-01-01

This study characterized the hydrologic regimes at four forested, mountainous long-term ecological research (LTER) sites: H.J. Andrews (Oregon), Coweeta (North Carolina), Hubbard Brook (New Hampshire), and Luquillo (Puerto Rico). Over 600 basinyears of daily streadow records were examined from 18 basins that have not experienced human disturbances since at least the...

Reply to Smith and Shortle: Lacking evidence of hydraulic efficiency changes

Science.gov (United States)

Mark B. Green; Amey S. Bailey; Scott W. Bailey; John J. Battles; John L. Campbell; Charles T. Driscoll; Timothy J. Fahey; Lucie C. Lepine; Gene E. Likens; Scott V. Ollinger; Paul G. Schaberg

2013-01-01

After calcium silicate amendment to an entire watershed at the Hubbard Brook Experimental Forest, evapotranspiration (ET) increased by ~20% for 2 y, broadly attributed to a fertilization of tree physiology (1). We suggested that the increase in ET most likely arose from enhanced transpiration due to increased stomatal conductance (gs) associated with increased...

Penggunaan zeolit alam untuk mengurangi kandungan krom dan nh4+ dalam air limbah penyamakan kulit

Directory of Open Access Journals (Sweden)

Supraptiningsih Supraptiningsih

2006-07-01

Full Text Available Leather tanning waste water contains chemical compounds, such as chromium and NH4+ in high concentration, so if they are thrown away without treatment they will make some problems. The aims of this research is to adsorb the cations in leather tanning waste water i.e chromium and NH4+ used natural zeolite as an adsorbent. Research was done by comparing amount of chromium and NH4+ in effluent waste water treatment unit with amount of chromium and NH4+ after being adsorbed by zeolite in a batch system. The result of this research showed that efficiency difference between using zeolite and waste water treatment unit was significant. The optimal condition to reduce chromium and NH4+ was by using 300 grams per liter waste, zeolite particle size was 50-60 mesh, contact time was 24 hours and pH 8±0,1. In this condition, zeolites could reduce chromium from 3728,56mg/l to 365,39 mg/l or 90,20%, and NH4+ from 3040,02 mg/l menjadi 209,76 mg/l or 93,10%. Waste water treatment unit could reduce chromium 63,55% and NH4+ 56,75%.

Dynamical Vertex Approximation for the Hubbard Model

Science.gov (United States)

Toschi, Alessandro

A full understanding of correlated electron systems in the physically relevant situations of three and two dimensions represents a challenge for the contemporary condensed matter theory. However, in the last years considerable progress has been achieved by means of increasingly more powerful quantum many-body algorithms, applied to the basic model for correlated electrons, the Hubbard Hamiltonian. Here, I will review the physics emerging from studies performed with the dynamical vertex approximation, which includes diagrammatic corrections to the local description of the dynamical mean field theory (DMFT). In particular, I will first discuss the phase diagram in three dimensions with a special focus on the commensurate and incommensurate magnetic phases, their (quantum) critical properties, and the impact of fluctuations on electronic lifetimes and spectral functions. In two dimensions, the effects of non-local fluctuations beyond DMFT grow enormously, determining the appearance of a low-temperature insulating behavior for all values of the interaction in the unfrustrated model: Here the prototypical features of the Mott-Hubbard metal-insulator transition, as well as the existence of magnetically ordered phases, are completely overwhelmed by antiferromagnetic fluctuations of exponentially large extension, in accordance with the Mermin-Wagner theorem. Eventually, by a fluctuation diagnostics analysis of cluster DMFT self-energies, the same magnetic fluctuations are identified as responsible for the pseudogap regime in the holed-doped frustrated case, with important implications for the theoretical modeling of the cuprate physics.

Climate change in winter versus the growing-season leads to different effects on soil microbial activity in northern hardwood forests

Science.gov (United States)

Sorensen, P. O.; Templer, P. H.; Finzi, A.

2014-12-01

Mean winter air temperatures have risen by approximately 2.5˚ C per decade over the last fifty years in the northeastern U.S., reducing the maximum depth of winter snowpack by approximately 26 cm over this period and the duration of winter snow cover by 3.6 to 4.2 days per decade. Forest soils in this region are projected to experience a greater number of freeze-thaw cycles and lower minimum winter soil temperatures as the depth and duration of winter snow cover declines in the next century. Climate change is likely to result not only in lower soil temperatures during winter, but also higher soil temperatures during the growing-season. We conducted two complementary experiments to determine how colder soils in winter and warmer soils in the growing-season affect microbial activity in hardwood forests at Harvard Forest, MA and Hubbard Brook Experimental Forest, NH. A combination of removing snow via shoveling and buried heating cables were used to induce freeze-thaw events during winter and to warm soils 5˚C above ambient temperatures during the growing-season. Increasing the depth and duration of soil frost via snow-removal resulted in short-term reductions in soil nitrogen (N) production via microbial proteolytic enzyme activity and net N mineralization following snowmelt, prior to tree leaf-out. Declining mass specific rates of carbon (C) and N mineralization associated with five years of snow removal at Hubbard Brook Experimental Forest may be an indication of microbial physiological adaptation to winter climate change. Freeze-thaw cycles during winter reduced microbial extracellular enzyme activity and the temperature sensitivity of microbial C and N mineralization during the growing-season, potentially offsetting nutrient and soil C losses due to soil warming in the growing-season. Our multiple experimental approaches show that winter climate change is likely to contribute to reduced microbial activity in northern hardwood forests.

Moment approach for the attractive Hubbard model in two dimensions: superconductivity

Energy Technology Data Exchange (ETDEWEB)

Rodriguez-Nunez, J.J.; Cordeiro, C.; Delfino, A. [Universidade Federal Fluminense, Niteroi, RJ (Brazil). Inst. de Fisica

1997-12-31

Full text. Using the moment of Nolting (Z. Phys. 225, 25 (1972) for the attractive Hubbard model in the superconducting phase, we have derived a set of three non-linear equations, the electron density, the superconducting order parameter, and the narrowing factor. Our starting point is the Ansatz that the diagonal spectral density is composed of three peaks while the off-diagonal spectral functional is composed of two. The third band, or upper Hubbard band, strongly renormalizes the other two, making the energy gap K dependent while the order parameter is pure s-wave. Our approach recuperates the BCS limit, weak coupling (U/t <<1) in a natural way. We solve these non-linear equations in a self-consistent way for intermediate coupling for U/t {approx} -4.0. Here we report the order parameter as function of temperature and compare it with the BCS result. (author)

Recent numerical results on the two dimensional Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Parola, A.; Sorella, S.; Baroni, S.; Car, R.; Parrinello, M.; Tosatti, E. (SISSA, Trieste (Italy))

1989-12-01

A new method for simulating strongly correlated fermionic systems, has been applied to the study of the ground state properties of the 2D Hubbard model at various fillings. Comparison has been made with exact diagonalizations in the 4 x 4 lattices where very good agreement has been verified in all the correlation functions which have been studied: charge, magnetization and momentum distribution. (orig.).

Recurrent variational approach to the two-leg Hubbard ladder

International Nuclear Information System (INIS)

Kim, E.H.; Sierra, G.; Duffy, D.

1999-01-01

We applied the recurrent variational approach to the two-leg Hubbard ladder. At half filling, our variational ansatz was a generalization of the resonating valence-bond state. At finite doping, hole pairs were allowed to move in the resonating valence-bond background. The results obtained by the recurrent variational approach were compared with results from density matrix renormalization group. copyright 1999 The American Physical Society

Recent numerical results on the two dimensional Hubbard model

International Nuclear Information System (INIS)

Parola, A.; Sorella, S.; Baroni, S.; Car, R.; Parrinello, M.; Tosatti, E.

1989-01-01

This paper reports a new method for simulating strongly correlated fermionic systems applied to the study of the ground state properties of the 2D Hubbard model at various fillings. Comparison has been made with exact diagonalizations in the 4 x 4 lattices where very good agreement has been verified in all the correlation functions which have been studied: charge, magnetization and momentum distribution

Planar N = 4 gauge theory and the Hubbard model

International Nuclear Information System (INIS)

Rej, Adam; Serban, Didina; Staudacher, Matthias

2006-01-01

Recently it was established that a certain integrable long-range spin chain describes the dilatation operator of N = 4 gauge theory in the su(2) sector to at least three-loop order, while exhibiting BMN scaling to all orders in perturbation theory. Here we identify this spin chain as an approximation to an integrable short-ranged model of strongly correlated electrons: The Hubbard model

Stable water isotopes suggest sub-canopy water recycling in a northern forested catchment

Science.gov (United States)

Mark B. Green; Bethany K. Laursen; John L. Campbell; Kevin J. McGuire; Eric P. Kelsey

2015-01-01

Stable water isotopes provide a means of tracing many hydrologic processes, including poorly understood dynamics like soil water interactions with the atmosphere. We present a four-year dataset of biweekly water isotope samples from eight fluxes and stores in a headwater catchment at the Hubbard Brook Experimental Forest, New Hampshire, USA. We use Dansgaard's...

Organizing groundwater regimes and response thresholds by soils: A framework for understanding runoff generation in a headwater catchment

Science.gov (United States)

John P. Gannon; Scott W. Bailey; Kevin J. McGuire

2014-01-01

A network of shallow groundwater wells in a headwater catchment at the Hubbard Brook Experimental Forest in New Hampshire, U.S. was used to investigate the hydrologic behavior of five distinct soil morphological units. The soil morphological units were hypothesized to be indicative of distinct water table regimes. Water table fluctuations in the wells were...

Magnetic and superconducting competition within the Hubbard dimer. Exact solution

International Nuclear Information System (INIS)

Matlak, M.; Slomska, T.; Grabiec, B.

2005-01-01

We express the Hubbard dimer Hamiltonian H d =Σ 16 α=1 E α vertical stroke E α right angle left angle E α vertical stroke in the second quantization with the use of the Hubbard and spin operators. We consider the case of positive and negative U. We decompose the resulting Hamiltonian into several parts collecting all the terms belonging to the same energy level. Such a decomposition visualizes explicitly all intrinsic interactions competing together and deeply hidden in the original form of the dimer Hamiltonian. Among them are competitive ferromagnetic and antiferromagnetic interactions. There are also hopping terms present which describe Cooper pairs hopping between sites 1 and 2 with positive and negative coupling constants (similar as in Kulik-Pedan, Penson-Kolb models). We show that the competition between intrinsic interactions strongly depends on the model parameters and the averaged occupation number of electrons n element of [0, 4] resulting in different regimes of the model (as e.g. t-J model regime, etc.). (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Superconducting properties of the η-pairing state in the Penson-Kolb-Hubbard model

International Nuclear Information System (INIS)

Czart, W.R.; Robaszkiewicz, S.

2004-01-01

The Penson-Kolb-Hubbard model, i.e. the Hubbard model with the pair-hopping interaction J is studied. We focus on the properties of the superconducting state with the Cooper-pair center-of mass momentum q Q(η-phase). The transition into the η-phase, which is favorized by the repulsive J (J c |, dependent on band filling, on-site interaction U and band structure, and the system never exhibits standard BCS-like features. This is in obvious contrast with the properties of the isotropic s-wave state, stabilized by the attractive J and attractive U, which exhibit at T = 0 a smooth crossover from the BCS-like limit to that of tightly bound pairs with increasing pairing strength. (author)

Genome evolution in the fish family salmonidae: generation of a brook charr genetic map and comparisons among charrs (Arctic charr and brook charr with rainbow trout

Directory of Open Access Journals (Sweden)

Moghadam Hooman K

2011-07-01

Full Text Available Abstract Background Salmonids are regarded as 4R derivative species, having experienced 4 whole genome duplication events in their ancestry. Many duplicated chromosome regions still share extensive homology with one another which is maintained primarily through male-based homeologous chromosome pairings during meiosis. The formation of quadrivalents during meiosis leads to pseudolinkage. This phenomenon is more prevalent within 5 of the 12 ancestral teleost linkage groups in salmonids. Results We constructed a genetic linkage map for brook charr and used this in combination with the genetic map from Arctic charr, to make comparisons with the genetic map of rainbow trout. Although not all chromosome arms are currently mapped, some homologous chromosome rearrangements were evident between Arctic charr and brook charr. Notably, 10 chromosome arms in brook charr representing 5 metacentric chromosomes in Arctic charr have undergone rearrangements. Three metacentrics have one arm translocated and fused with another chromosome arm in brook charr to a make a new metacentrics while two metacentrics are represented by 4 acrocentric pairs in brook charr. In two cases (i.e., BC-4 and BC-16, an apparent polymorphism was observed with the identification of both a putative metacentric structure (similar to metacentric AC-4 = BC-4 and a joining of acrocentric AC-16 + one arm of AC-28 = BC-16, as well as two separate acrocentric linkage groups evident in the mapping parents. Forty-six of the expected 50 karyotypic arms could be inter-generically assigned. SEX in brook charr (BC-4 was localized to the same homologous linkage group region as in Arctic charr (AC-4. The homeologous affinities detected in the two charr species facilitated the identification of 20 (expected number = 25 shared syntenic regions with rainbow trout, although it is likely that some of these regions were partial or overlapping arm regions. Conclusions Inter-generic comparisons among 2

Pairing tendencies in a two-orbital Hubbard model in one dimension

Energy Technology Data Exchange (ETDEWEB)

Patel, Niravkumar D. [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Nocera, Adriana [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Alvarez, Gonzalo [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Moreo, A. [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dagotto, Elbio R. [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2017-07-31

The recent discovery of superconductivity under high pressure in the ladder compound BaFe2S3 has opened a new field of research in iron-based superconductors with focus on quasi-one-dimensional geometries. In this publication, using the density matrix renormalization group technique, we study a two-orbital Hubbard model defined in one-dimensional chains. Our main result is the presence of hole binding tendencies at intermediate Hubbard U repulsion and robust Hund coupling J_H / U = 0.25. Binding does not occur either in weak coupling or at very strong coupling. The pair-pair correlations that are dominant near half-filling, or of similar strength as the charge and spin correlation channels, involve hole-pair operators that are spin singlets, use nearest-neighbor sites, and employ different orbitals for each hole. As a result, the Hund coupling strength, presence of robust magnetic moments, and antiferromagnetic correlations among them are important for the binding tendencies found here.

On the SU(2)× SU(2) symmetry in the Hubbard model

Science.gov (United States)

Jakubczyk, Dorota; Jakubczyk, Paweł

2012-08-01

We discuss the one-dimensional Hubbard model, on finite sites spin chain, in context of the action of the direct product of two unitary groups SU(2)× SU(2). The symmetry revealed by this group is applicable in the procedure of exact diagonalization of the Hubbard Hamiltonian. This result combined with the translational symmetry, given as the basis of wavelets of the appropriate Fourier transforms, provides, besides the energy, additional conserved quantities, which are presented in the case of a half-filled, four sites spin chain. Since we are dealing with four elementary excitations, two quasiparticles called "spinons", which carry spin, and two other called "holon" and "antyholon", which carry charge, the usual spin- SU(2) algebra for spinons and the so called pseudospin-SU(2) algebra for holons and antiholons, provide four additional quantum numbers.

Effect of Inhomogeneity on s-wave Superconductivity in the Attractive Hubbard Model

Energy Technology Data Exchange (ETDEWEB)

Aryanpour, K. A. [University of California, Davis; Dagotto, Elbio R [ORNL; Mayr, Matthias [Max-Planck-Institut fur Feskorperforschung, Stuttgart, Germany; Paiva, T. [Universidade Federal do Rio de Janeiro, Brazil; Pickett, W. E. [University of California, Davis; Scalettar, Richard T [ORNL

2006-01-01

Inhomogeneous s-wave superconductivity is studied in the two-dimensional, square lattice attractive Hubbard Hamiltonian using the Bogoliubov-de Gennes BdG mean field approximation. We find that at weak coupling, and for densities mainly below half-filling, an inhomogeneous interaction in which the on-site interaction Ui takes on two values, Ui=0, 2U results in a larger zero temperature pairing amplitude, and that the superconducting Tc can also be significantly increased, relative to a uniform system with Ui=U on all sites. These effects are observed for stripe, checkerboard, and even random patterns of the attractive centers, suggesting that the pattern of inhomogeneity is unimportant. Monte Carlo calculations which reintroduce some of the fluctuations neglected within the BdG approach see the same effect, both for the attractive Hubbard model and a Hamiltonian with d-wave pairing symmetry.

Lead/tin resonator development at the Stony Brook heavy-ion linac

International Nuclear Information System (INIS)

Sikora, J.; Ben-Zvi, I.; Brennan, J.M.; Cole, M.; Noe, J.W.

1988-01-01

The Stony Brook Nuclear Structure Laboratory (NSL) has operated a superconducting heavy-ion booster linac since April 1983. The 40 copper split-loop resonators were developed and fabricated at Cal-Tech and plated with lead at Stony Brook. These original lead surfaces have given stable performance for the last 4 years, at an average accelerating gradient of about 2.5 MV/m in the high-β section. The low-β resonators however have never run reliably on-line much better than 2.0 MV/m, due to excessive vibration of their rather soft loop arms in the working accelerator environment. For the last 2-3 years the efforts of the Stony Brook accelerator development group have been focused on (1) a retrofit of the low-beta section of the linac with new QWRs and (2) the further development of plated superconducting surfaces. In particular a Sn/Pb alloy has been shown to give resonator performance at least comparable to that obtained with pure Pb but with a greatly simplified plating technique, as discussed below. Recently a possible heavy-ion injector based on superconducting RF quadrupole (RFQ) structures has also been studied. 13 references, 3 figures, 1 table

Magnetic properties of three-dimensional Hubbard-sigma model

International Nuclear Information System (INIS)

Yamamoto, Hisashi; Ichinose, Ikuo; Tatara, Gen; Matsui, Tetsuo.

1989-11-01

It is broadly viewed that the magnetism may play an important role in the high-T c superconductivity in the lamellar CuO 2 materials. In this paper, based on a Hubbard-inspired CP 1 or S 2 nonlinear σ model, we give a quantitative study of some magnetic properties in and around the Neel ordered state of three-dimensional quantum antiferromagnets such as La 2 CuO 4 with and without small hole doping. Our model is a (3+1) dimensional effective field theory describing the low energy spin dynamics of a three-dimensional Hubbard model with a very weak interlayer coupling. The effect of hole dynamics is taken into account in the leading approximation by substituting the CP 1 coupling with an 'effective' one determined by the concentration and the one-loop correction of hole fermions. A stationary-phase equation for the one-loop effective potential of S 2 model is analyzed numerically. The behavior of Neel temperature, magnetization (long range Neel order), spin correlation length, etc as functions of anisotropic parameter, temperature, hole concentrations, etc are investigated in detail. A phase diagram is also supported by the renormlization group analysis. The results show that our anisotropic field theory model with certain values of parameters could give a reasonably well description of the magnetic properties indicated by some experiments on pure and doped La 2 CuO 4 . (author)

NH3 and NH4+ permeability in aquaporin-expressing Xenopus oocytes

DEFF Research Database (Denmark)

Holm, Lars M.; Jahn, Thomas Paul; Møller, Anders Laurell Blom

2005-01-01

We have shown recently, in a yeast expression system, that some aquaporins are permeable to ammonia. In the present study, we expressed the mammalian aquaporins AQP8, AQQP9, AQP3, AQP1 and a plant aquaporin TIP2;1 in Xenopus oocytes to study the transport of ammonia (NH3) and ammonium (NH4+) under...... inwards currents carried by NH4+. This conductivity increased as a sigmoid function of external [NH3]: for AQP8 at a bath pH (pH(e)) of 6.5, the conductance was abolished, at pH(e) 7.4 it was half maximal and at pH(e) 7.8 it saturated. NY4+ influx was associated with oocyte swelling. In comparison, native...... oocytes as well as AQP1 and tip2;1-expressing oocytes showed small currents that were associated with small and even negative volume changes. We conclude that AQP8, AQP9, AQP3, and TIP2;1, apart from being water channels, also support significant fluxes of NH3. These aquaporins could support NH4...

First-principles Hubbard U approach for small molecule binding in metal-organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Mann, Gregory W., E-mail: gmann@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Mesosphere, Inc., San Francisco, California 94105 (United States); Lee, Kyuho, E-mail: kyuholee@lbl.gov [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Synopsys, Inc., Mountain View, California 94043 (United States); Cococcioni, Matteo, E-mail: matteo.cococcioni@epfl.ch [Theory and Simulation of Materials (THEOS), École Polytechnique Fédérale de Lausanne, Lausanne (Switzerland); Smit, Berend, E-mail: Berend-Smit@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion (Switzerland); Neaton, Jeffrey B., E-mail: jbneaton@lbl.gov [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States)

2016-05-07

We apply first-principles approaches with Hubbard U corrections for calculation of small molecule binding energetics to open-shell transition metal atoms in metal-organic frameworks (MOFs). Using density functional theory with van der Waals dispersion-corrected functionals, we determine Hubbard U values ab initio through an established linear response procedure for M-MOF-74, for a number of different metal centers (M = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu). While our ab initio U values differ from those used in previous work, we show that they result in lattice parameters and electronic contributions to CO{sub 2}-MOF binding energies that lead to excellent agreement with experiments and previous results, yielding lattice parameters within 3%. In addition, U-dependent calculations for an example system, Co-MOF-74, suggest that the CO{sub 2} binding energy grows monotonically with the value of Hubbard U, with the binding energy shifting 4 kJ/mol (or 0.041 eV) over the range of U = 0-5.4 eV. These results provide insight into an approximate but computationally efficient means for calculation of small molecule binding energies to open-shell transition metal atoms in MOFs and suggest that the approach can be predictive with good accuracy, independent of the cations used and the availability of experimental data.

First-principles Hubbard U approach for small molecule binding in metal-organic frameworks

International Nuclear Information System (INIS)

Mann, Gregory W.; Lee, Kyuho; Cococcioni, Matteo; Smit, Berend; Neaton, Jeffrey B.

2016-01-01

We apply first-principles approaches with Hubbard U corrections for calculation of small molecule binding energetics to open-shell transition metal atoms in metal-organic frameworks (MOFs). Using density functional theory with van der Waals dispersion-corrected functionals, we determine Hubbard U values ab initio through an established linear response procedure for M-MOF-74, for a number of different metal centers (M = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu). While our ab initio U values differ from those used in previous work, we show that they result in lattice parameters and electronic contributions to CO 2 -MOF binding energies that lead to excellent agreement with experiments and previous results, yielding lattice parameters within 3%. In addition, U-dependent calculations for an example system, Co-MOF-74, suggest that the CO 2 binding energy grows monotonically with the value of Hubbard U, with the binding energy shifting 4 kJ/mol (or 0.041 eV) over the range of U = 0-5.4 eV. These results provide insight into an approximate but computationally efficient means for calculation of small molecule binding energies to open-shell transition metal atoms in MOFs and suggest that the approach can be predictive with good accuracy, independent of the cations used and the availability of experimental data.

The Northern hardwood forest ecosystem: ten years of recovery from clearcutting

Science.gov (United States)

J.W. Hornbeck; C.W. Martin; R.S. Pierce; F.H. Bormann; G.E. Likens; J.S. Eaton; J.S. Eaton

1987-01-01

Two even-age management systems, progressive strip cutting and block clearcutting, have been studied since 1970 on small watersheds at the Hubbard Brook Experimental Forest, New Hampshire. In the strip cutting, all merchantable trees were harvested in a series of three strips over 4 years (1970-74). In the block clearcutting, all trees were harvested in a single...

Lateral water flux in the unsaturated zone: A mechanism for the formation of spatial soil heterogeneity in a headwater catchment

Science.gov (United States)

John P. Gannon; Kevin J. McGuire; Scott W. Bailey; Rebecca R. Bourgault; Donald S. Ross

2017-01-01

Measurements of soil water potential and water table fluctuations suggest that morphologically distinct soils in a headwater catchment at the Hubbard Brook Experimental Forest in New Hampshire formed as a result of variations in saturated and unsaturated hydrologic fluxes in the mineral soil. Previous work showed that each group of these soils had distinct water table...

Downsizing a long-term precipitation network: Using a quantitative approach to inform difficult decisions

Science.gov (United States)

Mark B. Green; John L. Campbell; Ruth D. Yanai; Scott W. Bailey; Amey S. Bailey; Nicholas Grant; Ian Halm; Eric P. Kelsey; Lindsey E. Rustad

2018-01-01

The design of a precipitation monitoring network must balance the demand for accurate estimates with the resources needed to build and maintain the network. If there are changes in the objectives of the monitoring or the availability of resources, network designs should be adjusted. At the Hubbard Brook Experimental Forest in New Hampshire, USA, precipitation has been...

NH (X 3 summation -, v=1--3) formation and vibrational relaxation in electron-irradiated Ar/N2/H2 mixtures

International Nuclear Information System (INIS)

Dodd, J.A.; Lipson, S.J.; Flanagan, D.J.; Blumberg, W.A.M.; Person, J.C.; Green, B.D.

1991-01-01

Measurements of the dynamics of NH(X 3 summation - , v =1--3), created in electron-irradiated N 2 /H 2 and Ar/N 2 /H 2 mixtures, have been performed. Time-resolved Fourier spectroscopy was used to observe NH(v→v--1) vibrational fundamental band emission. Time-dependent populations were then determined by spectral fitting. Subsequent kinetic fitting of these populations using a single-quantum relaxation model and a power-law dependence of k v on v yielded the following NH(v =1--3) relaxation rate constants (units of 10 -14 cm 3 s -1 ): k v=1 (N 2 )=1.2±0.5, k v=2 (N 2 )=3.8±1.5, k v=3 (N 2 )=7.5±2.5; k v=1 (Ar)=0.2±0.1, k v=2 (Ar)=0.5±0.2, k v=3 (Ar)=0.8±0.3; k v=1 (H 2 )≤50, k v=2 (H 2 )≤100, k v=3 (H 2 )≤150. In addition, the N 2 /H 2 data provided a measurement of the nascent excited vibrational state distribution resulting from the reaction N( 2 D)+H 2 →NH(X,v)+H. The ratio NH(1):NH(2):NH(3) was found to be 1.0:0.97:0.81 (±0.28 in each value). Comparison of the observed nascent distribution with that of a statistical model suggests that the ratio NH(0):NH(1)=0.47. Using this derived distribution, we find the average product level left-angle v right-angle =1.6, and the fraction of the available product energy in vibration left-angle f v right-angle =0.44

Brook trout (Salvelinus fontinalis extinction in small boreal lakes revealed by ephippia pigmentation: a preliminary analysis

Directory of Open Access Journals (Sweden)

Alexandre Bérubé Tellier

2016-12-01

Full Text Available Ephippium pigmentation is a plastic trait which can be related to a trade-off between visual predation pressure and better protection of cladoceran eggs against different types of stress. Experimental studies showed that planktivorous fish exert a greater predation pressure on individuals carrying darker ephippia, but little is known about the variation of ephippium pigmentation along gradients of fish predation pressure in natural conditions. For this study, our experimental design included four small boreal lakes with known fish assemblages. Two of the lakes have viable brook trout (Salvelinus fontinalis populations, whereas the other two lakes experienced brook trout extinctions during the 20th century. Cladoceran ephippia were extracted from sediment cores at layers corresponding to the documented post- extinction phase (1990's and from an older layer (1950's for which the brook trout population status is not known precisely. Our first objective was to determine whether brook trout extinction has a direct effect on both ephippium pigmentation and size. Our second objective was to give a preliminary assessment of the status of brook trout populations in the 1950's by comparing the variation in ephippia traits measured from this layer to those measured in the 1990's, for which the extinction patterns are well known. Cost-effective image analysis was used to assess variation in pigmentation levels in ephippia. This approach provided a proxy for the amount of melanin invested in each ephippium analysed. Our study clearly shows that ephippium pigmentation may represent a better indicator of the presence of fish predators than ephippium size, a trait that showed a less clear pattern of variation between lakes with and without fish. For the 1990's period, ephippia from fishless lakes were darker and showed a slight tendency to be larger than ephippia from lakes with brook trout. However, no clear differences in either ephippium size or pigmentation

Periodic Ground State Configurations in a One-Dimensional Hubbard Model of Statistical Mechanics

International Nuclear Information System (INIS)

Kipnis, M. M.

2000-01-01

This paper considers an averaging procedure for the description of a particles arrangement in a Hubbard model with antiferromagnetic interactions. The arrangements are described by the devil's staircase. Completeness of the staircase is proved

Relative and center-of-mass motion in the attractive Bose-Hubbard model

DEFF Research Database (Denmark)

Sørensen, Ole Søe; Gammelmark, Søren; Mølmer, Klaus

2012-01-01

We present first-principles numerical calculations for few-particle solutions of the attractive Bose-Hubbard model with periodic boundary conditions. We show that the low-energy many-body states found by numerical diagonalization can be written as translational superposition states of compact...

Possible coexistence of antiferromagnetism and superconductivity in the Hubbard model

International Nuclear Information System (INIS)

Su Zhaobin; Dong Jinming; Yu Lu; Shen Juelian

1988-01-01

The Hubbard model in the nearly half-filled case was studied in the mean field approximation using the effective Hamiltonian approach. Both antiferromagnetic order parameter and condensation of singlet pairs were considered. In certain parameter ranges the coexistence of antiferromagnetism and superconductivity is energetically favourable. Relevance to the high temperature superconductivity and other theoretical approaches is also discussed. (author). 10 refs, 3 figs

Invasion by nonnative brook trout in Panther Creek, Idaho: Roles of local habitat quality, biotic resistance, and connectivity to source habitats

Science.gov (United States)

Benjamin, Joseph R.; Dunham, Jason B.; Dare, M.R.

2007-01-01

Theoretical models and empirical evidence suggest that the invasion of nonnative species in freshwaters is facilitated through the interaction of three factors: habitat quality, biotic resistance, and connectivity. We measured variables that represented each factor to determine which were associated with the occurrence of nonnative brook trout Salvelinus fontinalis in Panther Creek, a tributary to the Salmon River, Idaho. Habitat variables included measures of summer and winter temperature, instream cover, and channel size. The abundance of native rainbow trout Oncorhynchus mykiss within sampled sites was used as a measure of biotic resistance. We also considered the connectivity of sample sites to unconfined valley bottoms, which were considered habitats that may serve as sources for the spread of established populations of brook trout. We analyzed the occurrence of small (<150‐mm [fork length]) and large (≥150‐mm) brook trout separately, assuming that the former represents an established invasion while accounting for the higher potential mobility of the latter. The occurrence of small brook trout was strongly associated with the proximity of sites to large, unconstrained valley bottoms, providing evidence that such habitats may serve as sources for the spread of brook trout invasion. Within sites, winter degree‐days and maximum summer temperature were positively associated with the occurrence of small brook trout. The occurrence of large brook trout was not related to any of the variables considered, perhaps due to the difficulty of linking site‐specific habitat factors to larger and more mobile individuals. The abundance of rainbow trout was not conclusively associated with the occurrence of either small or large brook trout, providing little support for the role of biotic resistance. Overall, our results suggest that source connectivity and local habitat characteristics, but not biotic resistance, influence the establishment and spread of

Influence of species, size and relative abundance on the outcomes of competitive interactions between brook trout and juvenile coho salmon

Science.gov (United States)

Thornton, Emily J; Duda, Jeff; Quinn, Thomas P.

2016-01-01

Resource competition between animals is influenced by a number of factors including the species, size and relative abundance of competing individuals. Stream-dwelling animals often experience variably available food resources, and some employ territorial behaviors to increase their access to food. We investigated the factors that affect dominance between resident, non-native brook trout and recolonizing juvenile coho salmon in the Elwha River, WA, USA, to see if brook trout are likely to disrupt coho salmon recolonization via interference competition. During dyadic laboratory feeding trials, we hypothesized that fish size, not species, would determine which individuals consumed the most food items, and that species would have no effect. We found that species, not size, played a significant role in dominance; coho salmon won 95% of trials, even when only 52% the length of their brook trout competitors. As the pairs of competing fish spent more time together during a trial sequence, coho salmon began to consume more food, and brook trout began to lose more, suggesting that the results of early trials influenced fish performance later. In group trials, we hypothesized that group composition and species would not influence fish foraging success. In single species groups, coho salmon consumed more than brook trout, but the ranges overlapped. Brook trout consumption remained constant through all treatments, but coho salmon consumed more food in treatments with fewer coho salmon, suggesting that coho salmon experienced more intra- than inter-specific competition and that brook trout do not pose a substantial challenge. Based on our results, we think it is unlikely that competition from brook trout will disrupt Elwha River recolonization by coho salmon.

Immobilization of Mn and NH4 (+)-N from electrolytic manganese residue waste.

Science.gov (United States)

Chen, Hongliang; Liu, Renlong; Liu, Zuohua; Shu, Jiancheng; Tao, Changyuan

2016-06-01

The objective of this work was the immobilization of soluble manganese (Mn) and ammonium nitrogen (NH4 (+)-N) leached from electrolytic manganese residue (EMR). Immobilization of Mn was investigated via carbonation using carbon dioxide (CO2) and alkaline additives. NH4 (+)-N immobilization was evaluated via struvite precipitation using magnesium and phosphate sources. Results indicated that the immobilization efficiency of Mn using CO2 and quicklime (CaO) was higher than using CO2 and sodium hydroxide (NaOH). This higher efficiency was likely due to the slower release of OH(-) during CaO hydrolysis. The immobilization efficiency of Mn was >99.99 % at the CaO:EMR mass ratio of 0.05:1 for 20-min reaction time. The struvite precipitation of NH4 (+)-N was conducted in the carbonated EMR slurry and the immobilization efficiency was 89 % using MgCl2 · 6H2O + Na3PO4 · 12H2O at the Mg:P:N molar ratio of 1.5:1.5:1 for 90-min reaction time. A leaching test showed that the concentrations of Mn and NH4 (+)-N in the filtrate of the treated EMR were 0.2 and 9 mg/L, respectively. The combined immobilization of Mn and NH4 (+)-N was an effective pretreatment method in the harmless treatment of the EMR.

The effects of varied densities on the growth and emigration of adult cutthroat trout and brook trout in fenced stream enclosures

Science.gov (United States)

Buys, D.J.; Hilderbrand, R.H.; Kershner, J.L.

2009-01-01

We evaluated the effects of various density treatments on adult fish growth and emigration rates between Bonneville cutthroat trout Oncorhynchus clarki utah and brook trout Salvelinus fontinalis in stream enclosures in Beaver Creek, Idaho, We used 3 density treatments (low, ambient, and high fish densities) to evaluate density-related effects and to ensure a response. Intraspecific ambient-density tests using cutthroat trout only were also performed. Results indicated an absence of cage effects in the stream enclosures and no differences in fish growth between ambient-density stream-enclosure fish and free-range fish. Brook trout outgrew and moved less than cutthroat trout in the stream enclosures, especially as density increased, In all 3 density treatments, brook trout gained more weight than cutthroat trout, with brook trout gaining weight in each density treatment and cutthroat trout losing weight at the highest density. At high densities, cutthroat trout attempted to emigrate more frequently than brook trout in sympatry and allopatry. We observed a negative correlation between growth and emigration for interspecific cutthroat trout, indicating a possible competitive response due to the presence of brook trout. We observed similar responses for weight and emigration in trials of allopatric cutthroat trout, indicating strong intraspecific effects as density increased. While cutthroat trout showed a response to experimental manipulation with brook trout at different densities, there has been long-term coexistence between these species in Beaver Creek, This system presents a unique opportunity to study the mechanisms that lead cutthroat trout to coexist with rather than be replaced by nonnative brook trout.

A comparative and experimental evaluation of performance of stocked diploid and triploid brook trout

Science.gov (United States)

Budy, Phaedra E.; Thiede, G.P.; Dean, A.; Olsen, D.; Rowley, G.

2012-01-01

Despite numerous negative impacts, nonnative trout are still being stocked to provide economically and socially valuable sport fisheries in western mountain lakes. We evaluated relative performance and potential differences in feeding strategy and competitive ability of triploid versus diploid brook trout Salvelinus fontinalis in alpine lakes, as well as behavioral and performance differences of diploid and triploid brook trout in two controlled experimental settings: behavioral experiments in the laboratory and performance evaluations in ponds. Across lakes, catch per unit effort (CPUE) and relative weight (Wr ) were not significantly different between ploidy levels. Mean sizes were also similar between ploidy levels except in two of the larger lakes where diploids attained slightly larger sizes (approximately 20 mm longer). We observed no significant differences between diploids and triploids in diet, diet preference, or trophic structure. Similarly, growth and condition did not differ between ploidy levels in smaller-scale pond experiments, and aggressive behavior did not differ between ploidy levels (fed or unfed fish trials) in the laboratory. Independent of ploidy level, the relative performance of brook trout varied widely among lakes, a pattern that appeared to be a function of lake size or a factor that covaries with lake size such as temperature regime or carrying capacity. In summary, we observed no significant differences in the relative performance of brook trout from either ploidy level across a number of indices, systems, and environmental conditions, nor any indication that one group is more aggressive or a superior competitor than the other. Collectively, these results suggest that triploid brook trout will offer a more risk-averse and promising management opportunity when they are stocked to these lakes and elsewhere to simultaneously meet the needs for the sport fishery and conservation objectives.

Superconductivity, Mott-Hubbard states, and molecular orbital order in intercalated fullerides

CERN Document Server

Iwasa, Y

2003-01-01

This article reviews the current status of chemically doped fullerene superconductors and related compounds, with particular focus on Mott-Hubbard states and the role of molecular orbital degeneracy. Alkaline-earth metal fullerides produce superconductors of several kinds, all of which have states with higher valence than (C sub 6 sub 0) sup 6 sup - , where the second lowest unoccupied molecular orbital (the LUMO + 1 state) is filled. Alkali-metal-doped fullerides, on the other hand, afford superconductors only at the stoichiometry A sub 3 C sub 6 sub 0 (A denotes alkali metal) and in basically fcc structures. The metallicity and superconductivity of A sub 3 C sub 6 sub 0 compounds are destroyed either by reduction of the crystal symmetry or by change in the valence of C sub 6 sub 0. This difference is attributed to the narrower bandwidth in the A sub 3 C sub 6 sub 0 system, causing electronic instability in Jahn-Teller insulators and Mott-Hubbard insulators. The latter metal-insulator transition is driven by...

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

Science.gov (United States)

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

2016-01-01

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

Slave-boson method for the Hubbard model: Resonating-valence-bond state and high-temperature superconductivity

International Nuclear Information System (INIS)

Kapitonov, V.S.

1991-01-01

This paper offers a formulation of mean-field theory for the Hubbard model that is different from the one developed in the work of Anderson. The modified slave-boson method is used. The advantage of the method is that it is not necessary to exclude doubly occupied sites by using the approximately canonical transformation. In the proposed theory, Cooper pairs and the energy gap are a result of the condensation of the slave Bose field that describes doubly occupied sites. Here, the modified slave-boson method is used to describe the metal-insulator and metal-superconductor phase transitions in the Hubbard model. Expressions are derived for the energy gap and phase-transition temperature

Role of NH3 and NH4+ transporters in renal acid-base transport.

Science.gov (United States)

Weiner, I David; Verlander, Jill W

2011-01-01

Renal ammonia excretion is the predominant component of renal net acid excretion. The majority of ammonia excretion is produced in the kidney and then undergoes regulated transport in a number of renal epithelial segments. Recent findings have substantially altered our understanding of renal ammonia transport. In particular, the classic model of passive, diffusive NH3 movement coupled with NH4+ "trapping" is being replaced by a model in which specific proteins mediate regulated transport of NH3 and NH4+ across plasma membranes. In the proximal tubule, the apical Na+/H+ exchanger, NHE-3, is a major mechanism of preferential NH4+ secretion. In the thick ascending limb of Henle's loop, the apical Na+-K+-2Cl- cotransporter, NKCC2, is a major contributor to ammonia reabsorption and the basolateral Na+/H+ exchanger, NHE-4, appears to be important for basolateral NH4+ exit. The collecting duct is a major site for renal ammonia secretion, involving parallel H+ secretion and NH3 secretion. The Rhesus glycoproteins, Rh B Glycoprotein (Rhbg) and Rh C Glycoprotein (Rhcg), are recently recognized ammonia transporters in the distal tubule and collecting duct. Rhcg is present in both the apical and basolateral plasma membrane, is expressed in parallel with renal ammonia excretion, and mediates a critical role in renal ammonia excretion and collecting duct ammonia transport. Rhbg is expressed specifically in the basolateral plasma membrane, and its role in renal acid-base homeostasis is controversial. In the inner medullary collecting duct (IMCD), basolateral Na+-K+-ATPase enables active basolateral NH4+ uptake. In addition to these proteins, several other proteins also contribute to renal NH3/NH4+ transport. The role and mechanisms of these proteins are discussed in depth in this review.

Marginal Experiments: Peter Brook and Stepping out Theatre Company

Science.gov (United States)

Harpin, Anna

2010-01-01

This article juxtaposes the recent work of Peter Brook with a Bristol-based mental health service-user collective--Stepping Out Theatre Company. Informed by field-work with the company, this chapter explores the aesthetic and political relationship between professional, experimental theatre work and community-based performance practice. Drawing…

Impact of a reduced winter snowpack on litter arthropod abundance and diversity in a northern hardwood forest ecosystem

Science.gov (United States)

Pamela H. Templer; Andrew F. Schiller; Nathan W. Fuller; Anne M. Socci; John L. Campbell; John E. Drake; Thomas H. Kunz

2012-01-01

Projected changes in climate for the northeastern USA over the next 100 years include a reduction in the depth and duration of the winter snowpack, which could affect soil temperatures and frost regimes. We conducted a snow-removal experiment in a northern hardwood forest at the Hubbard Brook Experimental Forest in central New Hampshire over 2 years to induce soil...

Growth rate differences between resident native brook trout and non-native brown trout

Science.gov (United States)

Carlson, S.M.; Hendry, A.P.; Letcher, B.H.

2007-01-01

Between species and across season variation in growth was examined by tagging and recapturing individual brook trout Salvelinus fontinalis and brown trout Salmo trutta across seasons in a small stream (West Brook, Massachusetts, U.S.A.). Detailed information on body size and growth are presented to (1) test whether the two species differed in growth within seasons and (2) characterize the seasonal growth patterns for two age classes of each species. Growth differed between species in nearly half of the season- and age-specific comparisons. When growth differed, non-native brown trout grew faster than native brook trout in all but one comparison. Moreover, species differences were most pronounced when overall growth was high during the spring and early summer. These growth differences resulted in size asymmetries that were sustained over the duration of the study. A literature survey also indicated that non-native salmonids typically grow faster than native salmonids when the two occur in sympatry. Taken together, these results suggest that differences in growth are not uncommon for coexisting native and non-native salmonids. ?? 2007 The Authors.

Fidelity study of the superconducting phase diagram in the two-dimensional single-band Hubbard model

Science.gov (United States)

Jia, C. J.; Moritz, B.; Chen, C.-C.; Shastry, B. Sriram; Devereaux, T. P.

2011-09-01

Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range d-wave pair field term, which precipitates a superconducting state in the d-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the d-wave pair/spin/charge-density matrices. The calculations show a d-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion U and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping t'. We also demonstrate that negative t' plays an important role in facilitating d-wave superconductivity.

Scale-dependent seasonal pool habitat use by sympatric Wild Brook Trout and Brown Trout populations

Science.gov (United States)

Davis, Lori A.; Wagner, Tyler

2016-01-01

Sympatric populations of native Brook Trout Salvelinus fontinalis and naturalized Brown Trout Salmo truttaexist throughout the eastern USA. An understanding of habitat use by sympatric populations is of importance for fisheries management agencies because of the close association between habitat and population dynamics. Moreover, habitat use by stream-dwelling salmonids may be further complicated by several factors, including the potential for fish to display scale-dependent habitat use. Discrete-choice models were used to (1) evaluate fall and early winter daytime habitat use by sympatric Brook Trout and Brown Trout populations based on available residual pool habitat within a stream network and (2) assess the sensitivity of inferred habitat use to changes in the spatial scale of the assumed available habitat. Trout exhibited an overall preference for pool habitats over nonpool habitats; however, the use of pools was nonlinear over time. Brook Trout displayed a greater preference for deep residual pool habitats than for shallow pool and nonpool habitats, whereas Brown Trout selected for all pool habitat categories similarly. Habitat use by both species was found to be scale dependent. At the smallest spatial scale (50 m), habitat use was primarily related to the time of year and fish weight. However, at larger spatial scales (250 and 450 m), habitat use varied over time according to the study stream in which a fish was located. Scale-dependent relationships in seasonal habitat use by Brook Trout and Brown Trout highlight the importance of considering scale when attempting to make inferences about habitat use; fisheries managers may want to consider identifying the appropriate spatial scale when devising actions to restore and protect Brook Trout populations and their habitats.

Brooke-Spiegler syndrome

Directory of Open Access Journals (Sweden)

Layegh Pouran

2008-01-01

Full Text Available The Brooke-Spiegler syndrome (BSS is an uncommon autosomal dominant disorder characterized by a high affinity to form multiple adnexal neoplasia (skin appendage tumors, especially trichoepitheliomas and cylindromas, and occasionally spiradenomas, which usually appear in the second or third decade of life. To date, only a few cases with this syndrome have been reported. This case report describes a 26-year-old woman who presented to the dermatology department of Qaem Hospital with tumoral lesions on her scalp, face, and forearm. Her father and younger brother were also affected. On examination, several round-to-oval skin-colored papules with a smooth pearly surface measuring 2 to 6 mm in diameter were seen on the mid-face, particularly in the nasolabial folds, the upper lip. Tumors and nodules seen on the scalp were pinkish red, dome-shaped, and to some extent, pedunculated with surface telangiectasia and induration. Histopathology of the facial papules showed trichoepithelioma while that of a scalp nodule showed cylindroma.

Grandy Brook Station to Hope Brook Station transmission line, environmental impact statement

Energy Technology Data Exchange (ETDEWEB)

1987-01-01

Newfoundland and Labrador Hydro proposes to construct a 138kW transmission line to provide power and energy requirements of the Hope Brook Gold Mine. The proposed route runs approximately 33 km adjacent to Route 480, requiring a cleared right-of-way approximately 30 m wide, with access provided by an all terrain vehicle trail. Concerns were expressed about possible adverse effects on terrestrial and aquatic habitat, water resources, resource utilization, wildlife, and historic resources. This document provides a description of the project and the rationale; the baseline environmental conditions; the environmental protection plan agreed to by Hydro, including mitigation measures and predicted impacts; rehabilitation measures; monitoring; and public involvement. Hydro's studies concluded there would be no significant impact on the environment, including the La Poile caribou herd or the raptors affected. 33 refs., 5 figs., 3 tabs.

Two-site Hubbard molecule with a spinless electron-positron pair

KAUST Repository

Cossu, Fabrizio

2012-12-19

We determine the eigenvalues of the two-site Hubbard molecule with one electron and one positron to describe the characteristics of electron-positron interactions in solids. While the effect of hopping is, in general, opposite to the effect of on-site interaction, we find a complex scenario for the electron-positron pair with a non-vanishing potential drop. We give analytical solutions and discuss the combined effects of the model parameters.

Two-site Hubbard molecule with a spinless electron-positron pair

KAUST Repository

Cossu, Fabrizio; Schuster, Cosima; Schwingenschlö gl, Udo

2012-01-01

We determine the eigenvalues of the two-site Hubbard molecule with one electron and one positron to describe the characteristics of electron-positron interactions in solids. While the effect of hopping is, in general, opposite to the effect of on-site interaction, we find a complex scenario for the electron-positron pair with a non-vanishing potential drop. We give analytical solutions and discuss the combined effects of the model parameters.

Leach of the weathering crust elution-deposited rare earth ore for low environmental pollution with a combination of (NH4)2SO4 and EDTA.

Science.gov (United States)

Tang, Jie; Qiao, Jiyang; Xue, Qiang; Liu, Fei; Chen, Honghan; Zhang, Guochen

2018-05-01

High concentration of ammonium sulfate, a typical leaching agent, was often used in the mining process of the weathering crust elution-deposited rare earth ore. After mining, a lot of ammonia nitrogen and labile heavy metal fractions were residual in tailings, which may result in a huge potential risk to the environment. In this study, in order to achieve the maximum extraction of rare earth elements and reduce the labile heavy metal, extraction effect and fraction changes of lanthanum (La) and lead (Pb) in the weathering crust elution-deposited rare earth ore were studied by using a compound agent of (NH 4 ) 2 SO 4 -EDTA. The extraction efficiency of La was more than 90% by using 0.2% (NH 4 ) 2 SO 4 -0.005 M EDTA, which was almost same with that by using 2.0% (NH 4 ) 2 SO 4 solution. In contrast, the extraction efficiency of Pb was 62.3% when use 0.2% (NH 4 ) 2 SO 4 -0.005 M EDTA, which is much higher than that (16.16%) achieved by using 2.0% (NH 4 ) 2 SO 4 solution. The released Pb fractions were mainly acid extractable and reducible fractions, and the content of reducible fraction being leached accounted for 70.45% of the total reducible fraction. Therefore, the use of 0.2% (NH 4 ) 2 SO 4 -0.005 M EDTA can not only reduce the amount of (NH 4 ) 2 SO 4 , but also decrease the labile heavy metal residues in soil, which provides a new way for efficient La extraction with effective preventing and controlling environmental pollution in the process of mining the weathering crust elution-deposited rare earth ore. Copyright © 2018 Elsevier Ltd. All rights reserved.

Landscape-scale evaluation of asymmetric interactions between Brown Trout and Brook Trout using two-species occupancy models

Science.gov (United States)

Wagner, Tyler; Jefferson T. Deweber,; Jason Detar,; John A. Sweka,

2013-01-01

Predicting the distribution of native stream fishes is fundamental to the management and conservation of many species. Modeling species distributions often consists of quantifying relationships between species occurrence and abundance data at known locations with environmental data at those locations. However, it is well documented that native stream fish distributions can be altered as a result of asymmetric interactions between dominant exotic and subordinate native species. For example, the naturalized exotic Brown Trout Salmo trutta has been identified as a threat to native Brook Trout Salvelinus fontinalis in the eastern United States. To evaluate large-scale patterns of co-occurrence and to quantify the potential effects of Brown Trout presence on Brook Trout occupancy, we used data from 624 stream sites to fit two-species occupancy models. These models assumed that asymmetric interactions occurred between the two species. In addition, we examined natural and anthropogenic landscape characteristics we hypothesized would be important predictors of occurrence of both species. Estimated occupancy for Brook Trout, from a co-occurrence model with no landscape covariates, at sites with Brown Trout present was substantially lower than sites where Brown Trout were absent. We also observed opposing patterns for Brook and Brown Trout occurrence in relation to percentage forest, impervious surface, and agriculture within the network catchment. Our results are consistent with other studies and suggest that alterations to the landscape, and specifically the transition from a forested catchment to one that contains impervious surface or agriculture, reduces the occurrence probability of wild Brook Trout. Our results, however, also suggest that the presence of Brown Trout results in lower occurrence probability of Brook Trout over a range of anthropogenic landscape characteristics, compared with streams where Brown Trout were absent.

Rapid ammonia gas transport accounts for futile transmembrane cycling under NH3/NH4+ toxicity in plant roots.

Science.gov (United States)

Coskun, Devrim; Britto, Dev T; Li, Mingyuan; Becker, Alexander; Kronzucker, Herbert J

2013-12-01

Futile transmembrane NH3/NH4(+) cycling in plant root cells, characterized by extremely rapid fluxes and high efflux to influx ratios, has been successfully linked to NH3/NH4(+) toxicity. Surprisingly, the fundamental question of which species of the conjugate pair (NH3 or NH4(+)) participates in such fluxes is unresolved. Using flux analyses with the short-lived radioisotope (13)N and electrophysiological, respiratory, and histochemical measurements, we show that futile cycling in roots of barley (Hordeum vulgare) seedlings is predominately of the gaseous NH3 species, rather than the NH4(+) ion. Influx of (13)NH3/(13)NH4(+), which exceeded 200 µmol g(-1) h(-1), was not commensurate with membrane depolarization or increases in root respiration, suggesting electroneutral NH3 transport. Influx followed Michaelis-Menten kinetics for NH3 (but not NH4(+)), as a function of external concentration (Km = 152 µm, Vmax = 205 µmol g(-1) h(-1)). Efflux of (13)NH3/(13)NH4(+) responded with a nearly identical Km. Pharmacological characterization of influx and efflux suggests mediation by aquaporins. Our study fundamentally revises the futile-cycling model by demonstrating that NH3 is the major permeating species across both plasmalemma and tonoplast of root cells under toxicity conditions.

Group theoretical classification of broken symmetry states of the two-fold degenerate Hubbard model on a triangular lattice

International Nuclear Information System (INIS)

Masago, Akira; Suzuki, Naoshi

2001-01-01

By a group theoretical procedure we derive the possible spontaneously broken-symmetry states for the two-fold degenerate Hubbard model on a two-dimensional triangular lattice. For ordering wave vectors corresponding to the points Γ and K in the first BZ we find 22 states which include 16 collinear and six non-collinear states. The collinear states include the usual SDW and CDW states which appear also in the single-band Hubbard model. The non-collinear states include exotic ordering states of orbitals and spins as well as the triangular arrangement of spins

Imaging a multidimensional multichannel potential energy surface: Photodetachment of H(-)(NH3) and NH4 (.).

Science.gov (United States)

Hu, Qichi; Song, Hongwei; Johnson, Christopher J; Li, Jun; Guo, Hua; Continetti, Robert E

2016-06-28

Probes of the Born-Oppenheimer potential energy surfaces governing polyatomic molecules often rely on spectroscopy for the bound regions or collision experiments in the continuum. A combined spectroscopic and half-collision approach to image nuclear dynamics in a multidimensional and multichannel system is reported here. The Rydberg radical NH4 and the double Rydberg anion NH4 (-) represent a polyatomic system for benchmarking electronic structure and nine-dimensional quantum dynamics calculations. Photodetachment of the H(-)(NH3) ion-dipole complex and the NH4 (-) DRA probes different regions on the neutral NH4 PES. Photoelectron energy and angular distributions at photon energies of 1.17, 1.60, and 2.33 eV compare well with quantum dynamics. Photoelectron-photofragment coincidence experiments indicate dissociation of the nascent NH4 Rydberg radical occurs to H + NH3 with a peak kinetic energy of 0.13 eV, showing the ground state of NH4 to be unstable, decaying by tunneling-induced dissociation on a time scale beyond the present scope of multidimensional quantum dynamics.

Feasibility of target communities in a Dutch brook valley system

NARCIS (Netherlands)

Prins, AH; Bekker, RM

As a reaction to the ongoing deterioration of nature conservation interest in The Netherlands, an offensive nature strategy was formulated in the 1990 Nature Policy Plan. In this Plan, target communities and target plant species are mentioned. For the 'Drentse A brook valley system', target

Analysis of the dynamical cluster approximation for the Hubbard model

OpenAIRE

Aryanpour, K.; Hettler, M. H.; Jarrell, M.

2002-01-01

We examine a central approximation of the recently introduced Dynamical Cluster Approximation (DCA) by example of the Hubbard model. By both analytical and numerical means we study non-compact and compact contributions to the thermodynamic potential. We show that approximating non-compact diagrams by their cluster analogs results in a larger systematic error as compared to the compact diagrams. Consequently, only the compact contributions should be taken from the cluster, whereas non-compact ...

Surface-exchange of NOx and NH3 above a winter wheat field in the Yangtze Delta, China

Institute of Scientific and Technical Information of China (English)

FANG Shuan-gxi; ZHANG Yi; MU Yu-jing

2006-01-01

A four-dynamic-chamber system was constructed to measure NOx and NH3 surface-exchange between a typical wheat field and the fluxes of NO2 and NH3 were negatively correlated with their ambient concentrations during the investigated period. The compensation point of NO2 between the wheat field and the atmosphere was 11.9 μg/m3. The emissions of NO-N and NH3-N from the urea applied to the wheat field were 2.3% and 0.2%, respectively, which indicated that the main pathway of N loss from the investigated winter wheat field was NO. Application of a mixture of urea and lignin increased the emissions of NO, but also greatly increased the yield of the winter wheat.

Thermalization after an interaction quench in the Hubbard model.

Science.gov (United States)

Eckstein, Martin; Kollar, Marcus; Werner, Philipp

2009-07-31

We use nonequilibrium dynamical mean-field theory to study the time evolution of the fermionic Hubbard model after an interaction quench. Both in the weak-coupling and in the strong-coupling regime the system is trapped in quasistationary states on intermediate time scales. These two regimes are separated by a sharp crossover at U(c)dyn=0.8 in units of the bandwidth, where fast thermalization occurs. Our results indicate a dynamical phase transition which should be observable in experiments on trapped fermionic atoms.

Is motivation important to brook trout passage through culverts?

Science.gov (United States)

Goerig, Elsa; Castro-Santos, Theodore R.

2017-01-01

Culverts can restrict movement of stream-dwelling fish. Motivation to enter and ascend these structures is an essential precursor for successful passage. However, motivation is challenging to quantify. Here, we use attempt rate to assess motivation of 447 brook trout (Salvelinus fontinalis) entering three culverts under a range of hydraulic, environmental, and biological conditions. A passive integrated transponder system allowed for the identification of passage attempts and success of individual fish. Attempt rate was quantified using time-to-event analysis allowing for time-varying covariates and recurrent events. Attempt rate was greatest during the spawning period, at elevated discharge, at dusk, and for longer fish. It decreased during the day and with increasing number of conspecifics downstream of the culvert. Results also show a positive correlation between elevated motivation and successful passage. This study enhances understanding of factors influencing brook trout motivation to ascend culverts and shows that attempt rate is a dynamic phenomenon, variable over time and among individuals. It also presents methods that could be used to investigate other species’ motivation to pass natural or anthropogenic barriers.

Unsupervised machine learning account of magnetic transitions in the Hubbard model

Science.gov (United States)

Ch'ng, Kelvin; Vazquez, Nick; Khatami, Ehsan

2018-01-01

We employ several unsupervised machine learning techniques, including autoencoders, random trees embedding, and t -distributed stochastic neighboring ensemble (t -SNE), to reduce the dimensionality of, and therefore classify, raw (auxiliary) spin configurations generated, through Monte Carlo simulations of small clusters, for the Ising and Fermi-Hubbard models at finite temperatures. Results from a convolutional autoencoder for the three-dimensional Ising model can be shown to produce the magnetization and the susceptibility as a function of temperature with a high degree of accuracy. Quantum fluctuations distort this picture and prevent us from making such connections between the output of the autoencoder and physical observables for the Hubbard model. However, we are able to define an indicator based on the output of the t -SNE algorithm that shows a near perfect agreement with the antiferromagnetic structure factor of the model in two and three spatial dimensions in the weak-coupling regime. t -SNE also predicts a transition to the canted antiferromagnetic phase for the three-dimensional model when a strong magnetic field is present. We show that these techniques cannot be expected to work away from half filling when the "sign problem" in quantum Monte Carlo simulations is present.

Synthesis, characterization, and application of Zn(NH 3)(CO3) for selective adsorptive separation of CO2

Science.gov (United States)

Khazeni, Naasser

This study explores the potential of Zn(NH3)(CO3) for selective CO2 separation. It develops a novel, highly controllable, single-pot synthesis approach based on urea hydrolysis and solvothermal aging to increase the feasibility of synthesizing Zn(NH3)(CO3), determines the structure of Zn(NH3)(CO3) in detail through single crystal X-ray diffraction and powder X-ray diffraction analyses, and performs adsorption analyses for the compound using CO2, N 2, H2, O2, and CH4 as adsorptives. Through adsorptive characterization, a systematic adsorbent selection screening is performed to assess the potential application of Zn(NH3)(CO 3) for adsorptive separation of CO2 from an upstream gas mixture of power generation, hydrogen production, and natural gas industries. Structural analysis shows Zn(NH3)(CO3) to have an inorganic helical framework that consists of a small helix of (ZnOCO) 2 and a large helix of (ZnOCO)4 with two ammines (NH 3) pendant from every other zinc. In terms of adsorption capacity and CO2 selectivity, Zn(NH3)(CO3) adsorbed 0.550 mmole/g CO2 at 293 K and 4500 mmHg, but only 0.047 mmole/g N 2, 0.084 mmole/g H2, 0.207 mmole/g 02, and 0.060 mmole/g CH4 at the same temperature and pressure. This behavior demonstrates considerable equilibrium selectivities - 36, 31, 63, and 11 - for separating CO2 from CH4, CO2 from H 2, CO2 from N2, and CO2 from 02, respectively. During adsorption, the pendant ammines act as the gates of check-valves: applied pressure opens the gates for adsorption; and during desorption, the gates are closed, trapping the adsorbates, until a reduction of pressure to near-atmospheric levels. Therefore, Zn(NH3)(CO3) exhibits low-pressure H3 or H4 hysteresis, indicating that the Zn(NH3)(CO3) framework can achieve gas storage at near-atmospheric pressures. Additionally, the compound proves structurally stable, with an adsorption decrease of 0.8% after 20 adsorption/desorption cycles - a factor that, considered with the other characteristics of Zn(NH

Ab inito calculations of Hubbard parameters for NiO and Gd crystals

Directory of Open Access Journals (Sweden)

A. R Faghihi and S Jalali Asadabadi

2008-07-01

Full Text Available   In this research the Hubbard parameters have been calculated for NiO and Gd crystals, as two strongly correlated systems with partially full 3d and 4f levels, respectively. The calculations were performed within the density functional theory (DFT using the augmented plane waves plus the local orbitat (APW+lo method. We constructed a suitable supercell and found that the Hubbard parameters for the NiO and Gd compounds are equal to 5.9 eV and 5.7 eV, respectively. Our results are in good agreement with experimental data and results of other computational methods. Then we used the obtained parameters to study the structural properties of NiO and Gd by means of LDA+U approximation. Our results calculated by the LDA+U method which are in better agreement with the experiment show a significant improvement compared to the GGA approximation. The result shows that our method for calculating U parameter can be considered as a satisfactory method to study a strongly correlated system.

Low-lying Photoexcited States of a One-Dimensional Ionic Extended Hubbard Model

Science.gov (United States)

Yokoi, Kota; Maeshima, Nobuya; Hino, Ken-ichi

2017-10-01

We investigate the properties of low-lying photoexcited states of a one-dimensional (1D) ionic extended Hubbard model at half-filling. Numerical analysis by using the full and Lanczos diagonalization methods shows that, in the ionic phase, there exist low-lying photoexcited states below the charge transfer gap. As a result of comparison with numerical data for the 1D antiferromagnetic (AF) Heisenberg model, it was found that, for a small alternating potential Δ, these low-lying photoexcited states are spin excitations, which is consistent with a previous analytical study [Katsura et al., link ext-link-type="uri" xlink:href="https://doi.org/10.1103/PhysRevLett.103.177402" xlink:type="simple">Phys. Rev. Lett. 103, 177402 (2009)link>]. As Δ increases, the spectral intensity of the 1D ionic extended Hubbard model rapidly deviates from that of the 1D AF Heisenberg model and it is clarified that this deviation is due to the neutral-ionic domain wall, an elementary excitation near the neutral-ionic transition point.

Relationships between the Brook Street Terrane and Median Tectonic Zone (Median Batholith) : evidence from Jurassic conglomerates

International Nuclear Information System (INIS)

Tulloch, A.J.; Kimbrough, D.L.; Landis, C.A.; Mortimer, N.; Johnston, M.R.

1999-01-01

U-Pb zircon ages of 237-180 Ma and c. 280 Ma of seven granitoid clasts from the Rainy River Conglomerate which lies within the eastern Median Tectonic Zone (Median Batholith) in Nelson, and the Barretts Formation of the Brook Street Terrane in Southland, constrain the depositional ages of both units to be no older than c. 180-200 Ma (Early Jurassic). The minimum age of the Rainy River Conglomerate is constrained by the 147 +2 -1 Ma (Latest Jurassic) emplacement age of the One Mile Gabbronorite (new name: previously western Buller Diorite). The ages and chemistry of five of the granitoid clasts are broadly compatible with derivation from rocks that are now represented by Triassic plutons of the Median Tectonic Zone (Median Batholith), although ages as young as 180 Ma are slightly outside the range of the latter as currently exposed in New Zealand. The age (273-290 Ma, 237 +/- 3 Ma) and chemistry of the other two clasts (one each from Rainy River Conglomerate and Barretts Formation) suggest derivation from the Brook Street Terrane. Similarity in stratigraphic age, depositional characteristics, granitoid clast ages and composition between Rainy River Conglomerate and Barretts Formation suggests that they are broadly correlative and collectively overlapped a combined Brook Street Terrane - Median Batholith (MTZ) before the Late Jurassic (147 +2 -1 Ma). Sedimentary overlap may also have continued across to Middle Jurassic conglomeratic strata in the Murihiku Terrane to the east of the Brook Street Terrane. A U-Pb zircon age of 261 +/- 2 Ma is reported for Pourakino Trondhjemite of the Brook Street Terrane. (author). 56 refs., 10 figs., 4 tabs

Unraveling the Timing of Fluid Migration and Trap Formation in the Brooks Range Foothills: A Key to Discovering Hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Catherine L. Hanks

2008-12-31

Naturally occurring fractures can play a key role in the evolution and producibility of a hydrocarbon accumulation. Understanding the evolution of fractures in the Brooks Range/Colville basin system of northern Alaska is critical to developing a better working model of the hydrocarbon potential of the region. This study addressed this problem by collecting detailed and regional data on fracture distribution and character, structural geometry, temperature, the timing of deformation along the Brooks Range rangefront and adjacent parts of the Colville basin, and the in situ stress distribution within the Colville basin. This new and existing data then were used to develop a model of how fractures evolved in northern Alaska, both spatially and temporally. The results of the study indicate that fractures formed episodically throughout the evolution of northern Alaska, due to a variety of mechanisms. Four distinct fracture sets were observed. The earliest fractures formed in deep parts of the Colville basin and in the underlying Ellesmerian sequence rocks as these rocks experienced compression associated with the growing Brooks Range fold-and-thrust belt. The orientation of these deep basin fractures was controlled by the maximum in situ horizontal stress in the basin at the time of their formation, which was perpendicular to the active Brooks Range thrust front. This orientation stayed consistently NS-striking for most of the early history of the Brooks Range and Colville basin, but changed to NW-striking with the development of the northeastern Brooks Range during the early Tertiary. Subsequent incorporation of these rocks into the fold-and-thrust belt resulted in overprinting of these deep basin fractures by fractures caused by thrusting and related folding. The youngest fractures developed as rocks were uplifted and exposed. While this general order of fracturing remains consistent across the Brooks Range and adjacent Colville basin, the absolute age at any one

Fourier-accelerated Langevin simulation of the frustrated XY model and simulation of the spinless and spin one-half Hubbard model

International Nuclear Information System (INIS)

Scheinine, A.L.

1992-01-01

The frustrated XY model was studied on a lattice, primarily to test Fourier transform acceleration technique for a phase transition having more field structure than just spinwaves and vortices. Also, the spinless Hubbard model without hopping was simulated using continuous variables for the auxiliary field that mediates coupling between fermions. Finally, spin one-half Hubbard model was studied with a technique that sampled the fermion occupation configurations. The frustrated two-dimensional XY model was simulated using the Langevin equation with Fourier transform acceleration. Speedup due to Fourier acceleration was measured for frustration one-half at the transition temperature. The unfrustrated XY model was also studied. For the frustrated case, only long-distance spin correlation and the autocorrelation of the spin showed significant speedup. The frustrated case has Ising-like domains. It was found that Fourier acceleration speeds the evolution of spinwaves but has negligible effect on the Ising-like domains. In the Hubbard model, fermion determinant weight factor in the partition function changes sign, causing large statistical fluctuations of observables. A technique was found for sampling configuration space using continuous auxiliary fields, despite energy barriers where the fermion determinant changes sign. For two-dimensional spinless Hubbard model with no hopping, an exact solution was found for a 4 x 4 lattice; which could be compared to numerical simulations. The sign problem remained, and was found to be related to the sign problem encountered when a discrete variable is used for the auxiliary field. For spin one-half Hubbard model, a Monte Carlo simulation was done in which the fermion occupation configurations were varied. Rather than integrate-out the fermions and make a numerical estimate of the sum over the auxiliary field, the auxiliary field was integrated-out and a numerical estimate was made of the sum over fermion configurations

Catapodium marinum (L.) Hubbard, Scirpus planifolius Grimm en Trifolium micranthum Viv. op Goeree

NARCIS (Netherlands)

Westhoff, V.; Leeuwen, van C.G.

1962-01-01

The mediterranean-atlantic species Catapodium marinum (L.) Hubbard reaches its northern limit on the continent in the Netherlands. Up to 1959 only 2 localities on the Dutch coast were known. In 1961 the species was discovered in large quantities on the brackish estuary shore of the island of Goeree,

Observations of HC5N and NH3 in Taurus

International Nuclear Information System (INIS)

Myers, P.C.; Ho, P.T.P.; Benson, P.J.

1979-01-01

Observations of HC 5 N lines toward TMC-2 indicate that it is a small (Lapprox.0.1 pc), dense (napprox.4 x 10 4 cm -3 ), low-mass (Mapprox.1 M/sub sun/) fragment in the Taurus complex, with velocity dispersion at the emission peak only about twice thermal (Δvapprox.0.2 km s -1 ). The HC 5 N emission region in TMC-2 has roughly half the projected area of that in TMC-1, and is more round than filamentary. The HC 5 N and NH 3 emission regions in TMC-2 are coincident, with N (HC 5 N)/N (NH 3 ) approx.0.1. The line width is much smaller than the free-fall width; the deduced values of L, n, and T satisfy the virial-theorem requirement for stable equilibrium. The temporary equilibrium of such fragments may serve to lengthen the time scales for formation of low-mass stars and long-chain molecules

Emulating the 1-dimensional Fermi-Hubbard model with superconducting qubits

Energy Technology Data Exchange (ETDEWEB)

Reiner, Jan-Michael; Marthaler, Michael; Schoen, Gerd [Institut fuer Theoretische Festkoerperphysik, Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe (Germany)

2016-07-01

A chain of qubits with both ZZ and XX couplings is described by a Hamiltonian which coincides with the Fermi-Hubbard model in one dimension. The qubit system can thus be used to study the quantum properties of this model. We investigate the specific implementation of such an analog quantum simulator by a chain of tunable Transmon qubits, where the ZZ interaction arises due to an inductive coupling and the XX interaction due to a capacitive coupling.

Fine Sediment Effects on Brook Trout Eggs in Laboratory Streams

Science.gov (United States)

David G. Argent; Patricia A. Flebbe

1999-01-01

This study was designed to determine effects of different fine sediments (0.43-0.85 mm in diameter) on survival of brook trout (Salvelinus fontinalis) eggs during early developmental stages under laboratory conditions. Intragravel permeability and dissolved oxygen declined with increasing fine sediment amounts. Survival at each developmental stage...

Characterizing the influence of highways on springtime NO2 and NH3 concentrations in regional forest monitoring plots

International Nuclear Information System (INIS)

Watmough, Shaun A.; McDonough, Andrew M.; Raney, Shanel M.

2014-01-01

Highways are major sources of nitrogen dioxide (NO 2 ) and ammonia (NH 3 ). In this study, springtime NO 2 and NH 3 concentrations were measured at 17 Ontario Forest Biomonitoring Network (OFBN) plots using passive samplers. Average springtime NO 2 concentrations were between 1.3 μg m −3 and 27 μg m −3 , and NH 3 concentrations were between 0.2 μg m −3 and 1.7 μg m −3 , although concentrations measured in May (before leaf out) were typically twice as high as values recorded in June. Average NO 2 concentrations, and to a lesser extent NH 3 , could be predicted by road density at all radii (around the plot) tested (500 m, 1000 m, 1500 m). Springtime NO 2 concentrations were predicted for a further 50 OFBN sites. Normalized plant/lichen N concentrations were positively correlated with estimated springtime NO 2 and NH 3 concentrations. Epiphytic foliose lichen richness decreased with increasing NO 2 and NH 3 , but vascular plant richness was positively related to estimated springtime NO 2 and NH 3 . - Highlights: • Springtime concentrations of NO 2 and NH 3 in Ontario forest plots vary greatly. • Concentrations of NO 2 and NH 3 can be predicted by surrounding road density. • Plant and lichen N concentrations are positively related to predicted NO 2 and NH 3 . • Epiphytic lichen richness in negatively related to NO 2 and NH 3 . • Vascular plant richness is positively related to NO 2 and NH 3 . - “Springtime concentrations of NO 2 and NH 3 at Ontario forest monitoring plots vary greatly and can be predicted by road density surrounding the plot”

Phase diagram of the Hubbard model with arbitrary band filling: renormalization group approach

International Nuclear Information System (INIS)

Cannas, Sergio A.; Cordoba Univ. Nacional; Tsallis, Constantino.

1991-01-01

The finite temperature phase diagram of the Hubbard model in d = 2 and d = 3 is calculated for arbitrary values of the parameter U/t and chemical potential μ using a quantum real space renormalization group. Evidence for a ferromagnetic phase at low temperatures is presented. (author). 15 refs., 5 figs

DMFT+Σ approach to disordered Hubbard model

International Nuclear Information System (INIS)

Kuchinskii, E. Z.; Sadovskii, M. V.

2016-01-01

We briefly review the generalized dynamic mean-field theory DMFT+Σ applied to both repulsive and attractive disordered Hubbard models. We examine the general problem of metal–insulator transition and the phase diagram in the repulsive case, as well as the BCS–BEC crossover region of the attractive model, demonstrating a certain universality of single-electron properties under disordering in both models. We also discuss and compare the results for the density of states and dynamic conductivity in the repulsive and attractive cases and the generalized Anderson theorem behavior of the superconducting critical temperature in the disordered attractive case. A brief discussion of the behavior of Ginzburg–Landau coefficients under disordering in the BCS–BEC crossover region is also presented.

Coulomb matrix elements in multi-orbital Hubbard models.

Science.gov (United States)

Bünemann, Jörg; Gebhard, Florian

2017-04-26

Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

NASA's Hydrogen Outpost: The Rocket Systems Area at Plum Brook Station

Science.gov (United States)

Arrighi, Robert S.

2016-01-01

"There was pretty much a general knowledge about hydrogen and its capabilities," recalled former researcher Robert Graham. "The question was, could you use it in a rocket engine? Do we have the technology to handle it? How will it cool? Will it produce so much heat release that we can't cool the engine? These were the questions that we had to address." The National Aeronautics and Space Administration's (NASA) Glenn Research Center, referred to historically as the Lewis Research Center, made a concerted effort to answer these and related questions in the 1950s and 1960s. The center played a critical role transforming hydrogen's theoretical potential into a flight-ready propellant. Since then NASA has utilized liquid hydrogen to send humans and robots to the Moon, propel dozens of spacecraft across the universe, orbit scores of satellite systems, and power 135 space shuttle flights. Rocket pioneers had recognized hydrogen's potential early on, but its extremely low boiling temperature and low density made it impracticable as a fuel. The Lewis laboratory first demonstrated that liquid hydrogen could be safely utilized in rocket and aircraft propulsion systems, then perfected techniques to store, pump, and cleanly burn the fuel, as well as use it to cool the engine. The Rocket Systems Area at Lewis's remote testing area, Plum Brook Station, played a little known, but important role in the center's hydrogen research efforts. This publication focuses on the activities at the Rocket Systems Area, but it also discusses hydrogen's role in NASA's space program and Lewis's overall hydrogen work. The Rocket Systems Area included nine physically modest test sites and three test stands dedicated to liquid-hydrogen-related research. In 1962 Cleveland Plain Dealer reporter Karl Abram claimed, "The rocket facility looks more like a petroleum refinery. Its test rigs sprout pipes, valves and tanks. During the night test runs, excess hydrogen is burned from special stacks in the best

Brook trout distributional response to unconventional oil and gas development: Landscape context matters

Science.gov (United States)

Merriam, Eric R.; Petty, J. Todd; Maloney, Kelly O.; Young, John A.; Faulkner, Stephen; Slonecker, Terry; Milheim, Lesley E.; Hailegiorgis, Atesmachew; Niles, Jonathan M.

2018-01-01

We conducted a large-scale assessment of unconventional oil and gas (UOG) development effects on brook trout (Salvelinus fontinalis) distribution. We compiled 2231 brook trout collection records from the Upper Susquehanna River Watershed, USA. We used boosted regression tree (BRT) analysis to predict occurrence probability at the 1:24,000 stream-segment scale as a function of natural and anthropogenic landscape and climatic attributes. We then evaluated the importance of landscape context (i.e., pre-existing natural habitat quality and anthropogenic degradation) in modulating the effects of UOG on brook trout distribution under UOG development scenarios. BRT made use of 5 anthropogenic (28% relative influence) and 7 natural (72% relative influence) variables to model occurrence with a high degree of accuracy [Area Under the Receiver Operating Curve (AUC) = 0.85 and cross-validated AUC = 0.81]. UOG development impacted 11% (n = 2784) of streams and resulted in a loss of predicted occurrence in 126 (4%). Most streams impacted by UOG had unsuitable underlying natural habitat quality (n = 1220; 44%). Brook trout were predicted to be absent from an additional 26% (n = 733) of streams due to pre-existing non-UOG land uses (i.e., agriculture, residential and commercial development, or historic mining). Streams with a predicted and observed (via existing pre- and post-disturbance fish sampling records) loss of occurrence due to UOG tended to have intermediate natural habitat quality and/or intermediate levels of non-UOG stress. Simulated development of permitted but undeveloped UOG wells (n = 943) resulted in a loss of predicted occurrence in 27 additional streams. Loss of occurrence was strongly dependent upon landscape context, suggesting effects of current and future UOG development are likely most relevant in streams near the probability threshold due to pre-existing habitat degradation.

NH4+-NH3 removal from simulated wastewater using UV-TiO2 photocatalysis: effect of co-pollutants and pH.

Science.gov (United States)

Vohra, M S; Selimuzzaman, S M; Al-Suwaiyan, M S

2010-05-01

The main objective of the present study was to investigate the efficiency of titanium dioxide (TiO2) assisted photocatalytic degradation (PCD) process for the removal of ammonium-ammonia (NH4(+)-NH3) from the aqueous phase and in the presence of co-pollutants thiosulfate (S2O3(2-)) and p-cresol (C6H4CH3OH) under varying mixed conditions. For the NH4(+)-NH3 only PCD experiments, results showed higher NH4 -NH3 removal at pH 12 compared to pH 7 and 10. For the binary NH4(+)-NH3/S2O3(2-) studies the respective results indicated a significant lowering in NH4(+)-NH3 PCD in the presence of S2O32- at pH 7/12 whereas at pH 10 a marked increase in NH4(+)-NH3 removal transpired. A similar trend was noted for the p-cresol/NH4(+)-NH3 binary system. Comparing findings from the binary (NH4(+)-NH3/S2O3(2-) and p-cresol/NH4(+)-NH3) and tertiary (NH4(+)-NH3/S2O3(2-)/p-cresol) systems, at pH 10, showed fastest NH4(+)-NH3 removal transpiring for the tertiary system as compared to the binary systems, whereas both the binary systems indicated comparable NH4(+)-NH3 removal trends. The respective details have been discussed.

Rydberb bonding in (NH4)2

International Nuclear Information System (INIS)

Boldyrev, A.I.; Simons, J.

1992-01-01

Chemical binding of two monovalent Rydberg species to form a singlet-state Rydberg dimer molecule is predicted to be possible Ab initio electronic structure methods that include electron correlation (at levels up through QCISD(T)/6-31++G** MP2(full)/6-31++G** + ZPE) are shown to be essential to achieving a proper description of such bonding. The (NH 4 ) molecule, selected as the prototype for this study, is shown to be bound with respect to its Rydberg-species fragments, 2NH 4 by 7.5-9.7 kcal/mol, depending on the level of treatment of electron correlation, and to be electronically stable (by ca.4 eV) with respect to (NH 4 ) 2 + at the neutral's equilibrium geometry. The (NH 4 ) 2 Rydberg dimer is thermodynamically unstable with respect to 2NH 3 + H 2 by 86-89 kcal/mol mol yet possesses all real vibrational frequencies; it is thus a metastable molecular held together by a weak Rydberg bond. The dissociation energy of the (NH 4 ) 2 + cation to form NH 4 + + NH 4 is found to be larger than that of the neutral (NH 4 ) 2 . 12 refs., 4 figs., 9 tabs

Hubbard U calculations for gap states in dilute magnetic semiconductors.

Science.gov (United States)

Fukushima, T; Katayama-Yoshida, H; Sato, K; Bihlmayer, G; Mavropoulos, P; Bauer, D S G; Zeller, R; Dederichs, P H

2014-07-09

On the basis of constrained density functional theory, we present ab initio calculations for the Hubbard U parameter of transition metal impurities in dilute magnetic semiconductors, choosing Mn in GaN as an example. The calculations are performed by two methods: (i) the Korringa-Kohn-Rostoker (KKR) Green function method for a single Mn impurity in GaN and (ii) the full-potential linearized augmented plane-wave (FLAPW) method for a large supercell of GaN with a single Mn impurity in each cell. By changing the occupancy of the majority t2 gap state of Mn, we determine the U parameter either from the total energy differences E(N + 1) and E(N - 1) of the (N ± 1)-electron excited states with respect to the ground state energy E(N), or by using the single-particle energies for n(0) ± 1/2 occupancies around the charge-neutral occupancy n0 (Janak's transition state model). The two methods give nearly identical results. Moreover the values calculated by the supercell method agree quite well with the Green function values. We point out an important difference between the 'global' U parameter calculated using Janak's theorem and the 'local' U of the Hubbard model.

Spatial structure of morphological and neutral genetic variation in Brook Trout

Science.gov (United States)

Kazyak, David C.; Hilderbrand, Robert H.; Keller, Stephen R.; Colaw, Mark C.; Holloway, Amanda E.; Morgan, Raymond P.; King, Timothy L.

2015-01-01

Brook Trout Salvelinus fontinalis exhibit exceptional levels of life history variation, remarkable genetic variability, and fine-scale population structure. In many cases, neighboring populations may be highly differentiated from one another to an extent that is comparable with species-level distinctions in other taxa. Although genetic samples have been collected from hundreds of populations and tens of thousands of individuals, little is known about whether differentiation at neutral markers reflects phenotypic differences among Brook Trout populations. We compared differentiation in morphology and neutral molecular markers among populations from four geographically proximate locations (all within 24 km) to examine how genetic diversity covaries with morphology. We found significant differences among and/or within streams for all three morphological axes examined and identified the source stream of many individuals based on morphology (52.3% classification efficiency). Although molecular and morphological differentiation among streams ranged considerably (mean pairwise FST: 0.023–0.264; pairwise PST: 0.000–0.339), the two measures were not significantly correlated. While in some cases morphological characters appear to have diverged to a greater extent than expected by neutral genetic drift, many traits were conserved to a greater extent than were neutral genetic markers. Thus, while Brook Trout exhibit fine-scale spatial patterns in both morphology and neutral genetic diversity, these types of biological variabilities are being structured by different ecological and evolutionary processes. The relative influences of genetic drift versus selection and phenotypic plasticity in shaping morphology appear to vary among populations occupying nearby streams.

The energy level alignment at the CH_3NH_3PbI_3/pentacene interface

International Nuclear Information System (INIS)

Ji, Gengwu; Zhao, Bin; Song, Fei; Zheng, Guanhaojie; Zhang, Xiaonan; Shen, Kongchao; Yang, Yingguo; Chen, Shi; Gao, Xingyu

2017-01-01

Highlights: • The Energy Level Alignment at the CH_3NH_3PbI_3/Pentacene Interface was resolved experimentally. • The downward band bending and the dipole found at the pentacene side would favorably drive holes away from the interface into pentacene. • A ∼0.7 eV offset between pentacene HOMO and CH_3NH_3PbI_3 VBM would be in favor of hole transfer whereas a ∼1.35 eV offset between pentacene LUMO and CH_3NH_3PbI_3 CBM should efficiently block the unwanted electron transfer from perovskite to pentacene. • Pentacene could be a viable hole transfer material candidate on perovskite to be explored in perovskite devices. - Abstract: Pentacene thin film on CH_3NH_3PbI_3 was studied by in-situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy to determine their interfacial energy level alignment. A 0.2 eV downward band bending together with a 0.1 eV interfacial dipole was found at the pentacene side, whereas there was no band bending found at the CH_3NH_3PbI_3 side. The offset between CH_3NH_3PbI_3 Valance Band Maximum (VBM) and pentacene Highest Occupied Molecular Orbital (HOMO) and that between CH_3NH_3PbI_3 Conduction Band Minimum (CBM) and pentacene Lowest Unoccupied Molecular Orbital (LUMO) was determined to be 0.7 and 1.35 eV, respectively. The band alignment at this interface is favor of efficient hole transfer, which suggests pentacene as a viable HTL candidate to be explored in perovskite solar cells.

Quantitative Analysis of Contributing Factors Affecting Patient Satisfaction in Family Medicine Service Clinics at Brooke Army Medical Center

Science.gov (United States)

2008-06-06

Predictors of patient satisfaction for Brooke Army Medical Center Family Medicine Service primary care clinics was performed. Data was obtained from...Factors Affecting Patient Satisfaction in Family Medicine Service Clinics at Brooke Army Medical Center Presented to MAJ Eric Schmacker, Ph.D. In...study. All patients ’ medical information was protected at all times and under no circumstances will be discussed or released to any outside agency

Desarrollo No Perturbativo para el Modelo de Hubbard Generalizado

Directory of Open Access Journals (Sweden)

Oscar P. Zandron

2010-01-01

Full Text Available Se extienden a un estado superconductor nuestros resultados previamente obtenidos para un estado normal en el marco del formalismo Lagrangiano. Se considera la expansión noperturbativa a N grande aplicada a un modelo generalizado de Hubbard describiendo N bandas degeneradas correlacionadas. Se obtienen la diagramática Feynman del modelo y se calculan y analizan las cantidades físicas renormalizadas. Nuestro propósito es obtener la corrección 1/N de los propagadores bosónico y fermiónico renormalizados cuando se tiene en cuenta un estado de condensación de pares de Cooper.

Rigorous derivation of the mean-field green functions of the two-band Hubbard model of superconductivity

International Nuclear Information System (INIS)

Adam, G.; Adam, S.

2007-01-01

The Green function (GF) equation of motion technique for solving the effective two-band Hubbard model of high-T c superconductivity in cuprates rests on the Hubbard operator (HO) algebra. We show that, if we take into account the invariance to translations and spin reversal, the HO algebra results in invariance properties of several specific correlation functions. The use of these properties allows rigorous derivation and simplification of the expressions of the frequency matrix (FM) and of the generalized mean-field approximation (GMFA) Green functions (GFs) of the model. For the normal singlet hopping and anomalous exchange pairing correlation functions which enter the FM and GMFA-GFs, the use of spectral representations allows the identification and elimination of exponentially small quantities. This procedure secures the reduction of the correlation order to the GMFA-GF expressions

A new NH 3 orbital of the NH 3/Ni(110) surface observed by metastable quenching spectroscopy

Science.gov (United States)

Lee, Lihwa; Arias, Jose; Hanrahan, Ciaran; Martin, Richard M.; Metiu, Horia

1986-01-01

By using metastable quenching spectroscopy we have found a new NH 3 filled orbital (in the language of one electron theory) for NH 3/Ni(110), located at the Fermi level of the surface. The orbital is not observed when NH 3 is adsorbed on Ni(110), but it is detected for NH 3 adsorbed on polycrystalline Al.

Competition between spin, charge, and bond waves in a Peierls-Hubbard model

International Nuclear Information System (INIS)

Venegas, P.A.; Henriquez, C.; Roessler, J.

1996-01-01

We study a one-dimensional extended Peierls-Hubbard model coupled to intracell and intercell phonons for a half-filled band. The calculations are made using the Hartree-Fock and adiabatic approximations for arbitrary temperature. In addition to static spin, charge, and bond density waves, we predict intermediate phases that lack inversion symmetry, and phase transitions that reduce symmetry on increasing temperature. copyright 1996 The American Physical Society

Penson-Kolb-Hubbard model: a renormalisation group study

International Nuclear Information System (INIS)

Bhattacharyya, Bibhas; Roy, G.K.

1995-01-01

The Penson-Kolb-Hubbard (PKH) model in one dimension (1d) by means of real space renormalisation group (RG) method for the half-filled band has been studied. Different phases are identified by studying the RG-flow pattern, the energy gap and different correlation functions. The phase diagram consists of four phases: a spin density wave (SDW), a strong coupling superconducting phase (SSC), a weak coupling superconducting phase (WSC) and a nearly metallic phase. For the negative value of the pair hopping amplitude introduced in this model it was found that the pair-pair correlation indicates a superconducting phase for which the centre-of-mass of the pairs move with a momentum π. (author). 7 refs., 4 figs

Crystal structure of [UO2(NH35]NO3·NH3

Directory of Open Access Journals (Sweden)

Patrick Woidy

2016-12-01

Full Text Available Pentaammine dioxide uranium(V nitrate ammonia (1/1, [UO2(NH35]NO3·NH3, was obtained in the form of yellow crystals from the reaction of caesium uranyl nitrate, Cs[UO2(NO33], and uranium tetrafluoride, UF4, in dry liquid ammonia. The [UO2]+ cation is coordinated by five ammine ligands. The resulting [UO2(NH35] coordination polyhedron is best described as a pentagonal bipyramid with the O atoms forming the apices. In the crystal, numerous N—H...N and N—H...O hydrogen bonds are present between the cation, anion and solvent molecules, leading to a three-dimensional network.

Structural determinants of NH3 and NH4+ transport by mouse Rhbg, a renal Rh glycoprotein.

Science.gov (United States)

Abdulnour-Nakhoul, Solange; Le, Trang; Rabon, Edd; Hamm, L Lee; Nakhoul, Nazih L

2016-12-01

Renal Rhbg is localized to the basolateral membrane of intercalated cells and is involved in NH 3 /NH 4 + transport. The structure of Rhbg is not yet resolved; however, a high-resolution crystal structure of AmtB, a bacterial homolog of Rh, has been determined. We aligned the sequence of Rhbg to that of AmtB and identified important sites of Rhbg that may affect transport. Our analysis positioned three conserved amino acids, histidine 183 (H183), histidine 342 (H342), and tryptophan 230 (W230), within the hydrophobic pore where they presumably serve to control NH 3 transport. A fourth residue, phenylalanine 128 (F128) was positioned at the upper vestibule, presumably contributing to recruitment of NH 4 + We generated three mutations each of H183, H342, W230, and F128 and expressed them in frog oocytes. Immunolabeling showed that W230 and F128 mutants were localized to the cell membrane, whereas H183 and H342 staining was diffuse and mostly intracellular. To determine function, we compared measurements of NH 3 /NH 4 + and methyl amine (MA)/methyl ammonium (MA + )-induced currents, intracellular pH, and surface pH (pHs) among oocytes expressing the mutants, Rhbg, or injected with H 2 O. In H183 and W230 mutants, NH 4 + -induced current and intracellular acidification were inhibited compared with that of Rhbg, and MA-induced intracellular alkalinization was completely absent. Expression of H183A or W230A mutants inhibited NH 3 /NH 4 + - and MA/MA + -induced decrease in pHs to the level observed in H 2 O-injected oocytes. Mutations of F128 did not significantly affect transport of NH 3 or NH 4 + These data demonstrated that mutating H183 or W230 caused loss of function but not F128. H183 and H342 may affect membrane expression of the transporter.

Crystal structure and characterization of the novel NH+⋯N hydrogen bonded polar crystal [NH2(CH2)4NH][BF4

International Nuclear Information System (INIS)

Wojtaś, M.; Gagor, A.; Czupiński, O.; Medycki, W.; Jakubas, R.

2012-01-01

Dielectric properties and phase transitions of the piperazinium tetrafluoroborate ([NH 2 (CH 2 ) 4 NH][BF 4 ], abbreviated as PFB) crystal are related to the one-dimensional arrangement of the cations linked by the bistable NH + ⋯N hydrogen bonds and molecular motions of the [BF 4 ] − units. The crystal structure of [NH 2 (CH 2 ) 4 NH][BF 4 ] is monoclinic at room temperature with the polar space group Pn. The polar/acentric properties of the room temperature phase IV have been confirmed by the piezoelectric and pyroelectric measurements. DSC measurements show that the compound undergoes three first-order structural phase transitions: at 421/411 K (heating/cooling), at 386/372 K and at 364/349 K. 1 H and 19 F NMR measurements indicate the reorientational motions of [BF 4 ] − anions and piperazinium(+) cations as well as the proton motion in the hydrogen-bonded chains of piperazine along the [001] direction. Over the phase I the isotropic reorientational motions or even self-diffusion of the cations and anions are expected. The conductivity measurements in the vicinity of the II–I PT indicate a superionic phase over the phase I. - Graphical abstract: It must be emphasized that the titled compound represents the first organic–inorganic simple salt containing the single-protonated piperazinium cation which was studied by means of the wide variety of experimental techniques. A survey of Cambridge Structural Database (CSD version 5.32 (November 2010) and updates (May 2011)) for structure containing the piperazinium cations yields 248 compounds with the doubly protonated piperazinium(2+) cations and only eight compounds with the singly protonated piperazinium(+) cations. Among these structures only one is the hybrid organic–inorganic material. This is piperazinium nitrate characterized structurally. The crystal packing of [NH 2 (CH 2 ) 4 NH][BF 4 ], phase IV. The dashed lines stand for the hydrogen bonds. The hydrogen bonds to BF4 groups are not included for

Crystal structure and characterization of the novel NH+⋯N hydrogen bonded polar crystal [NH2(CH2)4NH][BF4

Science.gov (United States)

Wojtaś, M.; Gaģor, A.; Czupiński, O.; Medycki, W.; Jakubas, R.

2012-03-01

Dielectric properties and phase transitions of the piperazinium tetrafluoroborate ([NH2(CH2)4NH][BF4], abbreviated as PFB) crystal are related to the one-dimensional arrangement of the cations linked by the bistable NH+⋯N hydrogen bonds and molecular motions of the [BF4]- units. The crystal structure of [NH2(CH2)4NH][BF4] is monoclinic at room temperature with the polar space group Pn. The polar/acentric properties of the room temperature phase IV have been confirmed by the piezoelectric and pyroelectric measurements. DSC measurements show that the compound undergoes three first-order structural phase transitions: at 421/411 K (heating/cooling), at 386/372 K and at 364/349 K. 1H and 19F NMR measurements indicate the reorientational motions of [BF4]- anions and piperazinium(+) cations as well as the proton motion in the hydrogen-bonded chains of piperazine along the [001] direction. Over the phase I the isotropic reorientational motions or even self-diffusion of the cations and anions are expected. The conductivity measurements in the vicinity of the II-I PT indicate a superionic phase over the phase I.

Communication: Equivalence between symmetric and antisymmetric stretching modes of NH3 in promoting H + NH3 → H2 + NH2 reaction

Science.gov (United States)

Song, Hongwei; Yang, Minghui; Guo, Hua

2016-10-01

Vibrational excitations of reactants sometimes promote reactions more effectively than the same amount of translational energy. Such mode specificity provides insights into the transition-state modulation of reactivity and might be used to control chemical reactions. We report here a state-of-the-art full-dimensional quantum dynamical study of the hydrogen abstraction reaction H + NH3 → H2 + NH2 on an accurate ab initio based global potential energy surface. This reaction serves as an ideal candidate to study the relative efficacies of symmetric and degenerate antisymmetric stretching modes. Strong mode specificity, particularly for the NH3 stretching modes, is demonstrated. It is further shown that nearly identical efficacies of the symmetric and antisymmetric stretching modes of NH3 in promoting the reaction can be understood in terms of local-mode stretching vibrations of the reactant molecule.

Conductivite dans le modele de Hubbard bi-dimensionnel a faible couplage

Science.gov (United States)

Bergeron, Dominic

Le modele de Hubbard bi-dimensionnel (2D) est souvent considere comme le modele minimal pour les supraconducteurs a haute temperature critique a base d'oxyde de cuivre (SCHT). Sur un reseau carre, ce modele possede les phases qui sont communes a tous les SCHT, la phase antiferromagnetique, la phase supraconductrice et la phase dite du pseudogap. Il n'a pas de solution exacte, toutefois, plusieurs methodes approximatives permettent d'etudier ses proprietes de facon numerique. Les proprietes optiques et de transport sont bien connues dans les SCHT et sont donc de bonne candidates pour valider un modele theorique et aider a comprendre mieux la physique de ces materiaux. La presente these porte sur le calcul de ces proprietes pour le modele de Hubbard 2D a couplage faible ou intermediaire. La methode de calcul utilisee est l'approche auto-coherente a deux particules (ACDP), qui est non-perturbative et inclue l'effet des fluctuations de spin et de charge a toutes les longueurs d'onde. La derivation complete de l'expression de la conductivite dans l'approche ACDP est presentee. Cette expression contient ce qu'on appelle les corrections de vertex, qui tiennent compte des correlations entre quasi-particules. Pour rendre possible le calcul numerique de ces corrections, des algorithmes utilisant, entre autres, des transformees de Fourier rapides et des splines cubiques sont developpes. Les calculs sont faits pour le reseau carre avec sauts aux plus proches voisins autour du point critique antiferromagnetique. Aux dopages plus faibles que le point critique, la conductivite optique presente une bosse dans l'infrarouge moyen a basse temperature, tel qu'observe dans plusieurs SCHT. Dans la resistivite en fonction de la temperature, on trouve un comportement isolant dans le pseudogap lorsque les corrections de vertex sont negligees et metallique lorsqu'elles sont prises en compte. Pres du point critique, la resistivite est lineaire en T a basse temperature et devient

Olemuse teater. Kantor ja Brook / Jan Kott ; tõlk. Eva-Liisa Linder

Index Scriptorium Estoniae

Kott, Jan

2004-01-01

T. Kantori lavastustest "Surnud klass" ja "Wielopole Wielopole" ning P. Brooki "Carmeni" lavastusest. Tõlgitud raamatust : Jan Kott. The Theatre of Essence: Kantor and Brook.- The Theatre of Essence and other Essays. Evanston, Northwestern University Press, 1984, lk. 159-165

Numerical calculation of spectral functions of the Bose-Hubbard model using bosonic dynamical mean-field theory

Czech Academy of Sciences Publication Activity Database

Panas, J.; Kauch, Anna; Kuneš, Jan; Vollhardt, D.; Byczuk, K.

2015-01-01

Roč. 92, č. 4 (2015), "045102-1"-"045102-9" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : Bose-Hubbard model * Bose-Einstein condensation * superfluidity Subject RIV: BE - Theoretical Physics Impact factor: 3.736, year: 2014

Unified one-band Hubbard model for magnetic and electronic spectra of the parent compounds of cuprate superconductors

Science.gov (United States)

Dalla Piazza, B.; Mourigal, M.; Guarise, M.; Berger, H.; Schmitt, T.; Zhou, K. J.; Grioni, M.; Rønnow, H. M.

2012-03-01

Using low-energy projection of the one-band t-t'-t'' Hubbard model we derive an effective spin Hamiltonian and its spin-wave expansion to order 1/S. We fit the spin-wave dispersion of several parent compounds to the high-temperature superconducting cuprates La2CuO4, Sr2CuO2Cl2, and Bi2Sr2YCu2O8. Our accurate quantitative determination of the one-band Hubbard model parameters allows prediction and comparison to experimental results. Among those we discuss the two-magnon Raman peak line shape, the K-edge resonant inelastic x-ray scattering 500-meV peak, and the high-energy kink in the angle-resolved photoemission spectroscopy quasiparticle dispersion, also known as the waterfall feature.

Breakdown of quasiparticle picture in the low-density limit of the 1D Hubbard model

International Nuclear Information System (INIS)

Qin Shaojin; Qian Tiezheng; Su Zhaobin

1995-03-01

Using the finite-size scaling of results obtained by exact diagonalization, we study the low-density limit of the one-dimensional Hubbard model. Calculating the quasiparticle weight, we demonstrate that for a given particle number N and system size L, there always exists a crossover point U c separating the Fermi-liquid (U c ) and non-Fermi-liquid (U > U c ) regimes (U is the Hubbard repulsion). We find that for a fixed N, U c is inversely proportional to L, keeping U c L/t constant (with t as the hopping integral), as L is large enough. It follows that in the low-density (in fact vanishing density) limit L → ∞, U c → 0, so the system is always in non-Fermi-liquid regime as long as U > 0. We show that our numerical results are consistent with the Bethe ansatz solution. (author). 11 refs, 3 figs

Aquaporin 4 as a NH3 Channel

DEFF Research Database (Denmark)

Assentoft, Mette; Kaptan, Shreyas; Schneider, Hans-Peter

2016-01-01

-brain-interface, participate in the exchange of ammonia, which is required to sustain the glutamate-glutamine cycle. Here we observe that AQP4-expressing Xenopus oocytes display a reflection coefficient NH4Cl at pH 8.0, at which pH an increased amount of the ammonia occurs in the form of NH3 Taken together with an NH4......Cl-mediated intracellular alkalization (or lesser acidification) of AQP4-expressing oocytes, these data suggest that NH3 is able to permeate the pore of AQP4. Exposure to NH4Cl increased the membrane currents to a similar extent in uninjected oocytes and in oocytes expressing AQP4, indicating...... that the ionic NH4 (+) did not permeate AQP4. Molecular dynamics simulations revealed partial pore permeation events of NH3 but not of NH4 (+) and a reduced energy barrier for NH3 permeation through AQP4 compared with that of a cholesterol-containing lipid bilayer, suggesting AQP4 as a favored transmembrane...

Heterogeneous reactions between ions NH3+and NH+andhydrocarbons adsorbed on a tungsten surface.Formation of HCN+in NH+-surface hydrocarbon collisions

Czech Academy of Sciences Publication Activity Database

Harnisch, M.; Scheier, P.; Herman, Zdeněk

2015-01-01

Roč. 392, DEC 2015 (2015), s. 139-144 ISSN 1387-3806 Institutional support: RVO:61388955 Keywords : ion-surface collisions * NH3+ and NH+projectiles * surface hydrocarbons Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.183, year: 2015

Fermi surface of the one-dimensional Hubbard model. Finite-size effects

Energy Technology Data Exchange (ETDEWEB)

Bourbonnais, C.; Nelisse, H.; Reid, A.; Tremblay, A.M.S. (Dept. de Physique and Centre de Recherche en Physique du Solide (C.R.P.S.), Univ. de Sherbrooke, Quebec (Canada))

1989-12-01

The results reported here, using a standard numerical algorithm and a simple low temperature extrapolation, appear consistent with numerical results of Sorella et al. for the one-dimensional Hubbard model in the half-filled and quarter-filled band cases. However, it is argued that the discontinuity at the Fermi level found in the quarter-filled case is likely to come from the zero-temperature finite-size dependence of the quasiparticle weight Z, which is also discussed here. (orig.).

Rapid Ammonia Gas Transport Accounts for Futile Transmembrane Cycling under NH3/NH4+ Toxicity in Plant Roots1[C][W

Science.gov (United States)

Coskun, Devrim; Britto, Dev T.; Li, Mingyuan; Becker, Alexander; Kronzucker, Herbert J.

2013-01-01

Futile transmembrane NH3/NH4+ cycling in plant root cells, characterized by extremely rapid fluxes and high efflux to influx ratios, has been successfully linked to NH3/NH4+ toxicity. Surprisingly, the fundamental question of which species of the conjugate pair (NH3 or NH4+) participates in such fluxes is unresolved. Using flux analyses with the short-lived radioisotope 13N and electrophysiological, respiratory, and histochemical measurements, we show that futile cycling in roots of barley (Hordeum vulgare) seedlings is predominately of the gaseous NH3 species, rather than the NH4+ ion. Influx of 13NH3/13NH4+, which exceeded 200 µmol g–1 h–1, was not commensurate with membrane depolarization or increases in root respiration, suggesting electroneutral NH3 transport. Influx followed Michaelis-Menten kinetics for NH3 (but not NH4+), as a function of external concentration (Km = 152 µm, Vmax = 205 µmol g–1 h–1). Efflux of 13NH3/13NH4+ responded with a nearly identical Km. Pharmacological characterization of influx and efflux suggests mediation by aquaporins. Our study fundamentally revises the futile-cycling model by demonstrating that NH3 is the major permeating species across both plasmalemma and tonoplast of root cells under toxicity conditions. PMID:24134887

Distinct solutions of infinite U Hubbard model through nested Bethe ansatz and Gutzwiller projection operator approach

International Nuclear Information System (INIS)

Mishra, A.K.; Kishore, R.

2009-01-01

The exact nested Bethe ansatz solution for the one dimensional (1-D) U infinity Hubbard model show that the state vectors are a product of spin-less fermion and spin wavefunctions, or an appropriate superposition of such factorized wavefunctions. The spin-less fermion component of the wavefunctions ensures no double occupancy at any site. It had been demonstrated that the nested Bethe ansatz wavefunctions in the U infinity limit obey orthofermi statistics. Gutzwiller projection operator formalism is the another well known technique employed to handle U infinity Hubbard model. In general, this approach does not lead to spin-less fermion wavefunctions. Therefore, the nested Bethe ansatz and Gutzwiller projection operator approach give rise to different kinds of the wavefunctions for the U infinity limit of 1-D Hubbard Hamiltonian. To compare the consequences of this dissimilarity in the wavefunctions, we have obtained the ground state energy of a finite system consisting of three particles on a four site closed chain. It is shown that in the nested Bethe ansatz implemented through orthofermion algebra, all the permissible 2 3 spin configurations are degenerate in the ground state. This eight fold degeneracy of the ground state is absent in the Gutzwiller projection operator approach. This finding becomes relevant in the context of known exact U infinity results, which require that all the energy levels are 2 N -fold degenerate for an N particle system.

Magnetic properties of Hubbard-sigma model with three-dimensionality

International Nuclear Information System (INIS)

Yamamoto, Hisashi; Tatara, Gen; Ichinose, Ikuo; Matsui, Tetsuo.

1990-05-01

It has been broadly accepted that the magnetism may play an important role in the high-T c superconductivity in the lamellar CuO 2 materials. In this paper, based on a Hubbard-inspired CP 1 or S 2 nonlinear σ model, we give a quantitative study of some magnetic properties in and around the Neel ordered state of three-dimensional quantum antiferromagnets such as La 2 CuO 4 with and without small hole doping. Our model is a (3+1) dimensional effective field theory describing the low energy spin dynamics of a three-dimensional Hubbard model with a very weak interlayer coupling. The effect of hole dynamics is taken into account in the leading approximation by substituting the CP 1 coupling and the spin-wave velocity with 'effective' ones determined by the concentration and the one-loop correction of hole fermions. Stationary-phase equations for the one-loop effective potential of S 2 model are analyzed. Based on them, various magnetic properties of the system, such as the behavior of Neel temperature, spin correlation length, staggered magnetization, specific heat and susceptibility as functions of anisotropic parameter, temperature, etc. are investigated in detail. The results show that our anisotropic field theory model with certain values of parameters gives a good description of the magnetic properties in both the ordered and the disordered phases indicated by experiments on La 2 CuO 4 . The part of the above results is supported by the renormalization-group analysis. In the doped case it is observed that the existence of holes destroys the long-range order and their hopping effect is large. (author)

Metallothionein in brook trout (salvelinus fontinalis) as a biological indicator of inorganic chemical contaminant stress

International Nuclear Information System (INIS)

Hamilton, S.J.

1985-01-01

A technique for quantifying metallothionein was evaluated with fish tissue. Adult brook trout were administered 3 mg 109 cadmium/kg body weight by intraperitoneal injection over a 5 day period to induce metallothionein concentrations in liver and kidney tissues. The method was modified so cadmium bound to unsaturated metallothionein could be measured. The method gave precise measurements and was used to evaluate the toxicological significant of metallothionein in two 30-day chronic toxicity studies of cadmium on brook trout. In particular, metallothionein was evaluated as a biological indicator of inorganic chemical stress in brook trout. Pathological effects in animals resulting from exposure to inorganic chemicals is thought to occur when metallothionein's sequestering ability is exceeded; a phenomenon explained by the spillover hypothesis. The presence of free cadmium in tissues of fish from all exposures suggests metallothionein was not saturated with cadmium perhaps because of competition for binding sites on metallothionein between cadmium and other inorganic chemicals such as copper and zinc. Based on results of the two toxicity studies, the spillover hypothesis should be redefined to a continuum of toxic responses to varying balances between the relative abundance of inorganic chemicals present and their respective binding affinities for metallothionein

Parallel Changes in Intracellular Water Volume and pH Induced by NH3/NH4+ Exposure in Single Neuroblastoma Cells

Directory of Open Access Journals (Sweden)

Víctor M. Blanco

2013-12-01

Full Text Available Background: Increased blood levels of ammonia (NH3 and ammonium (NH4+, i.e. hyperammonemia, leads to cellular brain edema in humans with acute liver failure. The pathophysiology of this edema is poorly understood. This is partly due to incomplete understanding of the osmotic effects of the pair NH3/NH4+ at the cellular and molecular levels. Cell exposure to solutions containing NH3/NH4+ elicits changes in intracellular pH (pHi, which can in turn affect cell water volume (CWV by activating transport mechanisms that produce net gain or loss of solutes and water. The occurrence of CWV changes caused by NH3/NH4+ has long been suspected, but the mechanisms, magnitude and kinetics of these changes remain unknown. Methods: Using fluorescence imaging microscopy we measured, in real time, parallel changes in pHi and CWV caused by brief exposure to NH3/NH4+ of single cells (N1E-115 neuroblastoma or NG-108 neuroblastoma X glioma loaded with the fluorescent indicator BCECF. Changes in CWV were measured by exciting BCECF at its intracellular isosbestic wavelength (∼438 nm, and pHi was measured ratiometrically. Results: Brief exposure to isosmotic solutions (i.e. having the same osmolality as that of control solutions containing NH4Cl (0.5- 30 mM resulted in a rapid, dose-dependent swelling, followed by isosmotic regulatory volume decrease (iRVD. NH4Cl solutions in which either extracellular [NH3] or [NH4+] was kept constant while the other was changed by varying the pH of the solution, demonstrated that [NH3]o rather than [NH4+]o is the main determinant of the NH4Cl-induced swelling. The iRVD response was sensitive to the anion channel blocker NPPB, and partly dependent on external Ca2+. Upon removal of NH4Cl, cells shrank and displayed isosmotic regulatory volume increase (iRVI. Regulatory volume responses could not be activated by comparable CWV changes produced by anisosmotic solutions, suggesting that membrane stretch or contraction by themselves are

Critical slowing down in driven-dissipative Bose-Hubbard lattices

Science.gov (United States)

Vicentini, Filippo; Minganti, Fabrizio; Rota, Riccardo; Orso, Giuliano; Ciuti, Cristiano

2018-01-01

We explore theoretically the dynamical properties of a first-order dissipative phase transition in coherently driven Bose-Hubbard systems, describing, e.g., lattices of coupled nonlinear optical cavities. Via stochastic trajectory calculations based on the truncated Wigner approximation, we investigate the dynamical behavior as a function of system size for one-dimensional (1D) and 2D square lattices in the regime where mean-field theory predicts nonlinear bistability. We show that a critical slowing down emerges for increasing number of sites in 2D square lattices, while it is absent in 1D arrays. We characterize the peculiar properties of the collective phases in the critical region.

Ferromagnetism in the Hubbard model: a modified perturbation theory

International Nuclear Information System (INIS)

Gangadhar Reddy, G.; Ramakanth, A.; Nolting, W.

2005-01-01

We study the possibility of ferromagnetism in the Hubbard model using the modified perturbation theory. In this approach an Ansatz is made for the self-energy of the electron which contains the second order contribution developed around the Hartree-Fock solution and two parameters. The parameters are fixed by using a moment method. This self energy satisfies several known exact limiting cases. Using this self energy, the Curie temperature T c as a function of band filling n is investigated. It is found that T c falls off abruptly as n approaches half filling. The results are in qualitative agreement with earlier calculations using other approximation schemes. (author)

Filling-driven Mott transition in SU(N ) Hubbard models

Science.gov (United States)

Lee, Seung-Sup B.; von Delft, Jan; Weichselbaum, Andreas

2018-04-01

We study the filling-driven Mott transition involving the metallic and paramagnetic insulating phases in SU (N ) Fermi-Hubbard models, using the dynamical mean-field theory and the numerical renormalization group as its impurity solver. The compressibility shows a striking temperature dependence: near the critical end-point temperature, it is strongly enhanced in the metallic phase close to the insulating phase. We demonstrate that this compressibility enhancement is associated with the thermal suppression of the quasiparticle peak in the local spectral functions. We also explain that the asymmetric shape of the quasiparticle peak originates from the asymmetry in the dynamics of the generalized doublons and holons.

Exact diagonalization: the Bose-Hubbard model as an example

International Nuclear Information System (INIS)

Zhang, J M; Dong, R X

2010-01-01

We take the Bose-Hubbard model to illustrate exact diagonalization techniques in a pedagogical way. We follow the route of first generating all the basis vectors, then setting up the Hamiltonian matrix with respect to this basis and finally using the Lanczos algorithm to solve low lying eigenstates and eigenvalues. Emphasis is placed on how to enumerate all the basis vectors and how to use the hashing trick to set up the Hamiltonian matrix or matrices corresponding to other quantities. Although our route is not necessarily the most efficient one in practice, the techniques and ideas introduced are quite general and may find use in many other problems.

Changing climate increases discharge and attenuates its seasonal distribution in the northeastern United States

OpenAIRE

Rouzbeh Berton; Charles T. Driscoll; David G. Chandler

2016-01-01

Study region: The Hubbard Brook Experimental Forest is well-established as a Long-Term Ecological Research (LTER) site for climate change and anthropogenic impacts studies on hydrological processes. It is located at the headwater regions of the Merrimack Watershed, the fourth largest basin in New England, USA. The watershed is mostly forested (67%) with some developed regions (16%). Study focus: We assessed the scale-dependency of streamflow response to climate variation, river regulation,...

Spiral magnetism in the single-band Hubbard model: the Hartree-Fock and slave-boson approaches.

Science.gov (United States)

Igoshev, P A; Timirgazin, M A; Gilmutdinov, V F; Arzhnikov, A K; Irkhin, V Yu

2015-11-11

The ground-state magnetic phase diagram is investigated within the single-band Hubbard model for square and different cubic lattices. The results of employing the generalized non-correlated mean-field (Hartree-Fock) approximation and generalized slave-boson approach by Kotliar and Ruckenstein with correlation effects included are compared. We take into account commensurate ferromagnetic, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as phase separation into magnetic phases of different types, which was often lacking in previous investigations. It is found that the spiral states and especially ferromagnetism are generally strongly suppressed up to non-realistically large Hubbard U by the correlation effects if nesting is absent and van Hove singularities are well away from the paramagnetic phase Fermi level. The magnetic phase separation plays an important role in the formation of magnetic states, the corresponding phase regions being especially wide in the vicinity of half-filling. The details of non-collinear and collinear magnetic ordering for different cubic lattices are discussed.

Synthesis, Resistivity, and Thermal Properties of the Cubic Perovskite NH 2CH=NH 2SnI 3and Related Systems

Science.gov (United States)

Mitzi, D. B.; Liang, K.

1997-12-01

Combining concentrated hydriodic acid solutions of tin(II) iodide and formamidine acetate in an inert atmosphere results in the precipitation of a new conducting organic-inorganic compound, NH 2CH=NH 2SnI 3, which at room temperature adopts a cubic perovskite structure. The lattice constant for NH 2CH=NH 2SnI 3is found to be a=6.316(1) Å, which is approximately 1.2% larger than that for the isostructural compound CH 3NH 3SnI 3. The electrical resistivity of a pressed pellet of the new compound exhibits semimetallic temperature dependence from 10 to 300 K, with evidence of a structural transition at approximately 75 K. NH 2CH=NH 2SnI 3begins to slowly decompose in an inert atmosphere at temperatures as low as 200°C, with bulk decomposition/melting occurring above 300°C. The properties of the formamidinium-based perovskite are compared with those of the related cubic (at room temperature) perovskite CH 3NH 3SnI 3and the mixed-cation system (CH 3NH 3) 1- x(NH 2CH=NH 2) xSnI 3.

Real-time observation of formation and relaxation dynamics of NH4 in (CH3OH)m(NH3)n clusters.

Science.gov (United States)

Yamada, Yuji; Nishino, Yoko; Fujihara, Akimasa; Ishikawa, Haruki; Fuke, Kiyokazu

2009-03-26

The formation and relaxation dynamics of NH4(CH3OH)m(NH3)n clusters produced by photolysis of ammonia-methanol mixed clusters has been observed by a time-resolved pump-probe method with femtosecond pulse lasers. From the detailed analysis of the time evolutions of the protonated cluster ions, NH4(+)(CH3OH)m(NH3)n, the kinetic model has been constructed, which consists of sequential three-step reaction: ultrafast hydrogen-atom transfer producing the radical pair (NH4-NH2)*, the relaxation process of radical-pair clusters, and dissociation of the solvated NH4 clusters. The initial hydrogen transfer hardly occurs between ammonia and methanol, implying the unfavorable formation of radical pair, (CH3OH2-NH2)*. The remarkable dependence of the time constants in each step on the number and composition of solvents has been explained by the following factors: hydrogen delocalization within the clusters, the internal conversion of the excited-state radical pair, and the stabilization of NH4 by solvation. The dependence of the time profiles on the probe wavelength is attributed to the different ionization efficiency of the NH4(CH3OH)m(NH3)n clusters.

Influence of spin and charge fluctuations on spectra of the two-dimensional Hubbard model

Science.gov (United States)

Sherman, A.

2018-05-01

The influence of spin and charge fluctuations on spectra of the two-dimensional fermionic Hubbard model is considered using the strong coupling diagram technique. Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the ranges of Hubbard repulsions , temperatures and electron concentrations with t the intersite hopping constant. For all considered U the system exhibits a transition to the long-range antiferromagnetic order at . At the same time no indication of charge ordering is observed. Obtained solutions agree satisfactorily with results of other approaches and obey moments sum rules. In the considered region of the U-T plane, the curve separating metallic solutions passes from at the highest temperatures to U  =  2t at for half-filling. If only short-range fluctuations are allowed for the remaining part of this region is occupied by insulating solutions. Taking into account long-range fluctuations leads to strengthening of maxima tails, which transform a part of insulating solutions into bad-metal states. For low T, obtained results allow us to trace the gradual transition from the regime of strong correlations with the pronounced four-band structure and well-defined Mott gap for to the Slater regime of weak correlations with the spectral intensity having a dip along the boundary of the magnetic Brillouin zone due to an antiferromagnetic ordering for . For and doping leads to the occurrence of a pseudogap near the Fermi level, which is a consequence of the splitting out of a narrow band from a Hubbard subband. Obtained spectra feature waterfalls and Fermi arcs, which are similar to those observed in hole-doped cuprates.

The evolution of the science of Bear Brook Watershed in Maine, USA

Czech Academy of Sciences Publication Activity Database

Norton, S. A.; Fernandez, I. J.; Kahl, J. S.; Rustad, L. E.; Navrátil, Tomáš; Almquist, H.

2010-01-01

Roč. 171, 1/4 (2010), s. 3-21 ISSN 0167-6369 Institutional research plan: CEZ:AV0Z30130516 Keywords : Bear Brook Watershed in Maine * acidification * stream * soil * nitrogen * sulfur * phosphorus * base cations Subject RIV: DD - Geochemistry Impact factor: 1.436, year: 2010

Edge-Corrected Mean-Field Hubbard Model: Principle and Applications in 2D Materials

Directory of Open Access Journals (Sweden)

Xi Zhang

2017-05-01

Full Text Available This work reviews the current progress of tight-binding methods and the recent edge-modified mean-field Hubbard model. Undercoordinated atoms (atoms not fully coordinated exist at a high rate in nanomaterials with their impact overlooked. A quantum theory was proposed to calculate electronic structure of nanomaterials by incorporating bond order-length-strength (BOLS correlation to mean-field Hubbard model, i.e., BOLS-HM. Consistency between the BOLS-HM calculation and density functional theory (DFT calculation on 2D materials verified that (i bond contractions and potential well depression occur at the edge of graphene, phosphorene, and antimonene nanoribbons; (ii the physical origin of the band gap opening of graphene, phosphorene, and antimonene nanoribbons lays in the enhancement of edge potentials and hopping integrals due to the shorter and stronger bonds between undercoordinated atoms; (iii the band gap of 2D material nanoribbons expand as the width decreases due to the increasing under-coordination effects of edges which modulates the conductive behaviors; and (iv non-bond electrons at the edges and atomic vacancies of 2D material accompanied with the broken bond contribute to the Dirac-Fermi polaron (DFP with a local magnetic moment.

Stony Brook's Graduate Courses in Clear, Vivid, Conversational Communication

Science.gov (United States)

Bass, E.

2011-12-01

Graduate students in the sciences at Stony Brook University are taking for-credit courses to learn to communicate more effectively about science with people outside their disciplines, including public officials, the press, students, potential funders and employers, colleagues in other fields, and the general public. Five Communicating Science courses are offered; two more will be added in January, 2012. The courses are offered by the School of Journalism and developed by the Center for Communicating Science (CCS). This interdisciplinary center was founded in 2009, with the participation of Alan Alda, the actor, writer, director and longtime advocate for science, who is a Visiting Professor at Stony Brook. At the core of the program are three 1-credit (14-hour) modules that rely on experiential learning, repeated practice and immediate, interactive feedback. In Distilling Your Message, students practice speaking clearly, vividly and conversationally about their work at different levels of complexity and formality to different audiences, using storytelling techniques where appropriate. In Writing for the Public, they extend these skills into writing. In Improvisation for Scientists, the most unconventional of the courses, students play improvisational theater games to help themselves connect more directly, personally and responsively with their audiences. In their first two semesters, the courses are expected to serve about 90 students, taking a total of about 180 credits. Most of the courses have filled quickly, mixing master's and doctoral students from more than a dozen fields, including marine and atmospheric sciences. Three to six credits of Communicating Science courses are required for students in two programs, an MA in Marine Conservation and Policy and an Advanced Certificate in Health Communications. The content and methods of the courses are based largely on lessons learned from evaluations of all-day workshops that CCS has conducted for more than 250

Coexistence of incommensurate magnetism and superconductivity in the two-dimensional Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Yamase, Hiroyuki [Max Planck Institute for Solid State Research, Stuttgart (Germany); National Institute for Materials Science, Tsukuba (Japan); Eberlein, Andreas [Max Planck Institute for Solid State Research, Stuttgart (Germany); Department of Physics, Harvard University, Cambridge (United States); Metzner, Walter [Max Planck Institute for Solid State Research, Stuttgart (Germany)

2016-07-01

We analyze the competition of magnetism and superconductivity in the two-dimensional Hubbard model with a moderate interaction strength, including the possibility of incommensurate spiral magnetic order. Using an unbiased renormalization group approach, we compute magnetic and superconducting order parameters in the ground state. In addition to previously established regions of Neel order coexisting with d-wave superconductivity, the calculations reveal further coexistence regions where superconductivity is accompanied by incommensurate magnetic order.

Phase diagram of 2D Hubbard model by simulated annealing mean field approximation

International Nuclear Information System (INIS)

Kato, Masaru; Kitagaki, Takashi

1991-01-01

In order to investigate the stable magnetic structure of the Hubbard model on a square lattice, we utilize the dynamical simulated annealing method which proposed by R. Car and M. Parrinello. Results of simulations on a 10 x 10 lattice system with 80 electrons under assumption of collinear magnetic structure that the most stable state is incommensurate spin density wave state with periodic domain wall. (orig.)

Towards an understanding of the large-U Hubbard model and a theory for high-temperature superconductors

International Nuclear Information System (INIS)

Hsu, T.C.T.

1989-01-01

This thesis describes work on a large-U Hubbard model theory for high temperature superconductors. After an introduction to recent developments in the field, the author reviews experimental results. At the same time he introduces the holon-spinon model and comment on its successes and shortcomings. Using this heuristic model he then describes a holon pairing theory of superconductivity and list some experimental evidence for this interlayer coupling theory. The latter part of the thesis is devoted to projected fermion mean field theories. They are introduced by applying this theory and some recently developed computational techniques to anisotropic antiferromagnets. This scheme is shown to give quantitatively good results for the two dimensional square lattice Heisenberg AFM. The results have definite implications for a spinon theory of quantum antiferromagnets. Finally he studies flux phases and other variational prescriptions for obtaining low lying states of the Hubbard model

Effect of chemical treatment on the electrochemical properties of Li1.2NixMn0.8-xO2 (x = 0.2 and 0.25) in lithium-ion batteries

Science.gov (United States)

Konishi, Hiroaki; Hirano, Tatsumi; Takamatsu, Daiko; Gunji, Akira; Feng, Xiaoliang; Furutsuki, Sho; Okumura, Takefumi; Terada, Shohei

2018-02-01

The effect of chemical treatment using (NH4)2SO4 on the electrochemical properties of Li1.2Ni0.2Mn0.6O2 and Li1.2Ni0.25Mn0.55O2 was investigated. The treatment was effective in improving the Coulombic efficiency and discharge capacity of a Li1.2Ni0.2Mn0.6O2 cathode, but treatment with too much (NH4)2SO4 degraded the cathode's electrochemical performance. The effect of (NH4)2SO4 treatment on the charge-discharge reaction mechanism of Li1.2Ni0.2Mn0.6O2 was investigated by evaluating reaction potential, particle configuration, and oxidation state of transition metal. The experimental results indicated that the changes in the electrochemical performance of the treated cathodes were attributed to the changes in the surface state and of the element contributing to the redox reaction. Treatment with an appropriate amount of (NH4)2SO4 also improved the electrochemical performance of the high-nickel-content lithium-rich layer-structured cathode material Li1.2Ni0.25Mn0.55O2.

Hole-hole correlations in the U=∞ limit of the Hubbard model and the stability of the Nagaoka state

International Nuclear Information System (INIS)

Long, M.W.; Zotos, X.

1993-01-01

We use exact diagonalization in order to study the infinite-U limit of the two-dimensional Hubbard model. As well as looking at single-particle correlations, such as n kσ =left-angle c kσ † c kσ right-angle, we also study N-particle correlation functions, which compare the relative positions of all the particles in different models. In particular we study 16- and 18-site clusters and compare the charge correlations in the Hubbard model with those of spinless fermions and hard-core bosons. We find that although low densities of holes favor a ''locally ferromagnetic'' fermionic description, the correlations at larger densities resemble those of pure hard-core bosons surprisingly well

Intersite electron correlations in a Hubbard model on inhomogeneous lattices

International Nuclear Information System (INIS)

Takemori, Nayuta; Koga, Akihisa; Hafermann, Hartmut

2016-01-01

We study intersite electron correlations in the half-filled Hubbard model on square lattices with periodic and open boundary conditions by means of a real-space dual fermion approach. By calculating renormalization factors, we clarify that nearest-neighbor intersite correlations already significantly reduce the critical interaction. The Mott transition occurs at U/t ∼ 6.4, where U is the interaction strength and t is the hopping integral. This value is consistent with quantum Monte Carlo results. It shows the importance of short-range intersite correlations, which are taken into account in the framework of the real-space dual fermion approach. (paper)

Multiple mobility edges in a 1D Aubry chain with Hubbard interaction in presence of electric field: Controlled electron transport

Science.gov (United States)

Saha, Srilekha; Maiti, Santanu K.; Karmakar, S. N.

2016-09-01

Electronic behavior of a 1D Aubry chain with Hubbard interaction is critically analyzed in presence of electric field. Multiple energy bands are generated as a result of Hubbard correlation and Aubry potential, and, within these bands localized states are developed under the application of electric field. Within a tight-binding framework we compute electronic transmission probability and average density of states using Green's function approach where the interaction parameter is treated under Hartree-Fock mean field scheme. From our analysis we find that selective transmission can be obtained by tuning injecting electron energy, and thus, the present model can be utilized as a controlled switching device.

Can nutrient limitations explain low and declining white spruce growth near the Arctic treeline in the eastern Brooks Range, Alaska?

Science.gov (United States)

Ellison, S.; Sullivan, P. F.

2014-12-01

The position of the Arctic treeline is of critical importance for global carbon cycling and surface energy budgets. However, controls on tree growth at treeline remain uncertain. In the Alaskan Brooks Range, 20th century warming has caused varying growth responses among treeline trees, with trees in the west responding positively, while trees in the east have responded negatively. The prevailing explanation of this trend ascribes the negative growth response to warming-induced drought stress in the eastern Brooks Range. However, recent measurements of carbon isotope discrimination in tree rings, xylem sap flow and needle gas exchange suggest that drought stress cannot explain these regional growth declines. Additionally, evidence from the western Brooks Range suggests that nutrient availability, rather than drought stress, may be the proximate control on tree growth. In this study, we investigated the hypothesis that low and declining growth of eastern Brooks Range trees is due to low and declining soil nutrient availability, which may continue to decrease with climate change as soils become drier and microbial activity declines. We compared microclimate, tree performance, and a wide range of proxies for soil nutrient availability in four watersheds along a west-east transect in the Brooks Range during the growing seasons of 2013 and 2014. We hypothesized that soil nutrient availability would track closely with the strong west-east precipitation gradient, with higher rainfall and greater soil nutrient availability in the western Brooks Range. We expected to find that soil water contents in the west are near optimum for nitrogen mineralization, while those in the east are below optimum. Needle nitrogen concentration, net photosynthesis, branch extension growth, and growth in the main stem are expected to decline with the hypothesized decrease in soil nutrient availability. The results of our study will elucidate the current controls on growth of trees near the

Matrix-valued Boltzmann equation for the nonintegrable Hubbard chain.

Science.gov (United States)

Fürst, Martin L R; Mendl, Christian B; Spohn, Herbert

2013-07-01

The standard Fermi-Hubbard chain becomes nonintegrable by adding to the nearest neighbor hopping additional longer range hopping amplitudes. We assume that the quartic interaction is weak and investigate numerically the dynamics of the chain on the level of the Boltzmann type kinetic equation. Only the spatially homogeneous case is considered. We observe that the huge degeneracy of stationary states in the case of nearest neighbor hopping is lost and the convergence to the thermal Fermi-Dirac distribution is restored. The convergence to equilibrium is exponentially fast. However for small next-nearest neighbor hopping amplitudes one has a rapid relaxation towards the manifold of quasistationary states and slow relaxation to the final equilibrium state.

Correlation effects of third-order perturbation in the extended Hubbard model

International Nuclear Information System (INIS)

Wei, G.Z.; Nie, H.Q.; Li, L.; Zhang, K.Y.

1989-01-01

Using the local approach, a third-order perturbation calculation has been performed to investigate the effects of intra-atomic electron correlation and electron and spin correlation between nearest neighbour sites in the extended Hubbard model. It was found that significant correction of the third order over the second order results and, in comparison with the results of the third-order perturbation where only the intra-atomic electron correlation is included, the influence of the electron and spin correlation between nearest neighbour sites on the correlation energy is non-negligible. 17 refs., 3 figs

Brook trout movement within a high-elevation watershed: Consequences for watershed restoration

Science.gov (United States)

Jeff L. Hansbarger; J. Todd Petty; Patricia M. Mazik

2010-01-01

We used radio-telemetry to quantify brook trout (Salvelinus fontinalis) and brown trout (Salmo trutta) movements in the Shavers Fork of the Cheat River, West Virginia, and an adjacent second-order tributary (Rocky Run). Our objectives were to quantify the overall rate of trout movement, assess spatial and temporal variation in...

Study of ZrO2-H2SO4-(NH4)2SO4(NH4Cl)-H2O systems

International Nuclear Information System (INIS)

Motov, D.L.; Sozinova, Yu.P.; Rys'kina, M.P.

1988-01-01

Regions of formation, composition and solubility of ammonium sulfatozirconates (ASZ) in ZrO 2 -H 2 SO 4 -(NH 4 ) 2 SO 4 (NH 4 Cl)-H 2 O systems at 25 and 75 deg C are studied by the isothermal method. Five ASZ: (NH 4 ) 2 Zr(OH) 2 (SO 4 ) 2 , NH 4 ZrOH(SO 4 ) 2 xH 2 O, NH 4 ZrO 0.5 (OH) 2 SO 4 x1.5H 2 O, (NH 4 ) 2 Zr(SO 4 ) 3 x2H 2 O, (NH 4 ) 4 Zr(SO 4 ) 4 x4H 2 O are detected, their properties are investigated. Main sulfates are new compounds never described ealier

The Missing Main Effect of Welfare State Regimes: A Replication of ‘Social Policy Responsiveness in Developed Democracies’ by Brooks and Manza

Directory of Open Access Journals (Sweden)

Nate Breznau

2015-08-01

Full Text Available This article reports the results of a replication of Brooks and Manza's "Social Policy Responsiveness in Developed Democracies" published in 2006 in the American Sociological Review. The article finds that Brooks and Manza utilized an interaction term but excluded the main effect of one of the interacted variables. This model specification has specific implications: statistically, that the omitted main effect variable has no correlation with the residual error term from their regression; theoretically speaking, this means that all unobserved historical, cultural, and other characteristics that distinguish liberal democratic welfare regimes from others can be accounted for with a handful of quantitative measures. Using replicated data, this article finds that the Brooks and Manza models fail these assumptions. A sensitivity analysis using more than 800 regressions with different configurations of variables confirms this. In 99.5 percent of the cases, addition of the main effect removes Brooks and Manza's empirical findings completely. A theoretical discussion illuminates why these findings are not surprising. This article provides a reminder that models and theories are coterminous, each implied by the other.

Two-center three-electron bonding in ClNH{sub 3} revealed via helium droplet infrared laser Stark spectroscopy: Entrance channel complex along the Cl + NH{sub 3} → ClNH{sub 2} + H reaction

Energy Technology Data Exchange (ETDEWEB)

Moradi, Christopher P.; Douberly, Gary E., E-mail: douberly@uga.edu [Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556 (United States); Xie, Changjian; Guo, Hua [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Kaufmann, Matin [Department of Physical Chemistry II, Ruhr-University Bochum, D-44801 Bochum (Germany)

2016-04-28

Pyrolytic dissociation of Cl{sub 2} is employed to dope helium droplets with single Cl atoms. Sequential addition of NH{sub 3} to Cl-doped droplets leads to the formation of a complex residing in the entry valley to the substitution reaction Cl + NH{sub 3} → ClNH{sub 2} + H. Infrared Stark spectroscopy in the NH stretching region reveals symmetric and antisymmetric vibrations of a C{sub 3v} symmetric top. Frequency shifts from NH{sub 3} and dipole moment measurements are consistent with a ClNH{sub 3} complex containing a relatively strong two-center three-electron (2c–3e) bond. The nature of the 2c–3e bonding in ClNH{sub 3} is explored computationally and found to be consistent with the complexation-induced blue shifts observed experimentally. Computations of interconversion pathways reveal nearly barrierless routes to the formation of this complex, consistent with the absence in experimental spectra of two other complexes, NH{sub 3}Cl and Cl–HNH{sub 2}, which are predicted in the entry valley to the hydrogen abstraction reaction Cl + NH{sub 3} → HCl + NH{sub 2}.

One-Particle vs. Two-Particle Crossover in Weakly Coupled Hubbard Chains and Ladders: Perturbative Renormalization Group Approach

OpenAIRE

Kishine, Jun-ichiro; Yonemitsu, Kenji

1997-01-01

Physical nature of dimensional crossovers in weakly coupled Hubbard chains and ladders has been discussed within the framework of the perturbative renormalization-group approach. The difference between these two cases originates from different universality classes which the corresponding isolated systems belong to.

Feeding habits of the alien brook trout Salvelinus fontinalis and the native brown trout Salmo trutta in Czech mountain streams

Directory of Open Access Journals (Sweden)

Horká Petra

2017-01-01

Full Text Available Quantifying patterns of prey resource use is fundamental to identify mechanisms enabling the coexistence of related fish species. Trophic interactions between the native brown trout, Salmo trutta, and the introduced brook trout, Salvelinus fontinalis, were studied monthly from May to October in three mountain streams in Central Europe (Czech Republic. To evaluate whether the feeding habits differ between separated and coexisting populations of these species, one locality where both species coexist, and two allopatric populations of either species were studied. Across the study period, the mean stomach fullness of fish varied, being highest in spring and declining through autumn. The diet overlap (Schoener's overlap index between the species increased through the studied season (from 54.5% in July to 81.5% in October. In allopatry, both species had nearly the same feeding habits. However, in sympatry, brook trout consumed higher proportion of terrestrial invertebrates, while brown trout showed no changes either in the proportions of aquatic and terrestrial prey utilized or in the selectivity for prey categories in comparison to allopatric conditions. The dietary shift observed for brook trout, but not for brown trout, suggests that brown trout is a stronger competitor in the studied sympatric locality, leading the brook trout to change its feeding habits to reduce interspecific competition.

A Study to Evaluate the Organization and the Operating Procedures of the Patient Assistance Function at Brooke Army Medical Center, Fort Sam Houston, Texas

Science.gov (United States)

1979-08-01

15 March 1979. 59Interview with Wendy L. Farace , Head Nurse, Obstetrics/Gynecology Clinic, Brooke Army Medical Center, Fort Sam Houston, Texas, 8...6 February 1979. Farace , Wendy L. Head Nurse, Obstetrica/Gynecology Clinic, Brooke Army Medical Center, Fort Sam Houston, Texas. Interview, 8 January

Exact solution of the one-dimensional Hubbard model with arbitrary boundary magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Li, Yuan-Yuan; Cao, Junpeng [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Yang, Wen-Li [Institute of Modern Physics, Northwest University, Xian 710069 (China); Beijing Center for Mathematics and Information Interdisciplinary Sciences, Beijing, 100048 (China); Shi, Kangjie [Institute of Modern Physics, Northwest University, Xian 710069 (China); Wang, Yupeng, E-mail: yupeng@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

2014-02-15

The one-dimensional Hubbard model with arbitrary boundary magnetic fields is solved exactly via the Bethe ansatz methods. With the coordinate Bethe ansatz in the charge sector, the second eigenvalue problem associated with the spin sector is constructed. It is shown that the second eigenvalue problem can be transformed into that of the inhomogeneous XXX spin chain with arbitrary boundary fields which can be solved via the off-diagonal Bethe ansatz method.

NH{sub 4}-doped anodic WO{sub 3} prepared through anodization and subsequent NH{sub 4}OH treatment for water splitting

Energy Technology Data Exchange (ETDEWEB)

Choi, Yong-Wook; Kim, Sunkyu; Seong, Mijeong; Yoo, Hyeonseok; Choi, Jinsub, E-mail: jinsub@inha.ac.kr

2015-01-01

Highlights: • NN{sub 4}-doped WO{sub 3} was successfully fabricated by a wet-based method using ammonium hydroxide (NH{sub 4}OH). • (NH{sub 4}){sub 10}W{sub 12}O{sub 41} phase was formed during the NH{sub 4}OH treatment. • Over-doped NH{sub 4} in WO{sub 3} led to reduced photo-electrochemical performance for OER. • The optimized surface was achieved by thermal treatment of anodic WO{sub 3} with 2 g of NH{sub 4}OH solution. - Abstract: Tungsten trioxide (WO{sub 3}) prepared by anodization of a W foil was doped with NH{sub 4} through NH{sub 4}OH treatment at 450 °C. Since aqueous NH{sub 4}OH was used during doping instead of NH{sub 3} gas, the treatment step does not require complicated annealing facilities. Moreover, the state of doped N is a form of NH{sub 3}-W instead of W{sub 2}N, which lowers the bandgap but increases photocorrosion. We found that incorporation of NH{sub 4} into WO{sub 3} leads to reduction of the bandgap from 2.9 eV to 2.2 eV, regardless of the amount of NH{sub 4}OH treatment, lowering the onset potential and increasing the current density at fixed potential for oxygen evolution reaction under illumination. Scanning electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy were employed to investigate the surface morphologies, crystallinities of tungsten oxides and existence of NH{sub 4} doping, respectively. The bandgap energy was determined by UV–Vis spectroscopy to measure the transmittance and refraction. The water splitting performance of each sample was measured by electrochemical linear sweep voltammetry in a 3-electrode configuration under illumination.

Variational cluster perturbation theory for Bose-Hubbard models

International Nuclear Information System (INIS)

Koller, W; Dupuis, N

2006-01-01

We discuss the application of the variational cluster perturbation theory (VCPT) to the Mott-insulator-to-superfluid transition in the Bose-Hubbard model. We show how the VCPT can be formulated in such a way that it gives a translation invariant excitation spectrum-free of spurious gaps-despite the fact that it formally breaks translation invariance. The phase diagram and the single-particle Green function in the insulating phase are obtained for one-dimensional systems. When the chemical potential of the cluster is taken as a variational parameter, the VCPT reproduces the dimensional dependence of the phase diagram even for one-site clusters. We find a good quantitative agreement with the results of the density-matrix renormalization group when the number of sites in the cluster becomes of order 10. The extension of the method to the superfluid phase is discussed

Progress towards localization in the attractive Hubbard model

Science.gov (United States)

Morong, W.; Xu, W.; Demarco, B.

2017-04-01

The interplay between fermionic superfluidity and disorder is a topic of long-standing interest that has recently come within reach of ultracold gas experiments. Outstanding questions include the fate of Cooper pairs in a localized superfluid and the effect of disorder on the superfluid transition temperature. We report progress on tackling this problem using a realization of the Hubbard model with attractive interactions. Our system consists of two spin states of fermionic potassium-40 trapped in a cubic optical lattice. Disorder is introduced using an optical speckle potential, and interactions are controlled via a Feshbach resonance. We study the binding and unbinding of Cooper pairs in this system using rf spectroscopy, changes in Tc by measuring the condensate fraction, and transport properties by observing the response to an applied impulse. We will discuss progress towards these measurements.

Effective identification of (NH4)2CO3 and NH4HCO3 concentrations in NaHCO3 regeneration process from desulfurized waste.

Science.gov (United States)

Govindan, Muthuraman; Karunakaran, Kannan; Nallasamy, Palanisami; Moon, Il Shik

2015-01-01

This work describes the quantitative analysis of (NH4)2CO3 and NH4HCO3 using a simple solution phase titration method. Back titration results at various (NH4)2CO3-NH4HCO3 ratios demonstrated that 6:4 ratio caused a 3% error in their differentiation, but very high errors were found at other ratios. A similar trend was observed for the double indicator method, especially when strong acid HCl was used as a titrant, where still less errors (2.5%) at a middle ratio of (NH4)2CO3-NH4HCO3 was found. Remaining ratios with low (NH4)2CO3 (2:8, 4:6) show high +ve error (found concentration is less) and high (NH4)2CO3 (7:3, 8:2, and 9:1) show high -ve error (found concentration is higher) and vice versa for NH4HCO3. In replacement titration using Na2SO4, at both higher end ratios of (NH4)2CO3-NH4HCO3 (2:8 and 9:1), both -ve and +ve errors were minimized to 75% by partial equilibrium arrest between (NH4)2CO3 and NH2COONH4, instead of more than 100% observed in back titration and only double indicator methods. In the presence of (NH4)2SO4 both -ve and +ve error% are completely reduced to 3±1 at ratios 2:8, 4:6, and 6:4 of (NH4)2CO3-NH4HCO3, which demonstrates that the equilibrium transformation between NH2COONH4 and (NH4)2CO3 is completely controlled. The titration conducted at lower temperature (5 °C) in the presence of (NH4)2SO4 at higher ratios of (NH4)2CO3-NH4HCO3 (7:3, 8:2,and 9:1) shows complete minimization of both -ve and +ve errors to 2±1%, which explains the complete arresting of equilibrium transformation. Finally, the developed method shows 2±1% error in differentiation of CO3(2-) and HCO3(-) in the regeneration process of NaHCO3 from crude desulfurized sample. The developed method is more promising to differentiate CO3(2-) and HCO3(-) in industrial applications. Copyright © 2014 Elsevier B.V. All rights reserved.

Role of cortisol in stocking density-induced changes in growth and metabolism of brook charr (Salvelinus fontinalis)

Energy Technology Data Exchange (ETDEWEB)

Vijayan, M.M.

1990-01-01

Brook charr (Salvelinus fontinalis) held at high stocking density (SD) (120 kg/m{sup 3}) had a lower growth rate, food consumption and food conversion efficiency, and plasma thyroxine (T4) than those held at low SD (30 kg/m{sup 3}). SD had no effect on plasma triiodothyronine (T3) levels. Plasma cortisol levels in fish maintained at high SD were variable, being either lower with increased SD or not different from the low SD group. Head kidney tissue (containing the interrenal cells) preparations of brook charr held at high SD showed a higher spontaneous cortisol secretion rate. There was no difference in the clearance rate of ({sup 3}H)-cortisol from plasma, but liver from fish held at high SD showed higher cortisol uptake and catabolism, indicative of altered hepatic metabolic activity. High SD appears to alter the energy metabolism of brook charr. This was evident from significant changes between densities in levels of metabolites (plasma glucose and liver glycogen) and activities of key hepatic enzymes (PFK, HK, FBPase, G6PDH, HOAD, GK and G3PDH). These results suggests that high SD has the effect of mobilizing triglycerides, and promoting gluconeogenesis from glycerol, but has little effect on protein metabolism. When cortisol was administered to brook charr in the form of slow release intraperitoneal implants, the metabolic changes evident were similar to those observed in fish held at high SD. There was no consistent increase in plasma cortisol levels of cortisol implanted fish over a 90 day period. Nevertheless, there were significant effects, apparently cortisol-related, on certain metabolite levels (plasma glycerol, plasma glucose, hepatic glycogen), and activities of key hepatic enzymes.

Similarities between the Hubbard and Periodic Anderson Models at Finite Temperatures

International Nuclear Information System (INIS)

Held, K.; Huscroft, C.; Scalettar, R. T.; McMahan, A. K.

2000-01-01

The single band Hubbard and the two band periodic Anderson Hamiltonians have traditionally been applied to rather different physical problems--the Mott transition and itinerant magnetism, and Kondo singlet formation and scattering off localized magnetic states, respectively. In this paper, we compare the magnetic and charge correlations, and spectral functions, of the two systems. We show quantitatively that they exhibit remarkably similar behavior, including a nearly identical topology of the finite temperature phase diagrams at half filling. We address potential implications of this for theories of the rare earth ''volume collapse'' transition. (c) 2000 The American Physical Society

Simultaneous diagonal and off-diagonal order in the Bose-Hubbard Hamiltonian

International Nuclear Information System (INIS)

Scalettar, R.T.; Batrouni, G.G.; Kampf, A.P.; Zimanyi, G.T.

1995-01-01

The Bose-Hubbard model exhibits a rich phase diagram consisting both of insulating regimes where diagonal long-range (solid) order dominates as well as conducting regimes where off-diagonal long-range order (superfluidity) is present. In this paper we describe the results of quantum Monte Carlo calculations of the phase diagram, both for the hard- and soft-core cases, with a particular focus on the possibility of simultaneous superfluid and solid order. We also discuss the appearance of phase separation in the model. The simulations are compared with analytic calculations of the phase diagram and spin-wave dispersion

Kitchenette: Hell or Home? Different"Kitchenette"Images Created by Richard Wright and Gwendolyn Brooks%Kitchenette:Hell or Home?Different"Kitchenette"Images Created by Richard Wright and Gwendolyn Brooks

Institute of Scientific and Technical Information of China (English)

肖志宏

2017-01-01

How the southern black migrants navigate and survive the northern urban space is a question profoundly explored and realistically documented in many migration narratives in African American literature. This paper concentrates on the image of Chicago"kitchenette"in the works of Richard Wright and Gwendolyn Brooks, in an attempt to demonstrate the different inter-pretations of migrant spaces on the urban landscape.

Increasing Hydrogen Density with the Cation-Anion Pair BH4−-NH4+ in Perovskite-Type NH4Ca(BH43

Directory of Open Access Journals (Sweden)

Pascal Schouwink

2015-08-01

Full Text Available A novel metal borohydride ammonia-borane complex Ca(BH42·NH3BH3 is characterized as the decomposition product of the recently reported perovskite-type metal borohydride NH4Ca(BH43, suggesting that ammonium-based metal borohydrides release hydrogen gas via ammonia-borane-complexes. For the first time the concept of proton-hydride interactions to promote hydrogen release is applied to a cation-anion pair in a complex metal hydride. NH4Ca(BH43 is prepared mechanochemically from Ca(BH42 and NH4Cl as well as NH4BH4 following two different protocols, where the synthesis procedures are modified in the latter to solvent-based ball-milling using diethyl ether to maximize the phase yield in chlorine-free samples. During decomposition of NH4Ca(BH43 pure H2 is released, prior to the decomposition of the complex to its constituents. As opposed to a previously reported adduct between Ca(BH42 and NH3BH3, the present complex is described as NH3BH3-stuffed α-Ca(BH42.

Treatment for GaSb surfaces using a sulphur blended (NH4)2S/(NH4)2SO4 solution

International Nuclear Information System (INIS)

Murape, D.M.; Eassa, N.; Neethling, J.H.; Betz, R.; Coetsee, E.; Swart, H.C.; Botha, J.R.; Venter, A.

2012-01-01

A sulphur based chemical, [(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ] to which S has been added, not previously reported for the treatment of (1 0 0) n-GaSb surfaces, is introduced and benchmarked against the commonly used passivants Na 2 S·9H 2 O and (NH 4 ) 2 S. The surfaces of the treated material were studied by scanning electron microscopy (SEM), Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). It has been found that the native oxides present on the GaSb surface are more effectively removed when treated with ([(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ] + S) than with (NH 4 ) 2 S or Na 2 S·9H 2 O, as evidenced by the ratio of the O 506eV to Sb 457eV AES peaks. XPS results reveal that Sb 2 S 3 /Sb 2 S 5 “replaces” Sb 2 O 3 /Sb 2 O 5 , suggesting that sulphur atoms substitute oxygen atoms in Sb 2 O 3 /Sb 2 O 5 to form Sb-S. It seems sulphurization only partially removes Ga 2 O 3 . Treatment with ([(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ] + S) also results in a noteworthy improvement in the current-voltage (I-V) characteristics of Au/n-GaSb Schottky contacts compared to those fabricated on as-received material.

Analysis of (NH4)2SO4/(NH4)H2PO4 mixtures by thermogravimetry and X-ray diffraction

International Nuclear Information System (INIS)

Perez, Jose; Perez, Eduardo; Vas, Beatriz del; Garcia, Luis; Serrano, Jose Luis

2006-01-01

(NH 4 ) 2 SO 4 and (NH 4 )H 2 PO 4 are the principal components in the powder material used in fire extinguishers. In this paper the mutual influence in their thermal decomposition is investigated by thermogravimetry. Two methods for the quantification of both salts in mixtures (NH 4 ) 2 SO 4 /(NH 4 )H 2 PO 4 are proposed. The first employs thermogravimetry and is based on the measurement of the mass fraction in the 500-550 deg. C interval, once (NH 4 ) 2 SO 4 has totally decomposed to yield gaseous products. The second uses some selected peaks in the X-ray diffractogram

Factors affecting competitive dominance of rainbow trout over brook trout in southern Appalachian streams: Implications of an individual-based model

Energy Technology Data Exchange (ETDEWEB)

Clark, M.E. [Univ. of Tennessee, Knoxville, TN (United States); Rose, K.A. [Oak Ridge National Lab., TN (United States)

1997-01-01

We used an individual-based model to examine possible explanations for the dominance of rainbow trout Oncorhynchus mykiss over brook trout Salvelinus fontinalis in southern Appalachian streams. Model simulations were used to quantify the effects on interspecific competition of (1) competitive advantage for feeding sites by rainbow trout, (2) latitudinal differences in stream temperatures, flows, and daylight, (3) year-class failures, (4) lower fecundity of brook trout, and (5) reductions in spawning habitat. The model tracks the daily spawning, growth, and survival of individuals of both species throughout their lifetime in a series of connected stream habitat units (pools, runs, or riffles). Average densities of each species based on 100-year simulations were compared for several levels of each of the five factors and for sympatric and allopatric conditions. Based on model results and empirical information, we conclude that more frequent year-class failures and the lower fecundity of brook trout are both possible and likely explanations for rainbow trout dominance, that warmer temperatures due to latitude and limited spawning habitat are possible but unlikely explanations, and that competitive advantage for feeding sites by rainbow trout is an unlikely explanation. Additional field work should focus on comparative studies of the reproductive success and the early life stage mortalities of brook and rainbow trout among Appalachian streams with varying rainbow trout dominance. 53 refs., 11 figs.

EXPERIMENTAL ACIDIFICATION CAUSES SOIL BASE-CATION DEPLETION AT THE BEAR BROOK WATERSHED IN MAINE

Science.gov (United States)

There is concern that changes in atmospheric deposition, climate, or land use have altered the biogeochemistry of forests causing soil base-cation depletion, particularly Ca. The Bear Brook Watershed in Maine (BBWM) is a paired watershed experiment with one watershed subjected to...

Generation of nanopores during desorption of NH3 from Mg(NH3)6Cl2

DEFF Research Database (Denmark)

Hummelshøj, Jens Strabo; Sørensen, Rasmus Zink; Kostova, M.Y.

2006-01-01

It is shown that nanopores are formed during desorption of NH3 from Mg(NH3)6Cl2, which has been proposed as a hydrogen storage material. The system of nanopores facilitates the transport of desorbed ammonia away from the interior of large volumes of compacted storage material. DFT calculations sh...

Nucleotide variation in the mitochondrial genome provides evidence for dual routes of postglacial recolonization and genetic recombination in the northeastern brook trout (Salvelinus fontinalis).

Science.gov (United States)

Pilgrim, B L; Perry, R C; Barron, J L; Marshall, H D

2012-09-26

Levels and patterns of mitochondrial DNA (mtDNA) variation were examined to investigate the population structure and possible routes of postglacial recolonization of the world's northernmost native populations of brook trout (Salvelinus fontinalis), which are found in Labrador, Canada. We analyzed the sequence diversity of a 1960-bp portion of the mitochondrial genome (NADH dehydrogenase 1 gene and part of cytochrome oxidase 1) of 126 fish from 32 lakes distributed throughout seven regions of northeastern Canada. These populations were found to have low levels of mtDNA diversity, a characteristic trait of populations at northern extremes, with significant structuring at the level of the watershed. Upon comparison of northeastern brook trout sequences to the publicly available brook trout whole mitochondrial genome (GenBank AF154850), we infer that the GenBank sequence is from a fish whose mtDNA has recombined with that of Arctic charr (S. alpinus). The haplotype distribution provides evidence of two different postglacial founding groups contributing to present-day brook trout populations in the northernmost part of their range; the evolution of the majority of the haplotypes coincides with the timing of glacier retreat from Labrador. Our results exemplify the strong influence that historical processes such as glaciations have had on shaping the current genetic structure of northern species such as the brook trout.

The energy level alignment at the CH{sub 3}NH{sub 3}PbI{sub 3}/pentacene interface

Energy Technology Data Exchange (ETDEWEB)

Ji, Gengwu [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); University of Chinese Academy of Science, Beijing 100049 (China); Zhao, Bin; Song, Fei [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Zheng, Guanhaojie; Zhang, Xiaonan [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); University of Chinese Academy of Science, Beijing 100049 (China); Shen, Kongchao [Department of Physics, Zhejiang University, Hangzhou 310027 (China); Yang, Yingguo [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Chen, Shi, E-mail: ChenShi@ntu.edu.sg [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, 21 Nanyang Link, Singapore 637371 (Singapore); Gao, Xingyu, E-mail: gaoxingyu@sinap.ac.cn [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China)

2017-01-30

Highlights: • The Energy Level Alignment at the CH{sub 3}NH{sub 3}PbI{sub 3}/Pentacene Interface was resolved experimentally. • The downward band bending and the dipole found at the pentacene side would favorably drive holes away from the interface into pentacene. • A ∼0.7 eV offset between pentacene HOMO and CH{sub 3}NH{sub 3}PbI{sub 3} VBM would be in favor of hole transfer whereas a ∼1.35 eV offset between pentacene LUMO and CH{sub 3}NH{sub 3}PbI{sub 3} CBM should efficiently block the unwanted electron transfer from perovskite to pentacene. • Pentacene could be a viable hole transfer material candidate on perovskite to be explored in perovskite devices. - Abstract: Pentacene thin film on CH{sub 3}NH{sub 3}PbI{sub 3} was studied by in-situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy to determine their interfacial energy level alignment. A 0.2 eV downward band bending together with a 0.1 eV interfacial dipole was found at the pentacene side, whereas there was no band bending found at the CH{sub 3}NH{sub 3}PbI{sub 3} side. The offset between CH{sub 3}NH{sub 3}PbI{sub 3} Valance Band Maximum (VBM) and pentacene Highest Occupied Molecular Orbital (HOMO) and that between CH{sub 3}NH{sub 3}PbI{sub 3} Conduction Band Minimum (CBM) and pentacene Lowest Unoccupied Molecular Orbital (LUMO) was determined to be 0.7 and 1.35 eV, respectively. The band alignment at this interface is favor of efficient hole transfer, which suggests pentacene as a viable HTL candidate to be explored in perovskite solar cells.

Spin peierls instability against S-like anisotropic superconductivity in framework of the mean field RVB-Hubbard model

International Nuclear Information System (INIS)

Wrobel, P.; Jacak, L.

1988-01-01

It is shown theoretically that the superconducting transition in the framework of RVB mean field treatment in nearly half-filled band Hubbard model is substantially influenced by spin density wave instability. The reasonable SDW and SC ordering phase diagram for doped La 2 CuO 4 compounds is found

Imaging a multidimensional multichannel potential energy surface: Photodetachment of H{sup −}(NH{sub 3}) and NH{sub 4}{sup −}

Energy Technology Data Exchange (ETDEWEB)

Hu, Qichi; Johnson, Christopher J.; Continetti, Robert E., E-mail: hguo@umn.edu, E-mail: rcontinetti@ucsd.edu [Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0340 (United States); Song, Hongwei; Guo, Hua, E-mail: hguo@umn.edu, E-mail: rcontinetti@ucsd.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Li, Jun [School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China)

2016-06-28

Probes of the Born-Oppenheimer potential energy surfaces governing polyatomic molecules often rely on spectroscopy for the bound regions or collision experiments in the continuum. A combined spectroscopic and half-collision approach to image nuclear dynamics in a multidimensional and multichannel system is reported here. The Rydberg radical NH{sub 4} and the double Rydberg anion NH{sub 4}{sup −} represent a polyatomic system for benchmarking electronic structure and nine-dimensional quantum dynamics calculations. Photodetachment of the H{sup −}(NH{sub 3}) ion-dipole complex and the NH{sub 4}{sup −} DRA probes different regions on the neutral NH{sub 4} PES. Photoelectron energy and angular distributions at photon energies of 1.17, 1.60, and 2.33 eV compare well with quantum dynamics. Photoelectron-photofragment coincidence experiments indicate dissociation of the nascent NH{sub 4} Rydberg radical occurs to H + NH{sub 3} with a peak kinetic energy of 0.13 eV, showing the ground state of NH{sub 4} to be unstable, decaying by tunneling-induced dissociation on a time scale beyond the present scope of multidimensional quantum dynamics.

Field performance of timber bridges. 10, Sanborn Brook stress-laminated deck bridge

Science.gov (United States)

P. D. Hilbrich Lee; J. P. Wacker; M. A. Ritter

The Sanborn Brook bridge was constructed in August 1991, 10 miles northeast of Concord, New Hampshire, as part of the demonstration timber bridge program of the USDA Forest Service. The bridge is a simple-span, double-lane, stress-laminated deck superstructure constructed from Southern Pine lumber and is approximately 25 ft long and 28 ft wide with a skew of 14 degrees...

Critical behavior near the Mott transition in the half-filled asymmetric Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Hoang, Anh-Tuan, E-mail: hatuan@iop.vast.ac.vn [Institute of Physics, Vietnam Academy of Science and Technology, Hanoi (Viet Nam); Le, Duc-Anh [Faculty of Physics, Hanoi National University of Education, Xuan Thuy 136, Cau Giay, Hanoi 10000 (Viet Nam)

2016-03-15

We study the half-filled asymmetric Hubbard model within the two-site dynamical mean field theory. At zero temperature, explicit expressions of the critical interaction U{sub c} for the Mott transition and the local self-energy are analytically derived. Critical behavior of the quasiparticle weights and the double occupancy are obtained analytically as functions of the on-site interaction U and the hopping asymmetry r. Our results are in good agreement with the ones obtained by much more sophisticated theory.

Nitrile anion cyclization with epoxysilanes followed by Brook rearrangement/ring-opening of cyclopropane nitriles/alkylation.

Science.gov (United States)

Okugawa, Seigo; Masu, Hyuma; Yamaguchi, Kentaro; Takeda, Kei

2005-12-09

[reactions: see text] The reaction of delta-silyl-gamma,delta-epoxypentanenitrile derivatives 9-12 with a base and an alkylating agent affords (Z)-delta-siloxy-gamma,delta-unsaturated pentanenitrile derivatives via a tandem process that involves the formation of a cyclopropane derivative by epoxy nitrile cyclization followed by Brook rearrangement and an anion-induced cleavage of the cyclopropane ring. Exclusive formation of a (Z)-derivative from trans-epoxides is explained by the reaction pathway that involves a backside displacement of the epoxide by the alpha-nitrile carbanion and the O-Si bond formation followed by concerted processes involving Brook rearrangement and the anti-mode of eliminative ring fission of the cyclopropane from the rotamer 19. The fact that (E)-isomers are exclusively obtained from cis-epoxides and alpha-cyclopropyl-alpha-silylcarbinol derivative 26 provides experimental support for the proposed pathway.

Breaking of SU(4) symmetry and interplay between strongly-correlated phases in the Hubbard model

Czech Academy of Sciences Publication Activity Database

Golubeva, A.; Sotnikov, A.; Cichy, A.; Kuneš, Jan; Hofstetter, W.

2017-01-01

Roč. 95, č. 12 (2017), s. 1-7, č. článku 125108. ISSN 2469-9950 EU Projects: European Commission(XE) 646807 - EXMAG Institutional support: RVO:68378271 Keywords : Hubbard model * SU(4) 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: 3.836, year: 2016

Increase in Ice Nucleation Efficiency of Feldspars, Kaolinite and Mica in Dilute NH3 and NH4+-containing Solutions

Science.gov (United States)

Kumar, A.; Marcolli, C.; Luo, B.; Krieger, U. K.; Peter, T.

2017-12-01

Semivolatile species present in the atmosphere are prone to adhere to mineral dust particle surfaces during long range transport, and could potentially change the particle surface properties and its ice nucleation (IN) efficiency. Immersion freezing experiments were performed with microcline (K-feldspar), known to be highly IN active, suspended in aqueous solutions of ammonia, (NH4)2SO4, NH4HSO4, NH4NO3, NH4Cl, Na2SO4, H2SO4, K2SO4 and KCl to investigate the effect of solutes on the IN efficiency. Freezing of emulsified droplets investigated with a differential scanning calorimeter (DSC) showed that the heterogeneous ice nucleation temperatures deviate from the water activity-based IN theory, describing heterogeneous ice nucleation temperatures as a function of solution water activity by a constant offset with respect to the ice melting point curve (Zobrist et al. 2008). IN temperatures enhanced up to 4.5 K were observed for very dilute NH3 and NH4+-containing solutions while a decrease was observed as the concentration was further increased. For all solutes with cations other than NH4+, the IN efficiency decreased. An increase of the IN efficiency in very dilute NH3 and NH4+-containing solutions followed by a decrease with increasing concentration was also observed for sanidine (K-feldspar) and andesine (Na/Ca-feldspar). This is an important indication towards specific chemical interactions between solutes and the feldspar surface which is not captured by the water activity-based IN theory. A similar trend is present but less pronounced in case of kaolinite and mica, while quartz is barely affected. We hypothesize that the hydrogen bonding of NH3 molecules with surface -OH groups could be the reason for the enhanced freezing temperatures in dilute ammonia and ammonium containing solutions as they could form an ice-like overlayer providing hydrogen bonding groups for ice to nucleate on top of it. This implies to possibilities of enhanced IN efficiency, especially

[Seasonal variation patterns of NH4(+) -N/NO3(-) -N ratio and delta 15 NH4(+) value in rainwater in Yangtze River Delta].

Science.gov (United States)

Xie, Ying-Xin; Zhang, Shu-Li; Zhao, Xu; Xiong, Zheng-Qin; Xing, Guang-Xi

2008-09-01

By using a customized manual rainwater sampler made of polyvinyl chloride plastic, the molar ratio of NH4(+) -N/NO3(-) -N and the natural 15N abundance of NH4(+) (delta 15 NH4(+) in rainwater was monitored all year round from June 2003 to July 2005 at three observation sites (Changshu, Nanjing, and Hangzhou) in the Yangtze River Delta. The results indicated that at the three sites, the NH4(+) -N/NO3(-) -N ratio and the delta 15 NH4(+) value in rainwater had the similar seasonal variation trend, being more obvious in Changshu (rural monitoring type) site than in Nanjing (urban monitoring type) and Hangzhou (urban-rural monitoring type) sites. The NH4(+) -N/NO3(-) -N ratio peaked from early June to early August, declined gradually afterwards, and reached the bottom in winter; while the delta 15 NH4(+) value was negative from late June to mid-August, turned positive from late August to mid or late November, became negative again when winter dominated from December to March, but turned positive again in next May and negative again in next July. These seasonal variation patterns of NH4(+) -N/NO3(-) -N ratio and delta 15 NH4(+) value were found in relation to the application of chemical nitrogen fertilizers during different crop growth periods, and also, the alternation of seasons and the NH3 volatilization from other NH3 emission sources (including excrements of human and animals, nitrogen- polluted water bodies, and organic nitrogen sources, etc.), which could be taken as an indicator of defining the sources and form composition of NH4(+) in atmospheric wet deposition and the intensity of various terrestrial NH3 emission sources.

Electrochemical Reduction of N2 under Ambient Conditions for Artificial N2 Fixation and Renewable Energy Storage Using N2 /NH3 Cycle.

Science.gov (United States)

Bao, Di; Zhang, Qi; Meng, Fan-Lu; Zhong, Hai-Xia; Shi, Miao-Miao; Zhang, Yu; Yan, Jun-Min; Jiang, Qing; Zhang, Xin-Bo

2017-01-01

Using tetrahexahedral gold nanorods as a heterogeneous electrocatalyst, an electrocatalytic N 2 reduction reaction is shown to be possible at room temperature and atmospheric pressure, with a high Faradic efficiency up to 4.02% at -0.2 V vs reversible hydrogen electrode (1.648 µg h -1 cm -2 and 0.102 µg h -1 cm -2 for NH 3 and N 2 H 4 ·H 2 O, respectively). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

IMPACTS OF MARINE AEROSOLS ON SURFACE WATER CHEMISTRY AT BEAR BROOK WATERSHED, MAINE USA

Science.gov (United States)

The East Bear catchment at Bear Brook Watershed, Maine receives moderate (for the eastern U.S.) amounts of Cl- in wet and dry deposition. In 1989, Cl- in precipitation ranged from 2 to 55 eq/L. Dry, occult, and wet deposition plus evapotranspiration resulted in stream Cl- averagi...

A useful single-solution polychrome stain for plant material...Brook Cyte-Chrome I.

Science.gov (United States)

Stanley L Krugman; Julia F. Littlefield

1968-01-01

Fresh and chemically fixed sectioned plant material can be quickly stained by applying a Brook Cyte Chrome I polychrome stain. Staining time averaged only about 10 minutes. And exact timing of staining and de-staining is not as critical as with most of the commonly used stains. The overall quality is comparable to that of the traditional stains.

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

Energy Technology Data Exchange (ETDEWEB)

Proville, L

1998-03-30

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

Two-magnon Raman scattering in a Mott-Hubbard antiferromagnet

International Nuclear Information System (INIS)

Basu, S.; Singh, A.

1996-01-01

A perturbation-theoretic diagrammatic scheme is developed for systematically studying the two-magnon Raman scattering in a Mott-Hubbard antiferromagnet. The fermionic structure of the magnon interaction vertex is obtained at order-1/N level in an inverse-degeneracy expansion, and the relevant two-magnon propagator is obtained by incorporating magnon interactions at a ladder-sum level. Evaluation of the magnon interaction vertex in the large-U limit yields a nearest-neighbor instantaneous interaction with interaction energy -J. Application of this approach to the intermediate-U regime, which is of relevance for cuprate antiferromagnets, is also discussed. Incorporating the zero-temperature magnon damping, which is estimated in terms of quantum spin fluctuations, the two-magnon Raman scattering intensity is evaluated and compared with experiments on La 2 CuO 4 . copyright 1996 The American Physical Society

Ultrasonic irradiation-promoted one-pot synthesis of CH3NH3PbBr3 quantum dots without using flammable CH3NH2 precursor

Science.gov (United States)

Jiang, Han; Wang, Chunlei; Lv, Changgui; Xu, Shuhong; Zhu, Li; Zhang, Ruohu; Cui, Yiping

2017-02-01

At present, the CH3NH3PbBr3 quantum dots (QDs) reported in the literature usually contain two synthesis steps: the initial preparation of CH3NH3Br via the reaction of flammable CH3NH2 and HBr, together with the subsequent formation of CH3NH3PbBr3 QDs. To avoid the use of dangerous CH3NH2, this work develops a novel one-pot method for synthesizing CH3NH3PbBr3 QDs using safe and commercially available reactants (CH3NH3Cl, KBr and PbCl2). It is found that ultrasonic treatment plays a key role during the synthesis of CH3NH3PbBr3 QDs. Without ultrasonic irradiation, it is not possible to synthesize CH3NH3PbBr3 QDs under heating or vigorous stirring. Aliquots of samples taken at different ultrasonic irradiation time intervals show a time-dependent redshift in the emission wavelength. This suggests the formation of CH3NH3PbCl3 QDs first, followed by the formation of CH3NH3PbBr3 QDs through ultrasonically promoted halide exchange. Moreover, mixed CH3NH3PbCl x Br3-x QDs with a tunable emission wavelength can also be prepared through this one-pot method by controlling the ultrasonic irradiation time. In comparison to the previous two-step method, the current one-pot method is simpler, less time-consuming and does not use flammable CH3NH2. The as-prepared CH3NH3PbBr3 QDs show a comparable photoluminescence (PL) quantum yield (QY) to that of the literature. What is more, the ultrasonic time-controlled emission wavelength of CH3NH3PbCl x Br3-x QDs also provides an alternative way of tuning QD emission to the traditional way of controlling the halide ratios.

Atomic force microscopy study of TiO2 sol-gel films thermally treated under NH3 atmosphere

International Nuclear Information System (INIS)

Trapalis, C.; Todorova, N.; Anastasescu, M.; Anastasescu, C.; Stoica, M.; Gartner, M.; Zaharescu, M.; Stoica, T.

2009-01-01

Multilayered TiO 2 films were obtained by sol-gel and dipping deposition on quartz substrate followed by thermal treatment under NH 3 atmosphere. In an attempt to understand the close relationship between microstructural characteristics and the synthesis parameters, a systematic research of the structure and the morphology of NH 3 modified TiO 2 sol-gel films by XRD and Atomic Force Microscopy is reported. The surface morphology has been evaluated in terms of grains size, fractal dimension and surface roughness. For each surface, it was found a self-similar behavior (with mean fractal dimension in the range of 2.67-3.00) related to an optimum morphology favorable to maintain a nano-size distribution of the grains. The root mean square (RMS) roughness of the samples was found to be in the range of 0.72-6.02 nm.

Sibship reconstruction for inferring mating systems, dispersal and effective population size in headwater brook trout (Salvelinus fontinalis) populations

Science.gov (United States)

Kanno, Yoichiro; Vokoun, Jason C.; Letcher, Benjamin H.

2011-01-01

Brook trout Salvelinus fontinalis populations have declined in much of the native range in eastern North America and populations are typically relegated to small headwater streams in Connecticut, USA. We used sibship reconstruction to infer mating systems, dispersal and effective population size of resident (non-anadromous) brook trout in two headwater stream channel networks in Connecticut. Brook trout were captured via backpack electrofishing using spatially continuous sampling in the two headwaters (channel network lengths of 4.4 and 7.7 km). Eight microsatellite loci were genotyped in a total of 740 individuals (80–140 mm) subsampled in a stratified random design from all 50 m-reaches in which trout were captured. Sibship reconstruction indicated that males and females were both mostly polygamous although single pair matings were also inferred. Breeder sex ratio was inferred to be nearly 1:1. Few large-sized fullsib families (>3 individuals) were inferred and the majority of individuals were inferred to have no fullsibs among those fish genotyped (family size = 1). The median stream channel distance between pairs of individuals belonging to the same large-sized fullsib families (>3 individuals) was 100 m (range: 0–1,850 m) and 250 m (range: 0–2,350 m) in the two study sites, indicating limited dispersal at least for the size class of individuals analyzed. Using a sibship assignment method, the effective population size for the two streams was estimated at 91 (95%CI: 67–123) and 210 (95%CI: 172–259), corresponding to the ratio of effective-to-census population size of 0.06 and 0.12, respectively. Both-sex polygamy, low variation in reproductive success, and a balanced sex ratio may help maintain genetic diversity of brook trout populations with small breeder sizes persisting in headwater channel networks.

A liquid-based eutectic system: LiBH4·NH 3-nNH3BH3 with high dehydrogenation capacity at moderate temperature

KAUST Repository

Tan, Yingbin; Guo, Yanhui; Li, Shaofeng; Sun, Weiwei; Zhu, Yihan; Li, Qi; Yu, Xuebin

2011-01-01

A novel eutectic hydrogen storage system, LiBH4·NH 3-nNH3BH3, which exists in a liquid state at room temperature, was synthesized through a simple mixing of LiBH 4·NH3 and NH3BH3 (AB). In the temperature range of 90-110 °C, the eutectic system

Analytic models of NH4+ uptake and regeneration experiments

International Nuclear Information System (INIS)

Laws, E.A.

1985-01-01

Differential equations describing the uptake and regeneration of NH 4 + in both laboratory and field experiments are shown to have analytic solutions which can easily be inverted to determine the rate constants of interest. The solutions are used to study the descriptive ability of two fundamentally different models of NH 4 + cycling, one in which NH 4 + regeneration is regarded as a process that transfers N from participate N to NH 4 + , the other in which regeneration is regarded as a process that introduced NH 4 + to the dissolved phase without removing N from the particulate phase. The former model was found to give a good description of experimental field data and reasonable parameter values in all cases studied. The latter model was much less successful in describing the data and in producing reasonable parameter values. It is concluded that transfer of nitrogen from particulate N to NH 4 + is a process which must be taken into account in analyzing NH 4 + uptake and regeneration experiments

SOIL ALUMINUM DISTRIBUTION IN THE NEAR-STREAM ZONE AT THE BEAR BROOK WATERSHED IN MAINE

Science.gov (United States)

Near-stream and upslope soil chemical properties were analyzed to infer linkages between soil and surface water chemistry at the Bear Brook Watershed in Maine [BBWM]. Organic and mineral soil samples were collected along six 20 m transects perpendicular to the stream and one 200 ...

Comparative genomic and physiological analysis of nutrient response to NH4+, NH4+:NO3- and NO3- in barley seedlings.

Science.gov (United States)

Lopes, Marta S; Araus, José L

2008-09-01

Long-term differences in photosynthesis, respiration and growth of plants receiving distinct nitrogen (N) sources imply that N metabolism generates signals that regulate metabolism and development. The molecular basis of these signals remains unclear. Here we studied the gene expression profiles of barley (Hordeum vulgare L. cv. Graphic) seedlings fertilized either with ammonium (NH4+), with ammonium and nitrate (NH4+:NO3-), or with nitrate (NO3-) only. Our transcriptome analysis after 48 h of growth in these N sources showed major changes in the expression of genes involved in N metabolism (nitrate reductase), signalling (protein kinases and protein phosphatases), photosynthesis (chlorophyll a/b-binding protein and a PsbQ domain), where increases in NO3- as compared with NH4+ were observed. Moreover, NH4+ assimilation induced genes participating in C and sugars metabolism (phosphoglycerate kinase, glucosyltranferase and galactokinase), respiration (cytochrome c oxidase), protein fate (heat shock proteins) and development (MTN3-like protein). These changes in gene expression could well explain the long-term growth depression observed in NH4+ plants. Even if a few genes participating in protein fate (proteases) and development (OsNAC5) were upregulated in NH4+ as compared with NH4+:NO3-, the general pattern of expression was quite similar between these two N sources. Taken together, these results indicated that other downstream mechanisms should be involved in the synergetic long-term response of NH4+:NO3-.

A liquid-based eutectic system: LiBH4·NH 3-nNH3BH3 with high dehydrogenation capacity at moderate temperature

KAUST Repository

Tan, Yingbin

2011-01-01

A novel eutectic hydrogen storage system, LiBH4·NH 3-nNH3BH3, which exists in a liquid state at room temperature, was synthesized through a simple mixing of LiBH 4·NH3 and NH3BH3 (AB). In the temperature range of 90-110 °C, the eutectic system showed significantly improved dehydrogenation properties compared to the neat AB and LiBH 4·NH3 alone. For example, in the case of the LiBH4·NH3/AB with a mole ratio of 1:3, over 8 wt.% hydrogen could be released at 90 °C within 4 h, while only 5 wt.% hydrogen released from the neat AB at the same conditions. Through a series of experiments it has been demonstrated that the hydrogen release of the new system is resulted from an interaction of AB and the NH3 group in the LiBH4·NH3, in which LiBH4 works as a carrier of ammonia and plays a crucial role in promoting the interaction between the NH3 group and AB. The enhanced dehydrogenation of LiBH 4·NH3/AB may result from the polar liquid state reaction environments and the initially promoted formation of the diammoniate of diborane, which will facilitate the B-H⋯H-N interaction between LiBH4·NH3 and AB. Kinetics analysis revealed that the rate-controlling steps of the dehydrogenation process are three-dimensional diffusion of hydrogen at temperatures ranging from 90 to 110 °C. This journal is © The Royal Society of Chemistry.

Sex reversal of brook trout (Salvelinus fontinalis) by 17α-methyltestosterone exposure: A serial experimental approach to determine optimal timing and delivery regimes.

Science.gov (United States)

Fatima, Shafaq; Adams, Mark; Wilkinson, Ryan

2016-12-01

Commercial culture of Brook trout (Salvelinus fontinalis) in Tasmania was partly abandoned due to sexual maturation of male fish early on during the estuarine rearing phase. Maturation adversely affects body mass, flesh quality and immunocompetency effectively. Sex reversal techniques such as the in-feed addition of a synthetic androgen have proven difficult to adapt in brook trout. An appropriate timing, duration and delivery vehicle for administration of 17α-methyltestosterone (MT) to produce phenotypic males (neomales) from genotypically female brook trout required further investigation. In this study, groups of brook trout eggs (n=1000) maintained at 9.5±0.15-10±0.14°C, were immersed in MT (400μgL -1 ) for four hours on two alternate days (two immersions/group) staggered over a two week period surrounding the hatch of embryos (control groups excluded). The groups were then split and half received MT-supplemented feed for 60days and the other a standard diet. Following an 11 month on-growing period sex phenotypes were determined by gross & histological gonad morphology. The highest proportion of male phenotypes (75%) was found in fish immersed six and four days pre-hatch and subsequently fed a normal diet. Fish fed a MT supplemented diet and immersed in MT showed significantly higher proportions of sterile fish. These data indicate that a pre-hatch immersion-only regime (4-6days pre-hatch at 9.5°C) should be pursued as a target for optimization studies to further refine the effective concentration and duration of exposure to MT for the successful production of neo-male brook trout. Copyright © 2016 Elsevier B.V. All rights reserved.

The two-hole ground state of the Hubbard-Anderson model, approximated by a variational RVB-type wave function

NARCIS (Netherlands)

Traa, M.R.M.J.; Traa, M.R.M.J.; Caspers, W.J.; Caspers, W.J.; Banning, E.J.; Banning, E.J.

1994-01-01

In this paper the Hubbard-Anderson model on a square lattice with two holes is studied. The ground state (GS) is approximated by a variational RVB-type wave function. The holes interact by exchange of a localized spin excitation (SE), which is created or absorbed if a hole moves to a

Assessing the impact of stocking northern-origin hatchery brook trout on the genetics of wild populations in North Carolina

Science.gov (United States)

Kazyak, David C.; Rash, Jacob; Lubinski, Barbara A.; King, Tim L.

2018-01-01

The release of hatchery-origin fish into streams with endemics can degrade the genetics of wild populations if interbreeding occurs. Starting in the 1800s, brook trout descendent from wild populations in the northeastern United States were stocked from hatcheries into streams across broad areas of North America to create and enhance fishery resources. Across the southeastern United States, many millions of hatchery-origin brook trout have been released into hundreds of streams, but the extent of introgression with native populations is not well resolved despite large phylogeographic distances between these groups. We used three assessment approaches based on 12 microsatellite loci to examine the extent of hatchery introgression in 406 wild brook trout populations in North Carolina. We found high levels of differentiation among most collections (mean F′ST = 0.718), and among most wild collections and hatchery strains (mean F′ST = 0.732). Our assessment of hatchery introgression was consistent across the three metrics, and indicated that most wild populations have not been strongly influenced by supplemental stocking. However, a small proportion of wild populations in North Carolina appear to have been strongly influenced by stocked conspecifics, or in some cases, may have been founded entirely by hatchery lineages. In addition, we found significant differences in the apparent extent of hatchery introgression among major watersheds, with the Savannah River being the most strongly impacted. Conversely, populations in the Pee Dee River watershed showed little to no evidence of hatchery introgression. Our study represents the first large-scale effort to quantify the extent of hatchery introgression across brook trout populations in the southern Appalachians using highly polymorphic microsatellite markers.

Mixed adenine/guanine quartets with three trans-a2 Pt(II) (a=NH(3) or MeNH(2)) cross-links: linkage and rotational isomerism, base pairing, and loss of NH(3).

Science.gov (United States)

Albertí, Francisca M; Rodríguez-Santiago, Luis; Sodupe, Mariona; Mirats, Andrea; Kaitsiotou, Helena; Sanz Miguel, Pablo J; Lippert, Bernhard

2014-03-17

Of the numerous ways in which two adenine and two guanines (N9 positions blocked in each) can be cross-linked by three linear metal moieties such as trans-a2 Pt(II) (with a=NH3 or MeNH2 ) to produce open metalated purine quartets with exclusive metal coordination through N1 and N7 sites, one linkage isomer was studied in detail. The isomer trans,trans,trans-[{Pt(NH3 )2 (N7-9-EtA-N1)2 }{Pt(MeNH2 )2 (N7-9-MeGH)}2 ][(ClO4 )6 ]⋅3H2 O (1) (with 9-EtA=9-ethyladenine and 9-MeGH=9-methylguanine) was crystallized from water and found to adopt a flat Z-shape in the solid state as far as the trinuclear cation is concerned. In the presence of excess 9-MeGH, a meander-like construct, trans,trans,trans-[{Pt(NH3 )2 (N7-9-EtA-N1)2 }{Pt(MeNH2 )2 (N7-9-MeGH)2 }][(ClO4 )6 ]⋅[(9-MeGH)2 ]⋅7 H2 O (2) is formed, in which the two extra 9-MeGH nucleobases are hydrogen bonded to the two terminal platinated guanine ligands of 1. Compound 1, and likewise the analogous complex 1 a (with NH3 ligands only), undergo loss of an ammonia ligand and formation of NH4 (+) when dissolved in [D6 ]DMSO. From the analogy between the behavior of 1 and 1 a it is concluded that a NH3 ligand from the central Pt atom is lost. Addition of 1-methylcytosine (1-MeC) to such a DMSO solution reveals coordination of 1-MeC to the central Pt. In an analogous manner, 9-MeGH can coordinate to the central Pt in [D6 ]DMSO. It is proposed that the proton responsible for formation of NH4 (+) is from one of the exocyclic amino groups of the two adenine bases, and furthermore, that this process is accompanied by a conformational change of the cation from Z-form to U-form. DFT calculations confirm the proposed mechanism and shed light on possible pathways of this process. Calculations show that rotational isomerism is not kinetically hindered and that it would preferably occur previous to the displacement of NH3 by DMSO. This displacement is the most energetically costly step, but it is compensated by the proton

NMR Spectroscopic Characterization of Methylcobalt(III) Compounds with Classical Ligands. Crystal Structures of [Co(NH(3))(5)(CH(3))]S(2)O(6), trans-[Co(en)(2)(NH(3))(CH(3))]S(2)O(6) (en = 1,2-Ethanediamine), and [Co(NH(3))(6)]-mer,trans-[Co(NO(2))(3)(NH(

DEFF Research Database (Denmark)

Kofod, Pauli; Harris, Pernille; Larsen, Sine

1997-01-01

magnetic resonance spectroscopy and by absorption spectroscopy. Single-crystal X-ray structure determinations at 122.0(5) K were performed on [Co(NH(3))(5)(CH(3))]S(2)O(6) (1), trans-[Co(en)(2)(NH(3))(CH(3))]S(2)O(6) (2), and [Co(NH(3))(6)]-mer,trans-[Co(NO(2))(3)(NH(3))(2)(CH(3))](2)-trans-[Co(NO(2...

Lithium amide (LiNH2) under pressure.

Science.gov (United States)

Prasad, Dasari L V K; Ashcroft, N W; Hoffmann, Roald

2012-10-11

Static high pressure lithium amide (LiNH(2)) crystal structures are predicted using evolutionary structure search methodologies and intuitive approaches. In the process, we explore the relationship of the structure and properties of solid LiNH(2) to its molecular monomer and dimer, as well as its valence-isoelectronic crystalline phases of methane, water, and ammonia all under pressure. A NaNH(2) (Fddd) structure type is found to be competitive for the ground state of LiNH(2) above 6 GPa with the P = 1 atm I4[overline] phase. Three novel phases emerge at 11 (P4[overline]2(1)m), 13 (P4(2)/ncm), and 46 GPa (P2(1)2(1)2(1)), still containing molecular amide anions, which begin to form N-H···N hydrogen bonds. The P2(1)2(1)2(1) phase remains stable over a wide pressure range. This phase and another Pmc2(1) structure found at 280 GPa have infinite ···(H)N···H···N(H)···H polymeric zigzag chains comprising symmetric N···H···N hydrogen bonds with one NH bond kept out of the chain, an interesting general feature found in many of our high pressure (>280 GPa) LiNH(2) structures, with analogies in high pressure H(2)O-ices. All the predicted low enthalpy LiNH(2) phases are calculated to be enthalpically stable with respect to their elements but resist metallization with increasing pressure up to several TPa. The possibility of Li sublattice melting in the intermediate pressure range structures is raised.

Order-disorder phase transition in the peroxidovanadium complex NH4[VO(O2)2(NH3)].

Science.gov (United States)

Schwendt, Peter; Gyepes, Róbert; Chrappová, Jana; Němec, Ivan; Vaněk, Přemysl

2018-07-05

Complex NH 4 [VO(O 2 ) 2 (NH 3 )] (1) undergoes an order-disorder phase transition at T c ~258K. This transition is accompanied by change in the space group of the orthorhombic lattice and also by significant structural rearrangements of the constituent molecules, which are pertinent mostly to their NH 4 + ions and their ammonia ligands. The low-temperature solid state IR and Raman spectra of 1 were corroborated by solid-state computations that employed Gaussian functions as the basis set. Results of these computations yielded excellent agreement with experimental data. On the curves of temperature dependence of vibrational modes, the phase transition is expressed by an abrupt change of the slope above T c . Copyright © 2018 Elsevier B.V. All rights reserved.

William Graham Brooke (1835-1907): Advocate of Girls' Superior Schooling in Nineteenth-Century Ireland

Science.gov (United States)

McCormack, Christopher F.

2015-01-01

This paper examines the role of William Graham Brooke as advocate of women's higher education and access to university. His work as advocate is considered against the religious, political, social and economic backdrop of late nineteenth century Ireland. A barrister, as Clerk in the Lord Chancellor's office, he was centrally involved in the…

Formulation of an inhibitor radiopharmaceutical of prostatic antigen of {sup 177}Lu-Glu-Nh-CO-Nh-Lys membrane; Formulacion de un radiofarmaco inhibidor del antigeno prostatico de membrana {sup 177}Lu-Glu-NH-CO-NH-Lys

Energy Technology Data Exchange (ETDEWEB)

Ortega S, D.

2015-07-01

The prostate specific membrane antigen (PSMA) is a zinc metalloenzyme that is expressed on the cell membrane and highly expressed in prostate cancer. Recently, it has been demonstrated that the peptide sequence Glu-Nh-CO-Nh-Lys inhibit PSMA activity through an electrostatic interaction with the Zn. Several theragnostic radiopharmaceuticals with base in {sup 177}Lu have been developed for radiotherapy of specific molecular targets because gamma and beta emissions of the radionuclide (β = 0.498 MeV and γ= 0.133 MeV). However, there is currently no label a formulation for preparing a radiopharmaceutical of {sup 177}Lu-Glu-Nh-CO-Nh-Lys useful treatment of prostate cancer. The aim of this research was to optimize and document the process of production of the radiopharmaceutical {sup 177}Lu-Glu-Nh-CO-Nh-Lys for sanitary registration application before the Comision Federal para la Proteccion contra Riesgos Sanitarios (COFEPRIS). The optimization of the production process was assessed a factorial design of three variables with mixed levels (3 x 3 x 2) where the dependent variable is the radiochemical purity, the analytical method was validated by UV-Vis spectrophotometry. Next, process validation was carried out by labeling 3 lots of the optimized formulation of the radiopharmaceutical (5.55 GBq (2.16 μg) of {sup 177}LuCl{sub 3}, 90 mg peptide PSMA, 50 mg ascorbic acid and 150 μL of acetate buffer 1 M ph 5), long-term stability was performed by high resolution liquid chromatography) to determine its useful shelf life. 3 validation batches were prepared under protocols of Good Manufacturing Practice (GMP) in the Production Plant of Radiopharmaceuticals of the Instituto Nacional de Investigaciones Nucleares (ININ), meet specifications preset by obtaining a sterile and free development of bacterial endotoxin yields of labeled 100% and which retains its quality characteristics radiochemical purity greater than 90% for at least 15 days. (Author)

NH2+ implantations induced superior hemocompatibility of carbon nanotubes.

Science.gov (United States)

Guo, Meixian; Li, Dejun; Zhao, Mengli; Zhang, Yiteng; Deng, Xiangyun; Geng, Dongsheng; Li, Ruying; Sun, Xueliang; Gu, Hanqing; Wan, Rongxin

2013-05-01

NH2+ implantation was performed on multiwalled carbon nanotubes (MWCNTs) prepared by chemical vapor deposition. The hemocompatibility of MWCNTs and NH2+-implanted MWCNTs was evaluated based on in vitro hemolysis, platelet adhesion, and kinetic-clotting tests. Compared with MWCNTs, NH2+-implanted MWCNTs displayed more perfect platelets and red blood cells in morphology, lower platelet adhesion rate, lower hemolytic rate, and longer kinetic blood-clotting time. NH2+-implanted MWCNTs with higher fluency of 1 × 1016 ions/cm2 led to the best thromboresistance, hence desired hemocompatibility. Fourier transfer infrared and X-ray photoelectron spectroscopy analyses showed that NH2+ implantation caused the cleavage of some pendants and the formation of some new N-containing functional groups. These results were responsible for the enhanced hemocompatibility of NH2+-implanted MWCNTs.

Hierarchical relaxation dynamics in a tilted two-band Bose-Hubbard model

Science.gov (United States)

Cosme, Jayson G.

2018-04-01

We numerically examine slow and hierarchical relaxation dynamics of interacting bosons described by a tilted two-band Bose-Hubbard model. The system is found to exhibit signatures of quantum chaos within the spectrum and the validity of the eigenstate thermalization hypothesis for relevant physical observables is demonstrated for certain parameter regimes. Using the truncated Wigner representation in the semiclassical limit of the system, dynamics of relevant observables reveal hierarchical relaxation and the appearance of prethermalized states is studied from the perspective of statistics of the underlying mean-field trajectories. The observed prethermalization scenario can be attributed to different stages of glassy dynamics in the mode-time configuration space due to dynamical phase transition between ergodic and nonergodic trajectories.

Crystal structure and characterization of the novel NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonded polar crystal [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Wojtas, M., E-mail: maciej.wojtas@chem.uni.wroc.pl [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Gagor, A. [W. Trzebiatowski Institute of Low Temperature and Structure Research, Polish Academy of Science, PO Box 1410, 50-950 Wroclaw (Poland); Czupinski, O. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Medycki, W. [Institute of Molecular Physics, Polish Academy of Science, Smoluchowskiego 17, 60-179 Poznan (Poland); Jakubas, R. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland)

2012-03-15

Dielectric properties and phase transitions of the piperazinium tetrafluoroborate ([NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], abbreviated as PFB) crystal are related to the one-dimensional arrangement of the cations linked by the bistable NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonds and molecular motions of the [BF{sub 4}]{sup -} units. The crystal structure of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}] is monoclinic at room temperature with the polar space group Pn. The polar/acentric properties of the room temperature phase IV have been confirmed by the piezoelectric and pyroelectric measurements. DSC measurements show that the compound undergoes three first-order structural phase transitions: at 421/411 K (heating/cooling), at 386/372 K and at 364/349 K. {sup 1}H and {sup 19}F NMR measurements indicate the reorientational motions of [BF{sub 4}]{sup -} anions and piperazinium(+) cations as well as the proton motion in the hydrogen-bonded chains of piperazine along the [001] direction. Over the phase I the isotropic reorientational motions or even self-diffusion of the cations and anions are expected. The conductivity measurements in the vicinity of the II-I PT indicate a superionic phase over the phase I. - Graphical abstract: It must be emphasized that the titled compound represents the first organic-inorganic simple salt containing the single-protonated piperazinium cation which was studied by means of the wide variety of experimental techniques. A survey of Cambridge Structural Database (CSD version 5.32 (November 2010) and updates (May 2011)) for structure containing the piperazinium cations yields 248 compounds with the doubly protonated piperazinium(2+) cations and only eight compounds with the singly protonated piperazinium(+) cations. Among these structures only one is the hybrid organic-inorganic material. This is piperazinium nitrate characterized structurally. The crystal packing of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], phase IV. The

2006 Reson 8101ER Multibeam Sonar Data from Cruise AHI-06-12 - Brooks Bank, Northwestern Hawaiian Islands

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Reson 8101ER multibeam Data were collected between 13-15 October 2006 aboard NOAA Survey Launch Acoustic Habitat Investigator (AHI) Brooks Banks in the Northwestern...

Decadal responses in soil N dynamics at the Bear Brook Watershed in Maine, USA

Science.gov (United States)

Sultana Jefts; Ivan J. Fernandez; Lindwey E. Rustad; D. Bryan Dail

2004-01-01

Atmospheric nitrogen deposition to forested ecosystems is a concern because of both geochemical and biological consequences for ecosystem integrity. High levels of prolonged N deposition can lead to "N saturation" of the ecosystem. The Bear Brook Watershed in Maine is a long-term, paired forested watershed experiment with over a decade of experimental N...

Quantum phase transition of light in the Rabi–Hubbard model

International Nuclear Information System (INIS)

Schiró, M; Bordyuh, M; Öztop, B; Türeci, H E

2013-01-01

We discuss the physics of the Rabi–Hubbard model describing large arrays of coupled cavities interacting with two level atoms via a Rabi nonlinearity. We show that the inclusion of counter-rotating terms in the light–matter interaction, often neglected in theoretical descriptions based on Jaynes–Cumming models, is crucial to stabilize finite-density quantum phases of correlated photons with no need for an artificially engineered chemical potential. We show that the physical properties of these phases and the quantum phase transition occurring between them is remarkably different from those of interacting bosonic massive quantum particles. The competition between photon delocalization and Rabi nonlinearity drives the system across a novel Z 2 parity symmetry-breaking quantum phase transition between two gapped phases, a Rabi insulator and a delocalized super-radiant phase. (paper)

Quantum behaviour of open pumped and damped Bose-Hubbard trimers

Science.gov (United States)

Chianca, C. V.; Olsen, M. K.

2018-01-01

We propose and analyse analogs of optical cavities for atoms using three-well inline Bose-Hubbard models with pumping and losses. With one well pumped and one damped, we find that both the mean-field dynamics and the quantum statistics show a qualitative dependence on the choice of damped well. The systems we analyse remain far from equilibrium, although most do enter a steady-state regime. We find quadrature squeezing, bipartite and tripartite inseparability and entanglement, and states exhibiting the EPR paradox, depending on the parameter regimes. We also discover situations where the mean-field solutions of our models are noticeably different from the quantum solutions for the mean fields. Due to recent experimental advances, it should be possible to demonstrate the effects we predict and investigate in this article.

Formulation of an inhibitor radiopharmaceutical of prostatic antigen of 177Lu-Glu-Nh-CO-Nh-Lys membrane

International Nuclear Information System (INIS)

Ortega S, D.

2015-01-01

The prostate specific membrane antigen (PSMA) is a zinc metalloenzyme that is expressed on the cell membrane and highly expressed in prostate cancer. Recently, it has been demonstrated that the peptide sequence Glu-Nh-CO-Nh-Lys inhibit PSMA activity through an electrostatic interaction with the Zn. Several theragnostic radiopharmaceuticals with base in 177 Lu have been developed for radiotherapy of specific molecular targets because gamma and beta emissions of the radionuclide (β = 0.498 MeV and γ= 0.133 MeV). However, there is currently no label a formulation for preparing a radiopharmaceutical of 177 Lu-Glu-Nh-CO-Nh-Lys useful treatment of prostate cancer. The aim of this research was to optimize and document the process of production of the radiopharmaceutical 177 Lu-Glu-Nh-CO-Nh-Lys for sanitary registration application before the Comision Federal para la Proteccion contra Riesgos Sanitarios (COFEPRIS). The optimization of the production process was assessed a factorial design of three variables with mixed levels (3 x 3 x 2) where the dependent variable is the radiochemical purity, the analytical method was validated by UV-Vis spectrophotometry. Next, process validation was carried out by labeling 3 lots of the optimized formulation of the radiopharmaceutical (5.55 GBq (2.16 μg) of 177 LuCl 3 , 90 mg peptide PSMA, 50 mg ascorbic acid and 150 μL of acetate buffer 1 M ph 5), long-term stability was performed by high resolution liquid chromatography) to determine its useful shelf life. 3 validation batches were prepared under protocols of Good Manufacturing Practice (GMP) in the Production Plant of Radiopharmaceuticals of the Instituto Nacional de Investigaciones Nucleares (ININ), meet specifications preset by obtaining a sterile and free development of bacterial endotoxin yields of labeled 100% and which retains its quality characteristics radiochemical purity greater than 90% for at least 15 days. (Author)

CRED 20 m Gridded bathymetry of Brooks Banks and St. Rogatien Bank, Hawaii, USA (Arc ASCII format)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Gridded bathymetry (20m) of the shelf and slope environments of Brooks Banks and St. Rogatien, Hawaii, USA. The ASCII includes multibeam bathymetry from the Simrad...

极压润滑剂NH-EPL性能评价与现场应用%Performance Evaluation and Application of Extreme Pressure Lubricant NH-EPL

Institute of Scientific and Technical Information of China (English)

逯贵广

2017-01-01

Aiming at the problems of commonly drilling fluid lubricant,such as low pressure,poor anti-friction effect and temperature resistance, extreme pressure lubricant NH-EPL was prepared by introducing metal organic compound into alkanolamine ester. The properties of NH-EPL,such as lubrication,friction-reduction and wear-resistance effect,temperature resistance and salt tolerance,foam ability,fluorescence level and biological toxicity and so on,were studied and the effect of NH-EPL on the rheological property of drilling fluid was investigated. Furthermore,NH-EPL was applied in Xinjiang and Jiangsu area on site. The results showed that NH-EPL had excellent extreme pressure friction resistance and lubrication performance. At room temperature,the lubrication factor reduced 93.4%and the wear loss reduced 99.87%by 0.5%NH-EPL. The pressure capacity of NH-EPL was 320 kgf. NH-EPL had good resistance to temperature(160℃)and salt. The lubrication factor of 20% NaCl salt water slurry reduced 80.43% by NH-EPL. The foam ability of NH-EPL was poor and the foaming rate of base slurry containing 0.5% NH-EPL was only 1.0%. The fluorescence level of NH-EPL was one level. It had no biological toxicity which was in accordance with environmental guidelines. NH-EPL had little effect on the rheological property and filtration property of mud,and the compatibility between NH-EPL and other treatment agent was good. The field application effect of NH-EPL was remarkable in Xinjiang and Jiangsu area with drilling friction reduction rate up to 50%,which met the demand for drilling service of deep, highly-deviated and horizontal wells.%针对目前钻井液常用润滑剂承压能力低、减磨效果和抗温性能差等问题,通过在醇胺酯中引入金属有机化合物制得极压润滑剂NH-EPL.研究了NH-EPL的润滑性能、极压减磨性能、抗温耐盐性能、起泡性、荧光级别以及生物毒性等,考察了其对钻井液流变性的影响,并在新疆和江苏地区进行了现场应用.结果表明,NH

Rate-based modelling of combined SO2 removal and NH3 recycling integrated with an aqueous NH3-based CO2 capture process

International Nuclear Information System (INIS)

Li, Kangkang; Yu, Hai; Qi, Guojie; Feron, Paul; Tade, Moses; Yu, Jingwen; Wang, Shujuan

2015-01-01

Highlights: • A rigorous, rate-based model for an NH 3 –CO 2 –SO 2 –H 2 O system was developed. • Model predictions are in good agreement with pilot plant results. • >99.9% of SO 2 was captured and >99.9% of slipped ammonia was reused. • The process is highly adaptable to the variations of SO 2 /NH 3 level, temperatures. - Abstract: To reduce the costs of controlling emissions from coal-fired power stations, we propose an advanced and effective process of combined SO 2 removal and NH 3 recycling, which can be integrated with the aqueous NH 3 -based CO 2 capture process to simultaneously achieve SO 2 and CO 2 removal, NH 3 recycling and flue gas cooling in one process. A rigorous, rate-based model for an NH 3 –CO 2 –SO 2 –H 2 O system was developed and used to simulate the proposed process. The model was thermodynamically and kinetically validated by experimental results from the open literature and pilot-plant trials, respectively. Under typical flue gas conditions, the proposed process has SO 2 removal and NH 3 reuse efficiencies of >99.9%. The process is strongly adaptable to different scenarios such as high SO 2 levels in flue gas, high NH 3 levels from the CO 2 absorber and high flue gas temperatures, and has a low energy requirement. Because the process simplifies flue gas desulphurisation and resolves the problems of NH 3 loss and SO 2 removal, it could significantly reduce the cost of CO 2 and SO 2 capture by aqueous NH 3

Influence of concentration and temperature on tunneling and rotational dynamics of ammonium in Rb1-x (NH4)x I mixed crystals

International Nuclear Information System (INIS)

Natkaniec, I.; Dianoux, A.J.; Martinez-Sarrion, M.L.; Mestres, L.; Herraiz, M.; Smirnov, L.S.; Shuvalov, L.A.

2001-01-01

The Rb 1x (NH 4 ) x I mixed crystals are studied by inelastic incoherent neutron scattering using time-of-flight spectrometers in the concentration region of the x-T phase diagram 0.01≤x≤0.66 at 5≤T≤150K, where dynamic and static orientational disorder phases are generally found. It is shown that at 5 K rotational tunneling levels for ammonium concentrations x=0.01, 0.02 and 0.06 are similar. Additional tunneling levels are observed for x=0.16 which can be explained as the result of T-states splitting for account of NH 4 -NH 4 interaction. Tunneling levels are not observed for x=0.40 as the result of forming of orientational glass state. The elastic incoherent structure factors for concentrations 0.01≤x≤0.16 (dynamic orientational disordered α-phase), x=0.40 (orientational glass state) and 0.50≤x≤0.66 (orientational ordered state) have different temperature dependences

Heisenberg magnetic chain with single-ion easy-plane anisotropy: Hubbard operators approach

International Nuclear Information System (INIS)

Spirin, D.V.; Fridman, Y.A.

2003-01-01

We investigate the gap in excitation spectrum of one-dimensional S=1 ferro- and antiferromagnets with easy-plane single-ion anisotropy. The self-consistent modification of Hubbard operators approach which enables to account single-site term exactly is used. For antiferromagnetic model we found Haldane phase that exists up to point D=4J (where D is anisotropy parameter, J is exchange coupling), while quadrupolar phase realizes at larger values of anisotropy. Our results specify those of Golinelli et al. (Phys. Rev. B. 45 (1992) 9798), where similar model was studied. Besides the method gives gap value closer to numerical estimations than usual spin-wave theories

Spin Interactions and Cross-checks of Polarization in NH$_{3}$ Target

CERN Document Server

Kiselev, Yu; Doshita, N; Gautheron, F; Hess, Ch; Iwata, T; Koivuniemi, J; Kondo, K; Magnon, A; Mallot, G; Michigami, T; Meyer, W; Reicherz, G

2008-01-01

We study the magnetic structure of irradiated ammonia (NH$_{3}$) polarized by Dynamic Nuclear Polarization method at 0.2 K and at 2.5 T field. In this material, the electron spins, induced by ionizing radiation, couple $^{14}$N and $^{1}$H spins by the indirect spin-spin interaction. As a result, the local frequencies of $^{1}$H-spins are varied depending on $^{14}$N spin polarizations and lead to an asymmetry in the proton signal. This asymmetry allowes a good detection of $^{14}$N spins directly on the proton Larmor frequency. In the long COMPASS target at CERN, we use the cross-checks between spectral asymmetries and integral polarizations to decrease the relative error for longitudinal target polarizations up to $\\pm$2.0%.

Hubbard Glacier, Alaska: growing and advancing in spite of global climate change and the 1986 and 2002 Russell Lake outburst floods

Science.gov (United States)

Trabant, Dennis C.; March, Rod S.; Thomas, Donald S.

2003-01-01

Hubbard Glacier, the largest calving glacier on the North American Continent (25 percent larger than Rhode Island), advanced across the entrance to 35-mile-long Russell Fiord during June 2002, temporarily turning it into a lake. Hubbard Glacier has been advancing for more than 100 years and has twice closed the entrance to Russell Fiord during the last 16 years by squeezing and pushing submarine glacial sediments across the mouth of the fiord. Water flowing into the cutoff fiord from mountain streams and glacier melt causes the level of Russell Lake to rise. However, both the 1986 and 2002 dams failed before the lake altitude rose enough for water to spill over a low pass at the far end of the fiord and enter the Situk River drainage, a world-class sport and commercial fishery near Yakutat, Alaska.

Effect of metal ions doping (M = Ti4+, Sn4+) on the catalytic performance of MnOx/CeO2 catalyst for low temperature selective catalytic reduction of NO with NH3

Science.gov (United States)

Xiong, Yan; Tang, Changjin; Dong, Lin

2015-04-01

Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, PR China The abatement of nitrogen oxides (NOx) emission from exhaust gases of diesel and stationary sources is a significant challenge for economic and social development. Ceria-based solid solutions were synthesized and used as supports to prepare MnOx/Ce0.8Ti0.2O2 and MnOx/Ce0.8Sn0.2O2 catalysts (Mn/CeTi and Mn/CeSn) for low temperature selective catalytic reduction of NO by NH3 (NH3-SCR). The effects of Ti or Sn doping on the catalytic performance of MnOx/CeO2 catalyst were investigated. Experimental results show that doping of Ti or Sn increases the NO removal efficiency of MnOx/CeO2. The NO conversion of Mn/CeTi catalyst is more than 90 % at temperature window of 175 ~ 300 °C under a gas hour space velocity of 60,000 mL.g-1.h-1. Modified catalysts are also found to exhibit greatly improved resistance to sulfur-poisoning. NH3-TPD results suggest that NH3 desorption on the catalysts is observed over a wide temperature range, due to the variability of adsorbed NH3 species with different thermal stabilities. Doping of Ti and Sn into Mn/CeO2 greatly increased the NH3 adsorption ability of the composites which could promote the SCR reaction. Characterization results also indicate that doping of Ti or Sn brings about catalysts with higher BET surface area, enhanced oxygen storage capacity and increased surface acidity.

Ratiometric Fluorescence Sensing and Real-Time Detection of Water in Organic Solvents with One-Pot Synthesis of Ru@MIL-101(Al)-NH2.

Science.gov (United States)

Yin, Hua-Qing; Yang, Ji-Chun; Yin, Xue-Bo

2017-12-19

Ratiometric fluorescence detection attracts much attention because of its decreased environmental influence and easy-to-differentiate color and intensity change. Herein, a guest-encapsulation metal-organic framework (MOF), Ru@MIL-NH 2 , is prepared with 2-aminoterephthalic acid, AlCl 3 , and Ru(bpy) 3 2+ by a simple one-pot method for ratiometric fluorescence sensing of water in organic solvents. The rational selection of the excitation wavelength provides dual emission at 465 and 615 nm from Ru@MIL-NH 2 under a single excitation of 300 nm. High sensitivity, low detection limit (0.02% v/v), wide response range (0-100%), and fast response (less than 1 min) are obtained for ratiometric fluorescence sensing of water under single excitation with Ru@MIL-NH 2 as the probe. Moreover, the result of water content is independent of the concentration of Ru@MIL-NH 2 as the merit of ratiometric fluorescence detection. The response mechanism reveals that the protonation of the nitrogen atom of the MIL-NH 2 , the π-conjugation system, and the stable fluorescence of Ru(bpy) 3 2+ achieve the ratiometric fluorescence. The analysis of real spirit samples confirms the proposed method. A test strip is prepared with Ru@MIL-NH 2 for convenient use. We believe that such turn-on ratiometric host-guest MOFs and the rational selection of excitation wavelength will offer guidance for ratiometric fluorescence detection with wide applications.

Esterification and hydrolysis of vitamin A in the liver of brook trout (Salvelinus fontinalis) and the influence of a coplanar polychlorinated biphenyl

International Nuclear Information System (INIS)

Ndayibagira, A.; Spear, P.A.

1999-01-01

Recent reports of extremely low retinoid stores in fish living in contaminated river systems prompted an initial investigation of the mechanisms of hepatic storage and mobilization in brook trout. Enzyme characterization in microsomes revealed a lecithin:retinol acyltransferase activity (LRAT) optimum in the alkaline range (pH 9.0; V max =0.6 nmol per mg prot. h -1 ; K m =10.2 μM) which is not known to occur in mammals, in addition to a secondary optimum at pH 6.5 typical of mammals. Acyl CoA:retinol acyltransferase (ARAT) kinetic parameters were quite different to those of mammals. The substrate affinity of trout ARAT (K m =1.6 μM) was approximately 22-fold greater than that of the rat while maximal velocity (V max =0.2 nmol per mg prot. h -1 ) was 18-fold less. Retinyl ester hydrolase activity (REH) was optimal under acid conditions (pH 4.2; V max =6.6 nmol per mg prot. h -1 ; K m =0.6 mM), was inhibited by a bile salt analogue and was greater in males than females. This REH was tentatively categorized as a bile salt-independent, acid retinyl ester hydrolase (BSI-AREH). REH was inhibited in a dose-dependent manner following in vivo exposure to a representative environmental contaminant the coplanar polychlorinated biphenyl (PCB), 3,3minutes or feet,4,4minutes or feet-tetrachlorobiphenyl (TCBP). Inhibition may be an indirect effect because enzyme activity was not affected by in vitro exposure of control microsomes. REH inhibition in the brook trout may affect the uptake of retinyl esters (REs) from chylomicron remnants as well as the mobilization of stored REs. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

NH AND Mg INDEX TRENDS IN ELLIPTICAL GALAXIES

International Nuclear Information System (INIS)

Serven, Jedidiah; Worthey, Guy; Toloba, Elisa; Sanchez-Blazquez, Patricia

2011-01-01

We examine the spectrum in the vicinity of the NH3360 index of Davidge and Clark, which was defined to measure the NH absorption around 3360 A and shows almost no trend with velocity dispersion, unlike other N-sensitive indices, which show a strong trend. Computing the effect of individual elements on the integrated spectrum with synthetic stellar population integrated spectra, we find that, while being well correlated with nitrogen abundance, NH3360 is almost equally well anti-correlated with Mg abundance. This prompts the definition of two new indices, Mg3334, which is mostly sensitive to magnesium, and NH3375, which is mostly sensitive to nitrogen. Rather surprisingly, we find that the new NH3375 index shows a trend versus optical absorption feature indices that is as shallow as the NH3360 index. We hypothesize that the lack of a strong index trend in these near-UV indices is due to the presence of an old metal-poor component of the galactic population. Comparison of observed index trends and those predicted by models shows that a modest fraction of an old, metal-poor stellar population could easily account for the observed flat trend in these near-UV indices while still allowing substantial N abundance increase in the larger galaxies.

Phase separation of superconducting phases in the Penson–Kolb–Hubbard model

International Nuclear Information System (INIS)

Kapcia, Konrad Jerzy; Czart, Wojciech Robert; Ptok, Andrzej

2016-01-01

In this paper, we determine the phase diagrams (for T = 0 as well as T > 0) of the Penson–Kolb–Hubbard model for two dimensional square lattice within Hartree–Fock mean-field theory focusing on an investigation of superconducting phases and on a possibility of the occurrence of the phase separation. We obtain that the phase separation, which is a state of coexistence of two different superconducting phases (with s- and η-wave symmetries), occurs in definite ranges of the electron concentration. In addition, increasing temperature can change the symmetry of the superconducting order parameter (from η-wave into s-wave). The system considered exhibits also an interesting multicritical behaviour including bicritical points. The relevance of the results to experiments for real materials is also discussed. (author)

Phase Separation of Superconducting Phases in the Penson-Kolb-Hubbard Model

Science.gov (United States)

Jerzy Kapcia, Konrad; Czart, Wojciech Robert; Ptok, Andrzej

2016-04-01

In this paper, we determine the phase diagrams (for T = 0 as well as T > 0) of the Penson-Kolb-Hubbard model for two dimensional square lattice within Hartree-Fock mean-field theory focusing on an investigation of superconducting phases and on a possibility of the occurrence of the phase separation. We obtain that the phase separation, which is a state of coexistence of two different superconducting phases (with s- and η-wave symmetries), occurs in definite ranges of the electron concentration. In addition, increasing temperature can change the symmetry of the superconducting order parameter (from η-wave into s-wave). The system considered exhibits also an interesting multicritical behaviour including bicritical points. The relevance of the results to experiments for real materials is also discussed.

Eliminating amino acid interference during spectrophotometric NH4+ analysis

NARCIS (Netherlands)

Ros, G.H.; Leeuwen, van A.G.; Temminghoff, E.J.M.

2011-01-01

Amino acids can interfere with NH4+ in spectrophotometric NH4+ determination hampering accurate quantification of the fate of NH4+ and dissolved organic N in soils. Serious interference has been reported for soils rich in organic matter, and for soils that have been fumigated, oven-dried or

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

International Nuclear Information System (INIS)

Proville, L.

1998-01-01

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

Kinetics of selected elementary reactions of NH(a{sup 1}{delta}) or ND(a{sup {delta}}), NH(X{sup 3}{sigma}{sup -}) or ND(X{sup 3}{sigma}{sup -}) and NH{sub 2}(X), NHD(X), NH{sub 2}(X) radicals; Untersuchung der Kinetik ausgewaehlter Elementarreaktionen von NH(a{sup 1}{delta})- bzw. ND(a{sup 1}{delta})-, NH(X{sup 3}{sigma}{sup -})- bzw. ND(X{sup 3}{sigma}{sup -})- und NH{sub 2}(X)-, NHD(X)-, ND{sub 2}(X)-Radikalen

Energy Technology Data Exchange (ETDEWEB)

Adam, L.

2002-02-01

The elementary reactions of the NH and ND radicals in the ground state and the first excited state with H({sup 2}S) atoms and with molecules containing hydrogen and fluorine element bonds were investigated in the gaseous phase at a pressure of p = 7-80 bar. The elementary reactions of the NH{sub 2}, NHD and ND{sub 2} radicals in the ground state with hydrogen halides in the gaseous phase were investigated as well. [German] Die Elementarreaktionen des NH- bzw. ND-Radikals im Elektronengrundzustand und im ersten elektronisch angeregten Zustand mit H({sup 2}S)-Atomen und mit Molekuelen, die Wasserstoff- und Fluor-Elementbindungen besitzen, wurden in der Gasphase bei einem Druck von p = 7 - 80 mbar untersucht. Weiterhin wurden die Elementarreaktionen der NH{sub 2}-, NHD- bzw. ND{sub 2}-Radikale im Elektronengrundzustand mit Halogenwasserstoffen in der Gasphase untersucht. (orig.)

Experimental Conditions: SE3_S02_M02_D02 [Metabolonote[Archive

Lifescience Database Archive (English)

Full Text Available SE3_S02_M02_D02 SE3 Comparison of fruit metabolites among tomato varieties 1 SE3_S0...2 Solanum lycopersicum House Momotaro fruit SE3_S02_M02 6.7 mg [MassBase ID] MDLC1_25530 SE3_MS1 LC-FT-ICR-M

Investigation of a four-body coupling in the one-dimensional extended Penson-Kolb-Hubbard model

Science.gov (United States)

Ding, Hanqin; Ma, Xiaojuan; Zhang, Jun

2017-09-01

The experimental advances in cold fermion gases motivates the investigation of a one-dimensional (1D) correlated electronic system by incorporating a four-body coupling. Using the low-energy field theory scheme and focusing on the weak-coupling regime, we extend the 1D Penson-Kolb-Hubbard (PKH) model at half filling. It is found that the additional four-body interaction may significantly modify the quantum phase diagram, favoring the presence of the superconducting phase even in the case of two-body repulsions.

On the volatility of nihonium (Nh, Z = 113)

Energy Technology Data Exchange (ETDEWEB)

Aksenov, Nikolay V.; Steinegger, Patrick; Abdullin, Farid Sh.; Albin, Yury V.; Chepigin, Viktor I.; Lebedev, Vyacheslav Ya.; Madumarov, Alexander Sh.; Malyshev, Oleg N.; Petrushkin, Oleg V.; Polyakov, Alexander N.; Popov, Yury A.; Sabel' nikov, Alexey V.; Sagaidak, Roman N.; Shirokovsky, Igor V.; Shumeiko, Maksim V.; Starodub, Gennadii Ya.; Tsyganov, Yury S.; Utyonkov, Vladimir K.; Voinov, Alexey A.; Vostokin, Grigory K.; Yeremin, Alexander V.; Dmitriev, Sergey N. [Flerov Laboratory of Nuclear Reactions, Joint Institute for Nuclear Research, Dubna (Russian Federation); Bozhikov, Gospodin A. [Flerov Laboratory of Nuclear Reactions, Joint Institute for Nuclear Research, Dubna (Russian Federation); Institute for Advanced Physical Studies, Sofia (Bulgaria); Eichler, Robert [Laboratory of Radiochemistry, Paul Scherrer Institute, Villigen PSI (Switzerland); Departement fuer Chemie und Biochemie, Universitaet Bern, Bern (Switzerland)

2017-07-15

Gas-phase chromatography studies of nihonium (Nh, Z = 113) were carried out at the one-atom-at-a-time level. For the production of nihonium, the heavy-ion-induced nuclear fusion reaction of {sup 48}Ca with {sup 243}Am was used. This leads to isotopes {sup 284,285}Nh, as the direct descendants of the α-decaying precursors {sup 288,289}Mc. Combining the Dubna Gas-Filled Recoil Separator with gas-phase chromatographic separation, the experiment was sensitive to elemental nihonium and its adsorption behavior on Teflon, theoretically predicted by modern relativistic density functional theory. The non-observation of any decays of Nh after the chemical separation indicates a larger than expected retention of elemental Nh on a Teflon surface. (orig.)

75 FR 7287 - John Hay National Wildlife Refuge, Merrimack County, NH

Science.gov (United States)

2010-02-18

... shape the almost 80 acres of mature upland forest to maintain the cultural legacy, encourage natural... Canada warbler and wood thrush). Natural processes would also shape the fens, vernal pools, and other... and riparian corridor along the approximately 1,750 feet of Beech Brook on the refuge for species...

[UO2(NH3)5]Br2·NH3: synthesis, crystal structure, and speciation in liquid ammonia solution by first-principles molecular dynamics simulations.

Science.gov (United States)

Woidy, Patrick; Bühl, Michael; Kraus, Florian

2015-04-28

Pentaammine dioxido uranium(VI) dibromide ammonia (1/1), [UO2(NH3)5]Br2·NH3, was synthesized in the form of yellow crystals by the reaction of uranyl bromide, UO2Br2, with dry liquid ammonia. The compound crystallizes orthorhombic in space group Cmcm and is isotypic to [UO2(NH3)5]Cl2·NH3 with a = 13.2499(2), b = 10.5536(1), c = 8.9126(1) Å, V = 1246.29(3) Å(3) and Z = 4 at 123 K. The UO2(2+) cation is coordinated by five ammine ligands and the coordination polyhedron can be best described as pentagonal bipyramid. Car-Parrinello molecular dynamics simulations are reported for [UO2(NH3)5](2+) in the gas phase and in liquid NH3 solution (using the BLYP density functional). According to free-energy simulations, solvation by ammonia has only a small effect on the uranyl-NH3 bond strength.

Throughfall and stemflow chemistry in a northern hardwood forest

Energy Technology Data Exchange (ETDEWEB)

Eaton, J S; Likens, G E; Bormann, F H

1973-01-01

The contribution of throughfall and stemflow as pathways of the intrasystem nutrient cycle within the forested Hubbard Brook ecosystem was investigated. Nutrients followed were Ca, Mg, K, Na, NO/sub 3/, SO/sub 4/, NH/sub 4/, Fl, PO/sub 4/, H, organic N, and organic matter. Variation in throughfall and stemflow chemistry were determined under American beech, sugar maple, and yellow birch, the three major species comprising the forest studied. Nutrients generally recognized as being associated with organic molecules (e.g. P, N) moved more slowly from the forest canopy to the forest floor. These nutrients moved out of the canopy primarily via litterfall. Nutrients more commonly found in an ionic form (e.g. K) were found to move very rapidly from the forest canopy to the available nutrient pool in throughfall and stemflow. A comparison is made between the amount of each nutrient present in the forest canopy and the amount of these nutrients found in the throughfall and stemflow. The importance of hydrogen ion exchange in the removal of cations from the forest canopy is shown. Precipitation of low pH probably acts to accelerate the intrasystem cycling of nutrients within forested ecosystems. Total nutrient removal from the forest canopy by throughfall and stemflow is presented along with a comparison with the removal by litterfall.

AMT1;1 transgenic rice plants with enhanced NH4(+) permeability show superior growth and higher yield under optimal and suboptimal NH4(+) conditions.

Science.gov (United States)

Ranathunge, Kosala; El-Kereamy, Ashraf; Gidda, Satinder; Bi, Yong-Mei; Rothstein, Steven J

2014-03-01

The major source of nitrogen for rice (Oryza sativa L.) is ammonium (NH4(+)). The NH4(+) uptake of roots is mainly governed by membrane transporters, with OsAMT1;1 being a prominent member of the OsAMT1 gene family that is known to be involved in NH4(+) transport in rice plants. However, little is known about its involvement in NH4(+) uptake in rice roots and subsequent effects on NH4(+) assimilation. This study shows that OsAMT1;1 is a constitutively expressed, nitrogen-responsive gene, and its protein product is localized in the plasma membrane. Its expression level is under the control of circadian rhythm. Transgenic rice lines (L-2 and L-3) overexpressing the OsAMT1;1 gene had the same root structure as the wild type (WT). However, they had 2-fold greater NH4(+) permeability than the WT, whereas OsAMT1;1 gene expression was 20-fold higher than in the WT. Analogous to the expression, transgenic lines had a higher NH4(+) content in the shoots and roots than the WT. Direct NH4(+) fluxes in the xylem showed that the transgenic lines had significantly greater uptake rates than the WT. Higher NH4(+) contents also promoted higher expression levels of genes in the nitrogen assimilation pathway, resulting in greater nitrogen assimilates, chlorophyll, starch, sugars, and grain yield in transgenic lines than in the WT under suboptimal and optimal nitrogen conditions. OsAMT1;1 also enhanced overall plant growth, especially under suboptimal NH4(+) levels. These results suggest that OsAMT1;1 has the potential for improving nitrogen use efficiency, plant growth, and grain yield under both suboptimal and optimal nitrogen fertilizer conditions.

AMT1;1 transgenic rice plants with enhanced NH4 + permeability show superior growth and higher yield under optimal and suboptimal NH4 + conditions

Science.gov (United States)

Rothstein, Steven J.

2014-01-01

The major source of nitrogen for rice (Oryza sativa L.) is ammonium (NH4 +). The NH4 + uptake of roots is mainly governed by membrane transporters, with OsAMT1;1 being a prominent member of the OsAMT1 gene family that is known to be involved in NH4 + transport in rice plants. However, little is known about its involvement in NH4 + uptake in rice roots and subsequent effects on NH4 + assimilation. This study shows that OsAMT1;1 is a constitutively expressed, nitrogen-responsive gene, and its protein product is localized in the plasma membrane. Its expression level is under the control of circadian rhythm. Transgenic rice lines (L-2 and L-3) overexpressing the OsAMT1;1 gene had the same root structure as the wild type (WT). However, they had 2-fold greater NH4 + permeability than the WT, whereas OsAMT1;1 gene expression was 20-fold higher than in the WT. Analogous to the expression, transgenic lines had a higher NH4 + content in the shoots and roots than the WT. Direct NH4 + fluxes in the xylem showed that the transgenic lines had significantly greater uptake rates than the WT. Higher NH4 + contents also promoted higher expression levels of genes in the nitrogen assimilation pathway, resulting in greater nitrogen assimilates, chlorophyll, starch, sugars, and grain yield in transgenic lines than in the WT under suboptimal and optimal nitrogen conditions. OsAMT1;1 also enhanced overall plant growth, especially under suboptimal NH4 + levels. These results suggest that OsAMT1;1 has the potential for improving nitrogen use efficiency, plant growth, and grain yield under both suboptimal and optimal nitrogen fertilizer conditions. PMID:24420570

About long range pairing correlations in the Hubbard U-t-t' models

International Nuclear Information System (INIS)

Moreo, A.

1991-01-01

Using a quantum Monte Carlo method the authors measured pair correlation functions with different symmetries as a function of the filling, U/t and t'/t for the Hubbard and U-t-t' models. For the first time the Monte Carlo results are presented for U/t larger than the bandwidth 8t, away from half-filling. D-wave and extended S-wave pairing correlations are enhanced. D-wave pairing is stronger at half-filling but this behavior is reversed when the filling decreases. However, none of the eight pairing correlations that were studied increases as a function of lattice size, which makes the existence of long range superconducting order unlikely. (author). 10 refs.; 5 figs

Stable-unstable transition for a Bose-Hubbard chain coupled to an environment

Science.gov (United States)

Guo, Chu; de Vega, Ines; Schollwöck, Ulrich; Poletti, Dario

2018-05-01

Interactions in quantum systems may induce transitions to exotic correlated phases of matter which can be vulnerable to coupling to an environment. Here, we study the stability of a Bose-Hubbard chain coupled to a bosonic bath at zero and nonzero temperature. We show that only above a critical interaction the chain loses bosons and its properties are significantly affected. The transition is of a different nature than the superfluid-Mott-insulator transition and occurs at a different critical interaction. We explain such a stable-unstable transition by the opening of a global charge gap. The comparison of accurate matrix product state simulations to approximative approaches that miss this transition reveals its many-body origin.

Rényi Entropies from Random Quenches in Atomic Hubbard and Spin Models

Science.gov (United States)

Elben, A.; Vermersch, B.; Dalmonte, M.; Cirac, J. I.; Zoller, P.

2018-02-01

We present a scheme for measuring Rényi entropies in generic atomic Hubbard and spin models using single copies of a quantum state and for partitions in arbitrary spatial dimensions. Our approach is based on the generation of random unitaries from random quenches, implemented using engineered time-dependent disorder potentials, and standard projective measurements, as realized by quantum gas microscopes. By analyzing the properties of the generated unitaries and the role of statistical errors, with respect to the size of the partition, we show that the protocol can be realized in existing quantum simulators and used to measure, for instance, area law scaling of entanglement in two-dimensional spin models or the entanglement growth in many-body localized systems.

Evaluation of the phase composition of (NH4)2SO4 + (NH4)H2PO4 mixtures by X-ray diffractometry

International Nuclear Information System (INIS)

Ortiz, Angel L.; Cumbrera, Francisco L.; Perez, Jose; Vas, Beatriz del; Perez, Eduardo

2009-01-01

The phase composition of standard (NH 4 ) 2 SO 4 + (NH 4 )H 2 PO 4 mixtures was investigated by X-ray diffractometry (XRD) using the internal-standard, reference-intensity-ratio, and Rietveld methods. It was found that the Rietveld method yields the most accurate phase-composition measurements, with an average error of ∼2 wt.%. It was also found that the internal-standard method is only effective in determining the phase composition if the calibration curve for (NH 4 )H 2 PO 4 is used, giving an average error of ∼6.5 wt.%. On the contrary, the internal-standard method with the calibration curve of the (NH 4 ) 2 SO 4 phase and the reference-intensity-ratio method are not valid. The inappropriateness of these two methods was attributed to graininess in the (NH 4 ) 2 SO 4 phase, with the attendant deviation of its diffracted intensities from the theoretical values. Direct scanning electron microscopy observations of the morphology of the powder particles in the mixtures showed clear evidence of the large agglomerates formed because the individual powder particles are partially sintered together during milling, thus corroborating the graininess determined by the XRD analyses. Finally, the implications of the present study for the quantitative phase-composition analysis of (NH 4 ) 2 SO 4 + (NH 4 )H 2 PO 4 mixtures, which are of great technological importance for the fire prevention industry, are discussed.

Preparation of silver chloride nanoparticles by a mechanical treatment of the system NH4Cl−AgNO3−NH4NO3

Directory of Open Access Journals (Sweden)

Farit Urakaev

2014-08-01

Full Text Available Silver chloride nanoparticles dispersed within ammonium nitrate matrix have been prepared though displacement mechanochemical reaction NH4Cl + AgNO3 + z NH4NO3 = (z+1 NH4 NO3 + AgCl at various z coefficients z1 = 7.22 and z2 = 3.64. The intermediate compound of NH4Ag(NO32 were recorded after mechanochemical processing of studied system. By using simultaneous TG and DSC measurements possibilities to prepare silver chloride in its free form have been discussed by using thermal treatment.

Detection of the HC3NH+ and HCNH+ ions in the L1544 pre-stellar core

Science.gov (United States)

Quénard, D.; Vastel, C.; Ceccarelli, C.; Hily-Blant, P.; Lefloch, B.; Bachiller, R.

2017-09-01

The L1544 pre-stellar core was observed as part of the ASAI (Astrochemical Surveys At IRAM) Large Program. We report the first detection in a pre-stellar core of the HCNH+ and HC3NH+ ions. The high spectral resolution of the observations allows us to resolve the hyperfine structure of HCNH+. Local thermodynamic equilibrium (LTE) analysis leads to derive a column density equal to (2.0 ± 0.2) × 1013 cm-2 for HCNH+ and (1.5 ± 0.5) × 1011 cm-2 for HC3NH+. We also present non-LTE analysis of five transitions of HC3N, three transitions of H13CN and one transition of HN13C, all of them linked to the chemistry of HCNH+ and HC3NH+. We computed for HC3N, HCN and HNC a column density of (2.0 ± 0.4) × 1013 cm-2, (3.6 ± 0.9) × 1014 cm-2 and (3.0 ± 1.0) × 1014 cm-2, respectively. We used the gas-grain chemical code nautilus to predict the abundances of all these species across the pre-stellar core. Comparison of the observations with the model predictions suggests that the emission from HCNH+ and HC3NH+ originates in the external layer where non-thermal desorption of other species was previously observed. The observed abundance of both ionic species ([HCNH+] ≃ 3 × 10-10 and [HC3NH+] ≃ [1.5 - 3.0] × 10-12, with respect to H2) cannot be reproduced at the same time by the chemical modelling within the error bars of the observations only. We discuss the possible reasons for the discrepancy and suggest that the current chemical models are not fully accurate or complete. However, the modelled abundances are within a factor of 3, consistent with the observations, considering a late stage of the evolution of the pre-stellar core, compatible with previous observations.

Emergent low-energy bound states in the two-orbital Hubbard model

Science.gov (United States)

Núñez-Fernández, Y.; Kotliar, G.; Hallberg, K.

2018-03-01

A repulsive Coulomb interaction between electrons in different orbitals in correlated materials can give rise to bound quasiparticle states. We study the nonhybridized two-orbital Hubbard model with intra- (inter)orbital interaction U (U12) and different bandwidths using an improved dynamical mean-field theory numerical technique which leads to reliable spectra on the real energy axis directly at zero temperature. We find that a finite density of states at the Fermi energy in one band is correlated with the emergence of well-defined quasiparticle states at excited energies Δ =U -U12 in the other band. These excitations are interband holon-doublon bound states. At the symmetric point U =U12 , the quasiparticle peaks are located at the Fermi energy, leading to a simultaneous and continuous Mott transition settling a long-standing controversy.

Floquet Engineering of Correlated Tunneling in the Bose-Hubbard Model with Ultracold Atoms.

Science.gov (United States)

Meinert, F; Mark, M J; Lauber, K; Daley, A J; Nägerl, H-C

2016-05-20

We report on the experimental implementation of tunable occupation-dependent tunneling in a Bose-Hubbard system of ultracold atoms via time-periodic modulation of the on-site interaction energy. The tunneling rate is inferred from a time-resolved measurement of the lattice site occupation after a quantum quench. We demonstrate coherent control of the tunneling dynamics in the correlated many-body system, including full suppression of tunneling as predicted within the framework of Floquet theory. We find that the tunneling rate explicitly depends on the atom number difference in neighboring lattice sites. Our results may open up ways to realize artificial gauge fields that feature density dependence with ultracold atoms.

Appendix S-NH-1 and S-NH-2 of the experiment operating specification for the semiscale MOD-2C small break LOCA without HPI experiment series

International Nuclear Information System (INIS)

Owca, W.A.

1985-10-01

This document is Appendix S-NH--1 and S-NH-2 of the Experiment Operating Specification (EOS) for the Small Break LOCA without high pressure injection (HPI) series. It contains detailed information on the S-NH-1 and S-NH-2 experiment operation and facility configuration necessary to meet the series objectives stated in the main EOS body. 14 refs., 17 figs

Review of ASME-NH Design Materials for Creep-Fatigue

International Nuclear Information System (INIS)

Koo, Gyeong Hoi; Kim, Jong Bum

2010-01-01

To review and recommend the candidate design materials for the Sodium-Cooled Fast Reactor, the material sensitivity evaluations by the comparison of design data between the ASME-NH materials were performed by using the SIE ASME-NH computer program implementing the material database of the ASME-NH. The design material data provided by the ASME-NH code are the elastic modulus and yield Strength, Time-Independent Allowable Stress Intensity value, time-dependent allowable stress intensity value, expected minimum stress-to rupture value, stress rupture Factors for weldment, isochronous stress-strain curves, and design fatigue curves. Among these, the data related with the creep-fatigue evaluation are investigated in this study

Dynamics of a quantum phase transition in the Bose-Hubbard model: Kibble-Zurek mechanism and beyond

Science.gov (United States)

Shimizu, Keita; Kuno, Yoshihito; Hirano, Takahiro; Ichinose, Ikuo

2018-03-01

In this paper, we study the dynamics of the Bose-Hubbard model by using time-dependent Gutzwiller methods. In particular, we vary the parameters in the Hamiltonian as a function of time, and investigate the temporal behavior of the system from the Mott insulator to the superfluid (SF) crossing a second-order phase transition. We first solve a time-dependent Schrödinger equation for the experimental setup recently done by Braun et al. [Proc. Natl. Acad. Sci. USA 112, 3641 (2015)] and show that the numerical and experimental results are in fairly good agreement. However, these results disagree with the Kibble-Zurek scaling. From our numerical study, we reveal a possible source of the discrepancy. Next, we calculate the critical exponents of the correlation length and vortex density in addition to the SF order parameter for a Kibble-Zurek protocol. We show that beside the "freeze" time t ̂, there exists another important time, teq, at which an oscillating behavior of the SF amplitude starts. From calculations of the exponents of the correlation length and vortex density with respect to a quench time τQ, we obtain a physical picture of a coarsening process. Finally, we study how the system evolves after the quench. We give a global picture of dynamics of the Bose-Hubbard model.

Extended Bose Hubbard model of interacting bosonic atoms in optical lattices: From superfluidity to density waves

International Nuclear Information System (INIS)

Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.

2006-01-01

For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters

Synthesis of 15N-enriched urea (CO(15NH22 from 15NH3, CO, and S in a discontinuous process

Directory of Open Access Journals (Sweden)

C. R. Sant Ana Filho

2012-12-01

Full Text Available CO(15NH22 enriched with the stable isotope 15N was synthesized based on a reaction involving CO, 15NH3, and S in the presence of CH3OH. The method differs from the industrial method; a stainless steel reactor internally lined with polytetrafluoroethylene (PTFE was used in a discontinuous process under low pressure and temperature. The yield of the synthesis was evaluated as a function of the parameters: the amount of reagents, reaction time, addition of H2S, liquid solution and reaction temperature. The results showed that under optimum conditions (1.36, 4.01, and 4.48 g of 15NH3, CO, and S, respectively, 40 ml CH3OH, 40 mg H2S, 100 ºC and 120 min of reaction 1.82 g (yield 76.5% of the compound was obtained per batch. The synthesized CO(15NH22 contained 46.2% N, 0.55% biuret, melting point of 132.55 ºC and did not exhibit isotopic fractionation. The production cost of CO(15NH22 with 90.0 at. % 15N was US$ 238.60 per gram.

Algebra of orthofermions and equivalence of their thermodynamics to the infinite U Hubbard model

International Nuclear Information System (INIS)

Kishore, R.; Mishra, A.K.

2006-01-01

The equivalence of thermodynamics of independent orthofermions to the infinite U Hubbard model, shown earlier for the one-dimensional infinite lattice, has been extended to a finite system of two lattice sites. Regarding the algebra of orthofermions, the algebraic expressions for the number operator for a given spin and the spin raising (lowering) operators in the form of infinite series are rearranged in such a way that the ith term, having the form of an infinite series, of the number (spin raising (lowering)) operator represents the number (spin raising (lowering)) operator at the ith lattice site

Band gap depiction of quaternary FeMnTiAl alloy using Hubbard (U) potential

Science.gov (United States)

Bhat, Tahir Mohiuddin; Yousuf, Saleem; Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2018-05-01

We have employed self-consistent ab-initio calculations to investigate new quaternary alloy FeMnTiAl by applying Hubbard potential (U). The alloy is found to be stable in ferromagnetic phase with cubic structure. The alloy shows half-metallic (HM) ferromagnet character. The values of minority band gap FeMnTiAl are found to be 0.33 eV respectively. Electronic charge density reveals that both types of bonds covalent as well as ionic are present in the alloy. Thus the new quaternary alloy can be proved as vital contender for spin valves and spin generator devices.

Collapse and revival in inter-band oscillations of a two-band Bose-Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Ploetz, Patrick; Wimberger, Sandro [Institut fuer Theoretische Physik, Universitaet Heidelberg, Philosophenweg 19, 69120 Heidelberg (Germany); Madronero, Javier, E-mail: ploetz@thphys.uni-heidelberg.d [Physik Department, Technische Universitaet Muenchen, James-Franck-Str. 1, 85748 Garching (Germany)

2010-04-28

We study the effect of a many-body interaction on inter-band oscillations in a two-band Bose-Hubbard model with an external Stark force. Weak and strong inter-band oscillations are observed, where the latter arise from a resonant coupling of the bands. These oscillations collapse and revive due to a weak two-body interaction between the atoms. Effective models for oscillations in and out of resonance are introduced that provide predictions for the system's behaviour, particularly for the time scales for the collapse and revival of the resonant inter-band oscillations. (fast track communication)

Maintenance of phenotypic variation: repeatibility, heritability, and size-dependent processes in a wild brook trout population

Science.gov (United States)

Benjamin H. Letcher; Jason A Coombs; Keith H. Nislow

2011-01-01

Phenotypic variation in body size can result from within-cohort variation in birth dates, among-individual growth variation and size-selective processes. We explore the relative effects of these processes on the maintenance of wide observed body size variation in stream-dwelling brook trout (Salvelinus fontinalis). Based on the analyses of multiple...

Energetics of fragmentation of CH5, H3O, and NH4 from neutralized ion-beam experiments

International Nuclear Information System (INIS)

Williams, B.W.; Porter, R.F.

1980-01-01

Fragmentation energies for radicals of the type RH 2 (RH=CH 4 , NH 3 , and H 2 O) produced by electron capture interactions of 5 keV RH 2 + ion with Na or K atoms are reported. The experimental technique involves measurement of spatial beam profiles resulting from dissociation of neutral radicals following their formation in a near resonant electron transfer process. Cross sections for RH 2 + --Na capture reactions are typically 1x10 -14 cm 2 . Fragmentation energies from measurements with Na target atoms are -2.65 +- 0.14, -0.22 +- 0.03, and -1.12 +- 0.07 eV for CH 5 , NH 4 , and H 3 O, respectively. From our results with Na and K targets and published values for proton affinities, the vertical electron affinities of CH 5 + and H 3 O + are calculated to be 5.3 +- 0.2 eV and 5.1 +- 0.3 eV, respectively. Beam profiles for ND 4 show this species to be metastable with a lifetime of about 1 μs. From this we estimate a potential barrier to dissociation in NH 4 (ND 4 ) between 0.36 and 0.48 eV, indicating this species should be stable at low temperatures. Comparison of these experimental results with theoretical calculations indicates areas of disagreement

Invasion by nonnative brook trout in Panther Creek, Idaho: Roles of habitat quality, connectivity, and biotic resistance

Science.gov (United States)

Joseph R. Benjamin

2006-01-01

Theoretical models suggest the invasion of nonnative freshwater species is facilitated through the interaction of three factors: biotic resistance, habitat quality, and connectivity. We measured variables that represented each component to determine which were associated with small (150 mm) brook trout occurrence in Panther Creek, a tributary...

High-accuracy energy formulas for the attractive two-site Bose-Hubbard model

Science.gov (United States)

Ermakov, Igor; Byrnes, Tim; Bogoliubov, Nikolay

2018-02-01

The attractive two-site Bose-Hubbard model is studied within the framework of the analytical solution obtained by the application of the quantum inverse scattering method. The structure of the ground and excited states is analyzed in terms of solutions of Bethe equations, and an approximate solution for the Bethe roots is given. This yields approximate formulas for the ground-state energy and for the first excited-state energy. The obtained formulas work with remarkable precision for a wide range of parameters of the model, and are confirmed numerically. An expansion of the Bethe state vectors into a Fock space is also provided for evaluation of expectation values, although this does not have accuracy similar to that of the energies.

Hubbard pair cluster in the external fields. Studies of the magnetic properties

Science.gov (United States)

Balcerzak, T.; Szałowski, K.

2018-06-01

The magnetic properties of the two-site Hubbard cluster (dimer or pair), embedded in the external electric and magnetic fields and treated as the open system, are studied by means of the exact diagonalization of the Hamiltonian. The formalism of the grand canonical ensemble is adopted. The phase diagrams, on-site magnetizations, spin-spin correlations, mean occupation numbers and hopping energy are investigated and illustrated in figures. An influence of temperature, mean electron concentration, Coulomb U parameter and external fields on the quantities of interest is presented and discussed. In particular, the anomalous behaviour of the magnetization and correlation function vs. temperature near the critical magnetic field is found. Also, the effect of magnetization switching by the external fields is demonstrated.

Biopesticide activity of sugarcane associated rhizobacteria: Ochrobactrum intermedium strain NH-5 and Stenotrophomonas maltophilia strain NH-300 against red rot under field conditions

Directory of Open Access Journals (Sweden)

Muhammad Nadeem HASSAN

2014-09-01

Full Text Available Colletotrichum falcatum is the major fungal pathogen causing sugarcane red rot. Four antagonistic bacterial strains exhibiting biocontrol activity against this pathogen in greenhouse conditions were characterized for production of different antifungal metabolites and biocontrol determinants to elucidate the mechanism of action involved in their antagonistic activity. The strains were also evaluated under field conditions to assess their biocontrol potential. All the strains produced hydrogen cyanide (HCN, and volatile and diffusible antibiotics. In addition, the Ochrobactrum intermedium strain NH-5 produced siderophores and the broad spectrum antibiotic 2, 4-diacetylphloroglucinol (2,4-DAPG; Pseudomonas sp. NH-203 produced siderophores, and Pseudomonas sp. NH-276 produced protease. Two strains, Ochrobactrum intermedium NH-5 and Stenotrophomonas maltophilia NH-300, exhibited good biocontrol activity, suppressing red rot by 44–52% on two sugarcane varieties, SPF-234 and Co-1148, in field experiments. The strains gave consistent results in three consecutive years and showed potential to be used as biopesticides.

Thin-Film Transformation of NH4 PbI3 to CH3 NH3 PbI3 Perovskite: A Methylamine-Induced Conversion-Healing Process.

Science.gov (United States)

Zong, Yingxia; Zhou, Yuanyuan; Ju, Minggang; Garces, Hector F; Krause, Amanda R; Ji, Fuxiang; Cui, Guanglei; Zeng, Xiao Cheng; Padture, Nitin P; Pang, Shuping

2016-11-14

Methylamine-induced thin-film transformation at room-temperature is discovered, where a porous, rough, polycrystalline NH 4 PbI 3 non-perovskite thin film converts stepwise into a dense, ultrasmooth, textured CH 3 NH 3 PbI 3 perovskite thin film. Owing to the beneficial phase/structural development of the thin film, its photovoltaic properties undergo dramatic enhancement during this NH 4 PbI 3 -to-CH 3 NH 3 PbI 3 transformation process. The chemical origins of this transformation are studied at various length scales. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

?????????? ?????, ?????????? ??????????? ?? ?????????? ?????????? ????? ? ?????? ???????? ZnCl2 +NH4Cl

OpenAIRE

Kuntyi, Orest; Zozulya, Galyna

2010-01-01

Zinc cementation by magnesium from ZnCl2 + NH4Cl aqueous solutions has been investigated. The amount of magnesium has been established as 0.8?2.0 g per 1 g of conditioned zinc to obtain recovery degree ? 99 %. At low concentrations of Zn2+ ions (0.025?0.1 M ZnCl2) dispersed deposit is formed with nanoparticles of reduced metal; at high concentrations (0.25?0.5 M) coarse-crystalline and fern-shaped deposit is formed. ?????????? ?????????? ????? ??????? ? ?????? ???????? ZnCl2 + NH4Cl. ????????...

Organic Compounds in Running Gutter Brook Water Used for Public Supply near Hatfield, Massachusetts, 2003-05

Science.gov (United States)

Brown, Craig J.; Trombley, Thomas J.

2009-01-01

The 258 organic compounds studied in this U.S. Geological Survey (USGS) assessment generally are man-made, including pesticides, solvents, gasoline hydrocarbons, personal-care and domestic-use products, and pavement and combustion-derived compounds. Of these 258 compounds, 26 (about 10 percent) were detected at least once among the 31 samples collected approximately monthly during 2003-05 at the intake of a flowthrough reservoir on Running Gutter Brook in Massachusetts, one of several community water systems on tributaries of the Connecticut River. About 81 percent of the watershed is forested, 14 percent is agricultural land, and 5 percent is urban land. In most source-water samples collected at Running Gutter Brook, fewer compounds were detected and their concentrations were low (less than 0.1 micrograms per liter) when compared with compounds detected at other stream sites across the country that drain watersheds that have a larger percentage of agricultural and urban areas. The relatively few compounds detected at low concentrations reflect the largely undeveloped land use at Running Gutter Brook. Despite the absence of wastewater discharge points on the stream, however, the compounds that were detected could indicate different sources and uses (point sources, precipitation, domestic, and agricultural) and different pathways to drinking-water supplies (overland runoff, groundwater discharge, leaking of treated water from distribution lines, and formation during treatment). Six of the 10 compounds detected most commonly (in at least 20 percent of the samples) in source water also were detected commonly in finished water (after treatment but prior to distribution). Concentrations in source and finished water generally were below 0.1 micrograms per liter and always less than humanhealth benchmarks, which are available for about one-half of the compounds detected. On the basis of this screening-level assessment, adverse effects to human health are expected to be

Absence of ballistic charge transport in the half-filled 1D Hubbard model

Science.gov (United States)

Carmelo, J. M. P.; Nemati, S.; Prosen, T.

2018-05-01

Whether in the thermodynamic limit of lattice length L → ∞, hole concentration mηz = - 2 Sηz/L = 1 -ne → 0, nonzero temperature T > 0, and U / t > 0 the charge stiffness of the 1D Hubbard model with first neighbor transfer integral t and on-site repulsion U is finite or vanishes and thus whether there is or there is no ballistic charge transport, respectively, remains an unsolved and controversial issue, as different approaches yield contradictory results. (Here Sηz = - (L -Ne) / 2 is the η-spin projection and ne =Ne / L the electronic density.) In this paper we provide an upper bound on the charge stiffness and show that (similarly as at zero temperature), for T > 0 and U / t > 0 it vanishes for mηz → 0 within the canonical ensemble in the thermodynamic limit L → ∞. Moreover, we show that at high temperature T → ∞ the charge stiffness vanishes as well within the grand-canonical ensemble for L → ∞ and chemical potential μ →μu where (μ -μu) ≥ 0 and 2μu is the Mott-Hubbard gap. The lack of charge ballistic transport indicates that charge transport at finite temperatures is dominated by a diffusive contribution. Our scheme uses a suitable exact representation of the electrons in terms of rotated electrons for which the numbers of singly occupied and doubly occupied lattice sites are good quantum numbers for U / t > 0. In contrast to often less controllable numerical studies, the use of such a representation reveals the carriers that couple to the charge probes and provides useful physical information on the microscopic processes behind the exotic charge transport properties of the 1D electronic correlated system under study.

Quantum critical behavior in three-dimensional one-band Hubbard model at half-filling

International Nuclear Information System (INIS)

Karchev, Naoum

2013-01-01

A one-band Hubbard model with hopping parameter t and Coulomb repulsion U is considered at half-filling. By means of the Schwinger bosons and slave fermions representation of the electron operators and integrating out the spin–singlet Fermi fields an effective Heisenberg model with antiferromagnetic exchange constant is obtained for vectors which identifies the local orientation of the spin of the itinerant electrons. The amplitude of the spin vectors is an effective spin of the itinerant electrons accounting for the fact that some sites, in the ground state, are doubly occupied or empty. Accounting adequately for the magnon–magnon interaction the Néel temperature is calculated. When the ratio t/U is small enough (t/U ≤0.09) the effective model describes a system of localized electrons. Increasing the ratio increases the density of doubly occupied states which in turn decreases the effective spin and Néel temperature. The phase diagram in the plane of temperature (T N )/U and parameter t/U is presented. The quantum critical point (T N =0) is reached at t/U =0.9. The magnons in the paramagnetic phase are studied and the contribution of the magnons’ fluctuations to the heat capacity is calculated. At the Néel temperature the heat capacity has a peak which is suppressed when the system approaches a quantum critical point. It is important to stress that, at half-filling, the ground state, determined by fermions, is antiferromagnetic. The magnon fluctuations drive the system to quantum criticality and when the effective spin is critically small these fluctuations suppress the magnetic order. -- Highlights: •Technique of calculation is introduced which permits us to study the magnons’ fluctuations. •Quantum critical point is obtained in the one-band 3D Hubbard model at half-filling. •The present analytical results supplement the numerical ones (see Fig. 7)

Herschel/HIFI deepens the circumstellar NH3 enigma

NARCIS (Netherlands)

Menten, K. M.; Wyrowski, F.; Alcolea, J.; De Beck, E.; Decin, L.; Marston, A. P.; Bujarrabal, V.; Cernicharo, J.; Dominik, C.; Justtanont, K.; de Koter, A.; Melnick, G.; Neufeld, D. A.; Olofsson, H.; Planesas, P.; Schmidt, M.; Schoier, F. L.; Szczerba, R.; Teyssier, D.; Waters, L. B. F. M.; Edwards, K.; Olberg, M.; Phillips, T. G.; Morris, P.; Salez, M.; Caux, E.

2010-01-01

Context. Circumstellar envelopes (CSEs) of a variety of evolved stars have been found to contain ammonia (NH3) in amounts that exceed predictions from conventional chemical models by many orders of magnitude. Aims. The observations reported here were performed in order to better constrain the NH3

Fermi hyper-netted chain theory on a lattice: The Hubbard model

International Nuclear Information System (INIS)

Wang, X.Q.; Wang, X.Q.G.; Fantoni, S.; Tosatti, E.; Yu Lu.

1990-02-01

We review a new lattice version of Fermi Hyper-Netted Chain method for the study of strongly interacting electrons. The ordinary paramagnetic and the spin density wave functions have been correlated with Jastrow-type and e-d correlations, and the corresponding FHNC equations for the pair distribution function, the one body density matrix and the staggered magnetization are discussed. Results for the 1D chain and 2D square lattice models are presented and compared with the available results obtained within Quantum Monte Carlo, variational Monte Carlo and exact diagonalization of a 4x4 Hubbard cluster. Particularly interesting are the strong effects of e-d correlations on E/Nt and on the momentum distribution as well as antiferromagnetic behavior away from half filling found in our FHNC calculations in agreement with other studies. (author). 35 refs, 8 figs, 2 tabs

Effects of atmospheric ammonia (NH3) on terrestrial vegetation: a review

International Nuclear Information System (INIS)

Krupa, S.V.

2003-01-01

A review of atmospheric ammonia (NH 3 ) and ammonium (NH 4 + ) deposition and their effects on plants. - At the global scale, among all N (nitrogen) species in the atmosphere and their deposition on to terrestrial vegetation and other receptors, NH 3 (ammonia) is considered to be the foremost. The major sources for atmospheric NH 3 are agricultural activities and animal feedlot operations, followed by biomass burning (including forest fires) and to a lesser extent fossil fuel combustion. Close to its sources, acute exposures to NH 3 can result in visible foliar injury on vegetation. NH 3 is deposited rapidly within the first 4-5 km from its source. However, NH 3 is also converted in the atmosphere to fine particle NH 4 + (ammonium) aerosols that are a regional scale problem. Much of our current knowledge of the effects of NH 3 on higher plants is predominantly derived from studies conducted in Europe. Adverse effects on vegetation occur when the rate of foliar uptake of NH 3 is greater than the rate and capacity for in vivo detoxification by the plants. Most to least sensitive plant species to NH 3 are native vegetation > forests > agricultural crops. There are also a number of studies on N deposition and lichens, mosses and green algae. Direct cause and effect relationships in most of those cases (exceptions being those locations very close to point sources) are confounded by other environmental factors, particularly changes in the ambient SO 2 (sulfur dioxide) concentrations. In addition to direct foliar injury, adverse effects of NH 3 on higher plants include alterations in: growth and productivity, tissue content of nutrients and toxic elements, drought and frost tolerance, responses to insect pests and disease causing microorganisms (pathogens), development of beneficial root symbiotic or mycorrhizal associations and inter species competition or biodiversity. In all these cases, the joint effects of NH 3 with other air pollutants such as all-pervasive O 3 or

Antiferromagnetic order in the Hubbard model on the Penrose lattice

Science.gov (United States)

Koga, Akihisa; Tsunetsugu, Hirokazu

2017-12-01

We study an antiferromagnetic order in the ground state of the half-filled Hubbard model on the Penrose lattice and investigate the effects of quasiperiodic lattice structure. In the limit of infinitesimal Coulomb repulsion U →+0 , the staggered magnetizations persist to be finite, and their values are determined by confined states, which are strictly localized with thermodynamics degeneracy. The magnetizations exhibit an exotic spatial pattern, and have the same sign in each of cluster regions, the size of which ranges from 31 sites to infinity. With increasing U , they continuously evolve to those of the corresponding spin model in the U =∞ limit. In both limits of U , local magnetizations exhibit a fairly intricate spatial pattern that reflects the quasiperiodic structure, but the pattern differs between the two limits. We have analyzed this pattern change by a mode analysis by the singular value decomposition method for the fractal-like magnetization pattern projected into the perpendicular space.

Symmetry-projected variational approach to the one-dimensional Hubbard model

International Nuclear Information System (INIS)

Schmid, K.W.; Dahm, T.; Margueron, J.; Muether, H.

2005-01-01

We apply a variational method devised for the nuclear many-body problem to the one-dimensional Hubbard model with nearest neighbor hopping and periodic boundary conditions. The test wave function consist for each state out of a single Hartree-Fock determinant mixing all the sites (or momenta) as well as the spin projections of the electrons. Total spin and linear momentum are restored by projection methods before the variation. It is demonstrated that this approach reproduces the results of exact diagonalizations for half-filled N=12 and N=14 lattices not only for the energies and occupation numbers of the ground but also of the lowest excited states rather well. Furthermore, a system of ten electrons in an N=12 lattice is investigated and, finally, an N=30 lattice is studied. In addition to energies and occupation numbers we present the spectral functions computed with the help of the symmetry-projected wave functions as well

Interaction quantum quenches in the one-dimensional Fermi-Hubbard model

Science.gov (United States)

Heidrich-Meisner, Fabian; Bauer, Andreas; Dorfner, Florian; Riegger, Luis; Orso, Giuliano

2016-05-01

We discuss the nonequilibrium dynamics in two interaction quantum quenches in the one-dimensional Fermi-Hubbard model. First, we study the decay of the Néel state as a function of interaction strength. We observe a fast charge dynamics over which double occupancies are built up, while the long-time decay of the staggered moment is controlled by spin excitations, corroborated by the analysis of the entanglement dynamics. Second, we investigate the formation of Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) correlations in a spin-imbalanced system in quenches from the noninteracting case to attractive interactions. Even though the quench puts the system at a finite energy density, peaks at the characteristic FFLO quasimomenta are visible in the quasi-momentum distribution function, albeit with an exponential decay of s-wave pairing correlations. We also discuss the imprinting of FFLO correlations onto repulsively bound pairs and their rapid decay in ramps. Supported by the DFG (Deutsche Forschungsgemeinschaft) via FOR 1807.

Treatment for GaSb surfaces using a sulphur blended (NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4} solution

Energy Technology Data Exchange (ETDEWEB)

Murape, D.M., E-mail: Davison.Murape@nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Eassa, N.; Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Betz, R. [Department of Chemistry, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Coetsee, E.; Swart, H.C. [Department of Physics, University of the Free State, PO Box 339, Bloemfontein, 9300 (South Africa); Botha, J.R.; Venter, A. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa)

2012-07-01

A sulphur based chemical, [(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] to which S has been added, not previously reported for the treatment of (1 0 0) n-GaSb surfaces, is introduced and benchmarked against the commonly used passivants Na{sub 2}S{center_dot}9H{sub 2}O and (NH{sub 4}){sub 2}S. The surfaces of the treated material were studied by scanning electron microscopy (SEM), Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). It has been found that the native oxides present on the GaSb surface are more effectively removed when treated with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] + S) than with (NH{sub 4}){sub 2}S or Na{sub 2}S{center_dot}9H{sub 2}O, as evidenced by the ratio of the O{sub 506eV} to Sb{sub 457eV} AES peaks. XPS results reveal that Sb{sub 2}S{sub 3}/Sb{sub 2}S{sub 5} 'replaces' Sb{sub 2}O{sub 3}/Sb{sub 2}O{sub 5}, suggesting that sulphur atoms substitute oxygen atoms in Sb{sub 2}O{sub 3}/Sb{sub 2}O{sub 5} to form Sb-S. It seems sulphurization only partially removes Ga{sub 2}O{sub 3}. Treatment with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] + S) also results in a noteworthy improvement in the current-voltage (I-V) characteristics of Au/n-GaSb Schottky contacts compared to those fabricated on as-received material.

Facile one-pot synthesis of Ni2+-doped (NH4)2V3O8 nanoflakes@Ni foam with visible-light-driven photovoltaic behavior for supercapacitor application

Science.gov (United States)

Zhou, Qingfeng; Gong, Yun; Lin, Jianhua

2018-05-01

In the present work, Ni2+-doped (NH4)2V3O8 nanoflakes are in situ grown on Ni foam through a facile one-pot hydrothermal technique in a NH4VO3 aqueous solution. The Ni2+-doped (NH4)2V3O8@Ni foam composite material can be used as binder- and conductivity agent-free electrode in supercapacitor, it manifests a large specific capacitance of 465.5 F g-1 at a current density of 0.2 A g-1 and a superior rate capability of 317.5 F g-1 at 10 A g-1, which is beneficial from its three-dimensional porous architecture cross-linked by the ultrathin Ni2+-doped (NH4)2V3O8 nanoflakes on Ni foam. Meanwhile, the Ni2+-doped (NH4)2V3O8@Ni foam//Activated carbon asymmetric supercapacitor can deliver a maximum energy density of 20.1 W h kg-1 at a power density of 752.0 W kg-1. Significantly, the Ni2+-doped (NH4)2V3O8@Ni foam electrode possesses reversible electrochromic behavior, and it shows obvious visible light-driven photoresponse with much higher specific capacitance (645.3 F g-1 at 0.5 A g-1) under illumination (650 nm > λ > 350 nm, 100 mW cm-2), which is probably associated with the semiconducting characteristics of the spin-polarized (NH4)2V3O8 and the quantum confinement effect of the nanoflakes.

Levels-of-growing-stock cooperative study in Douglas-fir: report no. 18--Rocky Brook, 1963-2006.

Science.gov (United States)

Robert O. Curtis; David D. Marshall

2009-01-01

This report documents the history and results of the Rocky Brook installation of the cooperative levels-of-growing-stock (LOGS) study in Douglas-fir (Pseudotsuga menziesii (Mirb.) Franco), over the 41-year period 1965 to 2006. This 1938 plantation is one of the two site-IV installations among the nine installations in the study. Much public...

Ice processes affect habitat use and movements of adult cutthroat trout and brook trout in a Wyoming foothills stream

Science.gov (United States)

Lindstrom, J.W.; Hubert, W.A.

2004-01-01

Habitat use and movements of 25 adult cutthroat trout Oncorhynchus clarkii and 25 adult brook trout Salvelinus fontinalis from fall through winter 2002-2003 were assessed by means of radiotelemetry in a 7-km reach of a Rocky Mountains foothills stream. Temporal dynamics of winter habitat conditions were evaluated by regularly measuring the features of 30 pools and 5 beaver Castor canadensis ponds in the study reach. Groundwater inputs at three locations raised mean daily water temperatures in the stream channel during winter to 0.2-0.6??C and kept at least 250 m of the downstream channel free of ice, but the lack of surface ice further downstream led to the occurrence of frazil ice and anchor ice in pools and unstable habitat conditions for trout. Pools in segments that were not affected by groundwater inputs and beaver ponds tended to be stable and snow accumulated on the surface ice. Pools throughout the study reach tended to become more stable as snow accumulated. Both cutthroat trout and brook trout selected beaver ponds as winter progressed but tended to use lateral scour pools in proportion to their availability. Tagged fish not in beaver ponds selected lateral scour pools that were deeper than average and stable during winter. Movement frequencies by tagged fish decreased from fall through winter, but some individuals of both species moved during winter. Ice processes affected both the habitat use and movement patterns of cutthroat trout and brook trout in this foothills stream.

Dissociation of NH3 and NH2D by high power CO2 laser radiation

International Nuclear Information System (INIS)

Jacobs, R.R.

1976-08-01

Multiquantum dissociation of polyatomics using intense CO 2 lasers resulting in isotopic enrichment has been demonstrated for several molecules. In this presentation, the possibility of selective dissociation of NH 3 and NH 2 D by high power laser radiation at 10 μm will be considered. Relevant work performed at the Lawrence Livermore Laboratory and elsewhere will be summarized. In this review, attention will be given to four distinct mechanisms that can play varying degrees of importance in such investigations. Discussion will deal with the usefulness of two-resonant-frequency molecular excitation, the role of buffer gases, and the need to monitor the yields into the ground and excited electronic states of the dissociated fragments

What Do Facts Have to Do with It? Exploring Instructional Emphasis in Stony Brook News Literacy Curriculum

Science.gov (United States)

Fleming, Jennifer

2015-01-01

An analytic matrix comprised of multiple media literacy teaching and learning principles is conceptualized to examine a model of news literacy developed by journalism educators at Stony Brook University. The multidimensional analysis indicates that news literacy instructors focus on teaching students how to question and assess the veracity of news…

Heterolytic cleavage of ammonia N-H bond by bifunctional activation in silica-grafted single site Ta(V) imido amido surface complex. Importance of the outer sphere NH3 assistance

KAUST Repository

Gouré, Eric

2011-01-01

Ammonia N-H bond is cleaved at room temperature by the silica-supported tantalum imido amido complex [(≡SiO)2Ta(NH)(-NH2)], 2, if excess ammonia is present, but requires 150 °C to achieve the same reaction if only one equivalent NH3 is added to 2. MAS solid-state 15N NMR and in situ IR spectroscopic studies of the reaction of either 15N or 2H labeled ammonia with 2 show that initial coordination of the ammonia is followed by scrambling of either 15N or 2H among ammonia, amido and imido groups. Density functional theory (DFT) calculations with a cluster model [{(μ-O)[(H3SiO) 2SiO]2}Ta(NH)(-NH2)(NH3)], 2 q·NH3, show that the intramolecular H transfer from Ta-NH2 to TaNH is ruled out, but the H transfers from the coordinated ammonia to the amido and imido groups have accessible energy barriers. The energy barrier for the ammonia N-H activation by the Ta-amido group is energetically preferred relative to the Ta-imido group. The importance of excess NH3 for getting full isotope scrambling is rationalized by an outer sphere assistance of ammonia acting as proton transfer agent, which equalizes the energy barriers for H transfer from coordinated ammonia to the amido and imido groups. In contrast, additional coordinated ammonia does not favor significantly the H transfer. These results rationalize the experimental conditions used. © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2011.

Co-precipitation in aqueous medium of La{sub 0.8}Sr{sub 0.2}Ga{sub 0.8}Mg{sub 0.2}O{sub 3-{delta}} via inorganic precursors

Energy Technology Data Exchange (ETDEWEB)

Pelosato, Renato; Cristiani, Cinzia; Dotelli, Giovanni; Latorrata, Saverio; Zampori, Luca [CMIC - Dipartimento di Chimica, Materiali e Ingegneria Chimica ' ' G. Natta' ' , Politecnico di Milano, P.zza Leonardo da Vinci 32, 20133 Milano (Italy); Ruffo, Riccardo [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy)

2010-12-15

A simple and inexpensive co-precipitation route in aqueous medium is proposed to prepare La{sub 0.8}Sr{sub 0.2}Ga{sub 0.8}Mg{sub 02}O{sub 3-{delta}} ionic conductor (LSGM). Different synthetic procedures and operating parameters (i.e. nature and amount of the precipitating agents, HNO{sub 3} addition and temperature) have been evaluated in order to underline their influence on the composition and microstructure of the final phase. Intermediate and final products were characterized by Thermal-Gravimetry, IR-spectroscopy, X-ray Powder Diffraction, Rietveld analysis and Scanning Electron Microscopy. The electrical properties were measured by Impedance Spectroscopy in the temperature range 250-800 C. Slight variations of the synthetic procedure (such as precipitating agent amount or no HNO{sub 3} addition) have a considerable and detrimental effect on the ions losses and the subsequent achievement of the final phase. The use NH{sub 4}OH as an alternative precipitating agent is dramatically disadvantageous. Ions losses during precipitation must be controlled (i) to avoid understoichiometry in the LSGM phase and (ii) to prevent the formation of large amounts of secondary phases. In fact, both affect the total electrical conductivity. The use of large excess of (NH{sub 4}){sub 2}CO{sub 3} precipitating agent and the addition of HNO{sub 3} lead to the best material characterized by a rhombohedral structure, small amount of side phases, a relative density of 98% and a total conductivity of 6.44 x 10{sup -2} S cm{sup -1} at 800 C and 1.13 x 10{sup -2} S cm{sup -1} at 600 C. (author)

Two-particle correlations in the one-dimensional Hubbard model: a ground-state analytical solution

CERN Document Server

Vallejo, E; Espinosa, J E

2003-01-01

A solution to the extended Hubbard Hamiltonian for the case of two-particles in an infinite one-dimensional lattice is presented, using a real-space mapping method and the Green function technique. This Hamiltonian considers the on-site (U) and the nearest-neighbor (V) interactions. The method is based on mapping the correlated many-body problem onto an equivalent site-impurity tight-binding one in a higher dimensional space. In this new space we obtained the analytical solution for the ground state binding energy. Results are in agreement with the numerical solution obtained previously [1], and with those obtained in the reciprocal space [2]. (Author)

Hypergeometric continuation of divergent perturbation series: I. Critical exponents of the Bose–Hubbard model

International Nuclear Information System (INIS)

Sanders, Sören; Holthaus, Martin

2017-01-01

We study the connection between the exponent of the order parameter of the Mott insulator-to-superfluid transition occurring in the two-dimensional Bose–Hubbard model, and the divergence exponents of its one- and two-particle correlation functions. We find that at the multicritical points all divergence exponents are related to each other, allowing us to express the critical exponent in terms of one single divergence exponent. This approach correctly reproduces the critical exponent of the three-dimensional XY universality class. Because divergence exponents can be computed in an efficient manner by hypergeometric analytic continuation, our strategy is applicable to a wide class of systems. (paper)

Hypergeometric continuation of divergent perturbation series: I. Critical exponents of the Bose-Hubbard model

Science.gov (United States)

Sanders, Sören; Holthaus, Martin

2017-10-01

We study the connection between the exponent of the order parameter of the Mott insulator-to-superfluid transition occurring in the two-dimensional Bose-Hubbard model, and the divergence exponents of its one- and two-particle correlation functions. We find that at the multicritical points all divergence exponents are related to each other, allowing us to express the critical exponent in terms of one single divergence exponent. This approach correctly reproduces the critical exponent of the three-dimensional XY universality class. Because divergence exponents can be computed in an efficient manner by hypergeometric analytic continuation, our strategy is applicable to a wide class of systems.

77 FR 37707 - Draft Environmental Impact Statement on Brooks River Visitor Access for Katmai National Park and...

Science.gov (United States)

2012-06-22

... four action alternatives that include bridge and boardwalk systems to replace the existing Brooks River floating bridge and sites to relocate the existing Naknek Lake barge landing area at the mouth of the... maintain seasonal use of the floating bridge, which is 8 feet wide and about 320 feet long. The bridge...

Diagram analysis of the Hubbard model: Stationarity property of the thermodynamic potential

International Nuclear Information System (INIS)

Moskalenko, V. A.; Dohotaru, L. A.; Cebotari, I. D.

2010-01-01

The diagram approach proposed many years ago for the strongly correlated Hubbard model is developed with the aim to analyze the thermodynamic potential properties. A new exact relation between renormalized quantities such as the thermodynamic potential, the one-particle propagator, and the correlation function is established. This relation contains an additional integration of the one-particle propagator with respect to an auxiliary constant. The vacuum skeleton diagrams constructed from the irreducible Green's functions and tunneling propagator lines are determined and a special functional is introduced. The properties of this functional are investigated and its relation to the thermodynamic potential is established. The stationarity property of this functional with respect to first-order variations of the correlation function is demonstrated; as a consequence, the stationarity property of the thermodynamic potential is proved.

Final-Independent Confirmatory Survey Report For The Reactor Building, Hot Laboratory, Primary Pump House, And Land Areas At The Plum Brook Reactor Facility, Sandusky, Ohio DCN:2036-SR-01-10

International Nuclear Information System (INIS)

Bailey, Erika N.

2011-01-01

In 1941, the War Department acquired approximately 9,000 acres of land near Sandusky, Ohio and constructed a munitions plant. The Plum Brook Ordnance Works Plant produced munitions, such as TNT, until the end of World War II. Following the war, the land remained idle until the National Advisory Committee for Aeronautics later called the National Aeronautics and Space Administration (NASA) obtained 500 acres to construct a nuclear research reactor designed to study the effects of radiation on materials used in space flight. The research reactor was put into operation in 1961 and was the first of fifteen test facilities eventually built by NASA at the Plum Brook Station. By 1963, NASA had acquired the remaining land at Plum Brook for these additional test facilities

Changes in seasonal climate outpace compensatory density-dependence in eastern brook trout

Science.gov (United States)

Bassar, Ronald D.; Letcher, Benjamin H.; Nislow, Keith H.; Whiteley, Andrew R.

2016-01-01

Understanding how multiple extrinsic (density-independent) factors and intrinsic (density-dependent) mechanisms influence population dynamics has become increasingly urgent in the face of rapidly changing climates. It is particularly unclear how multiple extrinsic factors with contrasting effects among seasons are related to declines in population numbers and changes in mean body size and whether there is a strong role for density-dependence. The primary goal of this study was to identify the roles of seasonal variation in climate driven environmental direct effects (mean stream flow and temperature) versus density-dependence on population size and mean body size in eastern brook trout (Salvelinus fontinalis). We use data from a 10-year capture-mark-recapture study of eastern brook trout in four streams in Western Massachusetts, USA to parameterize a discrete-time population projection model. The model integrates matrix modeling techniques used to characterize discrete population structures (age, habitat type and season) with integral projection models (IPMs) that characterize demographic rates as continuous functions of organismal traits (in this case body size). Using both stochastic and deterministic analyses we show that decreases in population size are due to changes in stream flow and temperature and that these changes are larger than what can be compensated for through density-dependent responses. We also show that the declines are due mostly to increasing mean stream temperatures decreasing the survival of the youngest age class. In contrast, increases in mean body size over the same period are the result of indirect changes in density with a lesser direct role of climate-driven environmental change.

Selfenergy effect on the magnetic ordering transition in the mono- and bilayer honeycomb Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Honerkamp, Carsten [Institute for Theoretical Solid State Physics, RWTH Aachen University (Germany); JARA - Fundamentals of Future Information Technology, Aachen (Germany)

2017-11-15

We investigate the impact of electron self-energy corrections on potential antiferromagnetic ordering instabilities in mono- and bilayer graphene, modeled by a Hubbard-type lattice model with onsite interactions among the electrons, using a self-consistent random phase approximation (RPA). In qualitative agreement with earlier studies we find that the electronic interactions cause non-Fermi liquid behavior at low energies. In self-consistent RPA, the transition scales for antiferromagnetic ordering are renormalized significantly by these self-energy effects, both for interaction-driven and temperature-driven cases. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Effects of atmospheric ammonia (NH3) on terrestrial vegetation: a review.

Science.gov (United States)

Krupa, S V

2003-01-01

At the global scale, among all N (nitrogen) species in the atmosphere and their deposition on to terrestrial vegetation and other receptors, NH3 (ammonia) is considered to be the foremost. The major sources for atmospheric NH3 are agricultural activities and animal feedlot operations, followed by biomass burning (including forest fires) and to a lesser extent fossil fuel combustion. Close to its sources, acute exposures to NH3 can result in visible foliar injury on vegetation. NH3 is deposited rapidly within the first 4-5 km from its source. However, NH3 is also converted in the atmosphere to fine particle NH4+ (ammonium) aerosols that are a regional scale problem. Much of our current knowledge of the effects of NH3 on higher plants is predominantly derived from studies conducted in Europe. Adverse effects on vegetation occur when the rate of foliar uptake of NH3 is greater than the rate and capacity for in vivo detoxification by the plants. Most to least sensitive plant species to NH3 are native vegetation > forests > agricultural crops. There are also a number of studies on N deposition and lichens, mosses and green algae. Direct cause and effect relationships in most of those cases (exceptions being those locations very close to point sources) are confounded by other environmental factors, particularly changes in the ambient SO2 (sulfur dioxide) concentrations. In addition to direct foliar injury, adverse effects of NH3 on higher plants include alterations in: growth and productivity, tissue content of nutrients and toxic elements, drought and frost tolerance, responses to insect pests and disease causing microorganisms (pathogens), development of beneficial root symbiotic or mycorrhizal associations and inter species competition or biodiversity. In all these cases, the joint effects of NH3 with other air pollutants such as all-pervasive O3 or increasing CO2 concentrations are poorly understood. While NH3 uptake in higher plants occurs through the shoots, NH4

A Low Temperature Infrared Study Of Deuterated NH4VO3

Science.gov (United States)

de Waal, D.; Heyns, A. M.

1989-12-01

The existence of (NH4)2V6016 as an intermediate in the thermal decomposition of NH4V03 to V205 has been confirmed by vibrational spectroscopy, resulting in the following reaction in an open systeml: NH4VO3 1 bar, air, 50-200°C/(1) (NH4)2v6o16 1 bar, air, ca.360°C/(2) V205 The kinetics of reaction (1) was studied by means of Raman spectroscopy, and structural information on NH4V03 and (N114)V60 16 was required to obtain an accurate description of the reaction mechanism2. Information on the site symmetry of an ammonium ion and hydrogen bonding in a crystal can be obtained by considering the infrared spectra of isotopically dilute NH3D+ ions in the lattice at liquid nitrogen temperatures3, especially as the position of hydrogen atoms in (NHO2V6016 could not be determined by X-ray methods.

Application procedures and analysis examples of the SIE ASME-NH program

International Nuclear Information System (INIS)

Kim, Seok Hoon; Koo, G. H.; Kim, J. B.

2010-12-01

In this report, the design rule of the ASME-NH Code was briefly summarized and the application procedures of SIE ASME-NH program were analysed, the analysis examples were described. The SIE ASME-NH program was developed according to the ASME Code Section III Subsection NH rules to perform the primary stress limits, the accumulated inelastic strain limits and the creep fatigue damage evaluations in the structural design of nuclear power plants operating with high temperatures over creep temperature at normal operating conditions. In the analysis examples, the benchmark problem for the high temperature reactor vessel which was discussed in the SIE ASME-NH user's seminar was described. Also, the preliminary structural analysis of an Advanced Burner Test Reactor internal structure was described. Considering the load combinations of the various cycle types submitted from significant operating conditions, the integrity of a reactor internal structure was reviewed according to the stress and strain limits of the ASME-NH rules and the analysis and evaluation results were summarized

Ranking site vulnerability to increasing temperatures in southern Appalachian brook trout streams in Virginia: An exposure-sensitivity approach

Science.gov (United States)

Bradly A. Trumbo; Keith H. Nislow; Jonathan Stallings; Mark Hudy; Eric P. Smith; Dong-Yun Kim; Bruce Wiggins; Charles A. Dolloff

2014-01-01

Models based on simple air temperature–water temperature relationships have been useful in highlighting potential threats to coldwater-dependent species such as Brook Trout Salvelinus fontinalis by predicting major losses of habitat and substantial reductions in geographic distribution. However, spatial variability in the relationship between changes...

Technical Note: Reliability of Suchey-Brooks and Buckberry-Chamberlain methods on 3D visualizations from CT and laser scans

DEFF Research Database (Denmark)

Villa, Chiara; Buckberry, Jo; Cattaneo, Cristina

2013-01-01

Previous studies have reported that the ageing method of Suchey-Brooks (pubic bone) and some of the features applied by Lovejoy et al. and Buckberry-Chamberlain (auricular surface) can be confidently performed on 3D visualizations from CT-scans. In this study, seven observers applied the Suchey......-Brooks and the Buckberry-Chamberlain methods on 3D visualizations based on CT-scans and, for the first time, on 3D visualizations from laser scans. We examined how the bone features can be evaluated on 3D visualizations and whether the different modalities (direct observations of bones, 3D visualization from CT......-observer agreement was obtained in the evaluation of the pubic bone in all modalities. In 3D visualizations of the auricular surfaces, transverse organization and apical changes could be evaluated, although with high inter-observer variability; micro-, macroporosity and surface texture were very difficult to score...

CO2 Absorption and Magnesium Carbonate Precipitation in MgCl2–NH3–NH4Cl Solutions: Implications for Carbon Capture and Storage

Directory of Open Access Journals (Sweden)

Chen Zhu

2017-09-01

Full Text Available CO2 absorption and carbonate precipitation are the two core processes controlling the reaction rate and path of CO2 mineral sequestration. Whereas previous studies have focused on testing reactive crystallization and precipitation kinetics, much less attention has been paid to absorption, the key process determining the removal efficiency of CO2. In this study, adopting a novel wetted wall column reactor, we systematically explore the rates and mechanisms of carbon transformation from CO2 gas to carbonates in MgCl2–NH3–NH4Cl solutions. We find that reactive diffusion in liquid film of the wetted wall column is the rate-limiting step of CO2 absorption when proceeding chiefly through interactions between CO2(aq and NH3(aq. We further quantified the reaction kinetic constant of the CO2–NH3 reaction. Our results indicate that higher initial concentration of NH4Cl ( ≥ 2 mol · L − 1 leads to the precipitation of roguinite [ ( NH 4 2 Mg ( CO 3 2 · 4 H 2 O ], while nesquehonite appears to be the dominant Mg-carbonate without NH4Cl addition. We also noticed dypingite formation via phase transformation in hot water. This study provides new insight into the reaction kinetics of CO2 mineral carbonation that indicates the potential of this technique for future application to industrial-scale CO2 sequestration.

An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH3

Science.gov (United States)

Huang, Xinchuan; Schwenke, David W.; Lee, Timothy J.

2008-12-01

A global potential energy surface (PES) that includes short and long range terms has been determined for the NH3 molecule. The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations and the internally contracted averaged coupled-pair functional electronic structure methods have been used in conjunction with very large correlation-consistent basis sets, including diffuse functions. Extrapolation to the one-particle basis set limit was performed and core correlation and scalar relativistic contributions were included directly, while the diagonal Born-Oppenheimer correction was added. Our best purely ab initio PES, denoted "mixed," is constructed from two PESs which differ in whether the ic-ACPF higher-order correlation correction was added or not. Rovibrational transition energies computed from the mixed PES agree well with experiment and the best previous theoretical studies, but most importantly the quality does not deteriorate even up to 10300cm-1 above the zero-point energy (ZPE). The mixed PES was improved further by empirical refinement using the most reliable J =0-2 rovibrational transitions in the HITRAN 2004 database. Agreement between high-resolution experiment and rovibrational transition energies computed from our refined PES for J =0-6 is excellent. Indeed, the root mean square (rms) error for 13 HITRAN 2004 bands for J =0-2 is 0.023cm-1 and that for each band is always ⩽0.06cm-1. For J =3-5 the rms error is always ⩽0.15cm-1. This agreement means that transition energies computed with our refined PES should be useful in the assignment of new high-resolution NH3 spectra and in correcting mistakes in previous assignments. Ideas for further improvements to our refined PES and for extension to other isotopolog are discussed.

THE KINETICS OF NH(4)+ AND NO3(-) UPTAKE BY DOUGLAS-FIR FROM SINGLE N-SOLUTIONS AND FROM SOLUTIONS CONTAINING BOTH NH(4)+ AND NO3(-)

NARCIS (Netherlands)

KAMMINGAVANWIJK, C; PRINS, HBA

The kinetics of NH4+ and NO3- uptake in young Douglas fir trees (Pseudotsuga menziesii [Mirb.] Franco) were studied in solutions, containing either one or both N species. Using solutions containing a single N species, the V(max) of NH4+ uptake was higher than that of NO3- uptake. The K(m) of NH4+

Atmospheric NH3 as plant nutrient: A case study with Brassica oleracea

International Nuclear Information System (INIS)

Castro, Ana; Stulen, Ineke; De Kok, Luit J.

2008-01-01

Nutrient-sufficient and nitrate- or sulfate-deprived plants of Brassica oleracea L. were exposed to 4 μl l -1 NH 3 (2.8 mg m -3 ), and effects on biomass production and allocation, N-compounds and root morphology investigated. Nitrate-deprived plants were able to transfer to atmospheric NH 3 as nitrogen source, but biomass allocation in favor of the root was not changed by exposure to NH 3 . NH 3 reduced the difference in total root length between nitrate-sufficient and nitrate-deprived plants, and increased the specific root length in the latter. The internal N status, therefore, might be involved in controlling root length in B. oleracea. Root surface area, volume and diameter were unaffected by both nitrate deprivation and NH 3 exposure. In sulfate-deprived plants an inhibitory effect of NH 3 on root morphological parameters was observed. These plants, therefore, might be more susceptible to atmospheric NH 3 than nitrate-deprived plants. The relevance of the present data under field conditions is discussed. - Atmospheric NH 3 can serve as sole N source for Brassica oleracea, but does not change root biomass allocation in nitrate-deprived plants

13N-NH3 PET in the diagnosis of astrocytomas: preliminary result

International Nuclear Information System (INIS)

Zhang Xiangsong; He Zuoxiang; Tang Anwu

2004-01-01

Objective: To evaluate the feasibility of diagnosing the astrocytoma with 13N-NH3 PET imaging. Methods 13N-NH3 and 18F-fluorodeoxyglucose (FDG) PET imaging were performed in seven cases of astrocytomas including 3 anteoperative astrocytomas, 2 recurrent astrocytomas, 2 brain injury or necrosis after the operation and radiotherapy. The radioactivity ratios of the tumor and normal white matter (T/WM) were calculated. Results: The tumor lesions in 3 anteoperative astrocytomas and 2 recurrent astrocytomas all uptake 13N-NH3. The average T/WM on 13N-NH3 images was 1.82±0.21, and T/WM on 13N-NH3 and 18F-FDG images were 1.98 and 0.97 for one case with grade 1 astrocytoma. 13N-NH3 and 18F-FDG PET imaging both showed decreased uptake in 2 brain injury or necrosis after the operation and radiotherapy of astrocytomas. Conclusions: 13N-NH3 was uptaken in astrocytomas. 13N-NH3 can be useful in the diagnosis of astrocytoma, and potentially improve diagnostic accuracy of astrocytoma, especially in low-grade astrocytoma. (authors)

13N-NH3 PET in the diagnosis of astrocytomas: preliminary result

International Nuclear Information System (INIS)

Zhang Xiangsong; He Zuoxiang; Tang Anwu

2004-01-01

Objective: To evaluate the feasibility of diagnosing the astrocytoma with 13N-NH3 PET imaging. Methods: 13N-NH3 and 18F-fluorodeoxyglucose (FDG) PET imaging were performed in seven cases of astrocytomas including 3 anteoperative astrocytomas, 2 recurrent astrocytomas, 2 brain injury or necrosis after the operation and radiotherapy. The radioactivity ratios of the tumor and normal white matter (T/WM) were calculated. Results: The tumor lesions in 3 anteoperative astrocytomas and 2 recurrent astrocytomas all uptake 13N-NH3 .The average T/WM on 13N-NH3 images was 1.82±0.21, and T/WM on 13N-NH3 and 18F-FDG images were 1.98 and 0.97 for one case with grade 1 astrocytoma. 13N-NH3 and 18F-FDG PET imaging both showed decreased uptake in 2 brain injury or necrosis after the operation and radiotherapy of astrocytomas. Conclusions: 13N-NH3 was uptaken in astrocytomas. 13N-NH3 can be useful in the diagnosis of astrocytoma, and potentially improve diagnostic accuracy of astrocytoma, especially in low-grade astrocytoma. (authors)

Fish Health Study Ashtabula River Natural Resource Damage Assessment

Science.gov (United States)

Blazer, V.S.; Iwanowicz, L.R.; Baumann, P.C.

2006-01-01

INTRODUCTION The Ashtabula River is located in northeast Ohio, flowing into Lake Erie at Ashtabula, Ohio. Tributaries include Fields Brook, Hubbard Run, Strong Brook, and Ashtabula Creek. The bottom sediments, bank soils and biota of Fields Brook have been severely contaminated by unregulated discharges of hazardous substances. Hazardous substances have migrated downstream from Fields Brook to the Ashtabula River and Harbor, contaminating bottom sediments, fish and wildlife. There are presently more than 1,000,000 cubic yards of contaminated sediment in the Ashtabula River and Harbor, much of which originated from Fields Brook. Contaminants include polychlorinated biphenyls (PCBs), chlorinated benzenes, chlorinated ethenes, hexachlorobutadiene, polyaromatic hydrocarbons (PAHs), other organic chemicals, heavy metals and low level radionuclides. A Preassessment Screen, using existing data, was completed for the Ashtabula River and Harbor on May 18, 2001. Among the findings was that the fish community at Ashtabula contained approximately 45 percent fewer species and 52 percent fewer individuals than the Ohio EPA designated reference area, Conneaut Creek. The Ashtabula River and Conneaut Creek are similar in many respects, with the exception of the presence of contamination at Ashtabula. The difference in the fish communities between the two sites is believed to be at least partially a result of the hazardous substance contamination at Ashtabula. In order to investigate this matter further, the Trustees elected to conduct a study of the status and health of the aquatic biological communities of the Ashtabula River and Conneaut Creek in 2002-2004. The following document contains brief method descriptions (more detail available in attached Appendix A) and a summary of the data used to evaluate the health status of brown bullheads (Ameiurus nebulosus) and largemouth bass (Micropterus salmoides) collected from the above sites.

Dehydriding reaction of Mg(NH2)2-LiH system under hydrogen pressure

International Nuclear Information System (INIS)

Aoki, M.; Noritake, T.; Kitahara, G.; Nakamori, Y.; Towata, S.; Orimo, S.

2007-01-01

The dehydriding and structural properties of the 3Mg(NH 2 ) 2 + 12LiH system under hydrogen pressure were investigated using the pressure-composition (p-c) isotherm measurement and X-ray diffraction (XRD) analysis. Two distinct regions, a plateau region and a sloping region, can be seen on the p-c isotherms and the amount of the desorbed hydrogen at 523 K was 4.9 mass%. The enthalpy of hydrogenation calculated using a van't Hoff plot was -46 kJ/mol H 2 . The dehydriding reaction was proposed for the 3Mg(NH 2 ) 2 + 12LiH system based on the obtained p-c isotherms and XRD profiles and chemical valences of Li, Mg, N, and H. In the plateau region on the p-c isotherm, Mg(NH 2 ) 2 , Li 4 Mg 3 (NH 2 ) 2 (NH) 4 (tetragonal), and LiH phases coexist and the molar ratio of the Li 4 Mg 3 (NH 2 ) 2 (NH) 4 phase increases (while those of Mg(NH 2 ) 2 and LiH phases decrease) with the amount of the desorbed hydrogen. On the other hand, the mixture of Li 4+x Mg 3 (NH 2 ) 2-x (NH) 4+x + (8-x)LiH (0 ≤ x ≤ 2) is formed and the lattice volume of the Li 4+x Mg 3 (NH 2 ) 2-x (NH) 4+x phase continuously increases with the amount of the desorbed hydrogen in the sloping region on the p-c isotherm

Process-based modelling of NH3 exchange with grazed grasslands

Science.gov (United States)

Móring, Andrea; Vieno, Massimo; Doherty, Ruth M.; Milford, Celia; Nemitz, Eiko; Twigg, Marsailidh M.; Horváth, László; Sutton, Mark A.

2017-09-01

In this study the GAG model, a process-based ammonia (NH3) emission model for urine patches, was extended and applied for the field scale. The new model (GAG_field) was tested over two modelling periods, for which micrometeorological NH3 flux data were available. Acknowledging uncertainties in the measurements, the model was able to simulate the main features of the observed fluxes. The temporal evolution of the simulated NH3 exchange flux was found to be dominated by NH3 emission from the urine patches, offset by simultaneous NH3 deposition to areas of the field not affected by urine. The simulations show how NH3 fluxes over a grazed field in a given day can be affected by urine patches deposited several days earlier, linked to the interaction of volatilization processes with soil pH dynamics. Sensitivity analysis showed that GAG_field was more sensitive to soil buffering capacity (β), field capacity (θfc) and permanent wilting point (θpwp) than the patch-scale model. The reason for these different sensitivities is dual. Firstly, the difference originates from the different scales. Secondly, the difference can be explained by the different initial soil pH and physical properties, which determine the maximum volume of urine that can be stored in the NH3 source layer. It was found that in the case of urine patches with a higher initial soil pH and higher initial soil water content, the sensitivity of NH3 exchange to β was stronger. Also, in the case of a higher initial soil water content, NH3 exchange was more sensitive to the changes in θfc and θpwp. The sensitivity analysis showed that the nitrogen content of urine (cN) is associated with high uncertainty in the simulated fluxes. However, model experiments based on cN values randomized from an estimated statistical distribution indicated that this uncertainty is considerably smaller in practice. Finally, GAG_field was tested with a constant soil pH of 7.5. The variation of NH3 fluxes simulated in this way

Antiferromagnetism and d-wave superconductivity in the Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Krahl, H.C.

2007-07-25

The two-dimensional Hubbard model is a promising effective model for the electronic degrees of freedom in the copper-oxide planes of high temperature superconductors. We present a functional renormalization group approach to this model with focus on antiferromagnetism and d-wave superconductivity. In order to make the relevant degrees of freedom more explicitly accessible on all length scales, we introduce composite bosonic fields mediating the interaction between the fermions. Spontaneous symmetry breaking is reflected in a non-vanishing expectation value of a bosonic field. The emergence of a coupling in the d-wave pairing channel triggered by spin wave fluctuations is demonstrated. Furthermore, the highest temperature at which the interaction strength for the electrons diverges in the renormalization flow is calculated for both antiferromagnetism and d-wave superconductivity over a wide range of doping. This ''pseudo-critical'' temperature signals the onset of local ordering. Moreover, the temperature dependence of d-wave superconducting order is studied within a simplified model characterized by a single coupling in the d-wave pairing channel. The phase transition within this model is found to be of the Kosterlitz-Thouless type. (orig.)

Downsizing a long-term precipitation network: Using a quantitative approach to inform difficult decisions.

Science.gov (United States)

Green, Mark B; Campbell, John L; Yanai, Ruth D; Bailey, Scott W; Bailey, Amey S; Grant, Nicholas; Halm, Ian; Kelsey, Eric P; Rustad, Lindsey E

2018-01-01

The design of a precipitation monitoring network must balance the demand for accurate estimates with the resources needed to build and maintain the network. If there are changes in the objectives of the monitoring or the availability of resources, network designs should be adjusted. At the Hubbard Brook Experimental Forest in New Hampshire, USA, precipitation has been monitored with a network established in 1955 that has grown to 23 gauges distributed across nine small catchments. This high sampling intensity allowed us to simulate reduced sampling schemes and thereby evaluate the effect of decommissioning gauges on the quality of precipitation estimates. We considered all possible scenarios of sampling intensity for the catchments on the south-facing slope (2047 combinations) and the north-facing slope (4095 combinations), from the current scenario with 11 or 12 gauges to only 1 gauge remaining. Gauge scenarios differed by as much as 6.0% from the best estimate (based on all the gauges), depending on the catchment, but 95% of the scenarios gave estimates within 2% of the long-term average annual precipitation. The insensitivity of precipitation estimates and the catchment fluxes that depend on them under many reduced monitoring scenarios allowed us to base our reduction decision on other factors such as technician safety, the time required for monitoring, and co-location with other hydrometeorological measurements (snow, air temperature). At Hubbard Brook, precipitation gauges could be reduced from 23 to 10 with a change of <2% in the long-term precipitation estimates. The decision-making approach illustrated in this case study is applicable to the redesign of monitoring networks when reduction of effort seems warranted.

First principles study of NH3 molecular adsorption on LiH (100) surfaces

International Nuclear Information System (INIS)

Lu Xiaoxia; Chen Yuhong; Dong Xiao

2012-01-01

The adsorption of NH 3 on LiH (100) crystal surfaces was studied by first principles method. The preferred adsorption sites, adsorption energy, dissociation energy and electronic structure of the LiH (100)/NH 3 systems were calculated separately. It is found that chemical adsorption happened mainly when NH 3 molecules are on the LiH (100) crystal surfaces. When NH 3 is adsorbed on the Li top site, NH 2 is formed on the LiH (100) crystal surfaces after loss of H atom, the calculated adsorption energy, 0.511 eV, belongs to strong chemical adsorption, then the interaction is strongest. The interaction between NH 2 and the neighboring Li, H are ionic. The covalent bonds are formed between N and H atoms in NH 2 . One H 2 molecule is formed by another H atom in NH 3 and H atom from LiH (100) crystal sur- faces. The covalent bonds are formed between H and H atoms in H 2 . (authors)

Infrared spectra of the ammonium ion in ammonium metavanadate NH 4VO 3

Science.gov (United States)

de Waal, D.; Heyns, A. M.; Range, K.-J.; Eglmeier, C.

The ND stretching modes of isotopically dilute NH 3D + ions in NH 4VO 3 are in agreement with the predicted splitting into C s, C s and C1(2) components under C s site symmetry for the NH +4 ion. The three bands observed represent the three NH bonding distances in the crystal, and the position, shape and low temperature behaviour of each band confirms the existence of two types of hydrogen bonding in NH 4VO 3. The low temperature infrared modes of NH +4 and ND +4 in NH 4VO 3 and ND 4VO 3, respectively, can be assigned under space group Pbcm. Temperature dependence of these modes also reflects the presence of both normal and bifurcated hydrogen bonds in NH 4VO 3.

Phase diagram and topological phases in the triangular lattice Kitaev-Hubbard model

Science.gov (United States)

Li, Kai; Yu, Shun-Li; Gu, Zhao-Long; Li, Jian-Xin

2016-09-01

We study the half-filled Hubbard model on a triangular lattice with spin-dependent Kitaev-like hopping. Using the variational cluster approach, we identify five phases: a metallic phase, a non-coplanar chiral magnetic order, a 120° magnetic order, a nonmagnetic insulator (NMI), and an interacting Chern insulator (CI) with a nonzero Chern number. The transition from CI to NMI is characterized by the change of the charge gap from an indirect band gap to a direct Mott gap. Based on the slave-rotor mean-field theory, the NMI phase is further suggested to be a gapless Mott insulator with a spinon Fermi surface or a fractionalized CI with nontrivial spinon topology, depending on the strength of the Kitaev-like hopping. Our work highlights the rising field in which interesting phases emerge from the interplay between band topology and Mott physics.

Can disorder act as a chemical pressure? An optical study of the Hubbard model

Science.gov (United States)

Barman, H.; Laad, M. S.; Hassan, S. R.

2018-05-01

The optical properties have been studied using the dynamical mean-field theory on a disordered Hubbard model. Despite the fact that disorder turns a metal to an insulator in high dimensional correlated materials, we notice that it can enhance certain metallic behavior as if a chemical pressure is applied to the system resulting in an increase of the effective lattice bandwidth (BW). We study optical properties in such a scenario and compare results with experiments where the BW is changed through isovalent chemical substitution (keeping electron filling unaltered) and obtain remarkable similarities vindicating our claim. We also make the point that these similarities differ from some other forms of BW tuned optical effects.

Investigation on thermal evaporated CH3NH3PbI3 thin films

Directory of Open Access Journals (Sweden)

Youzhen Li

2015-09-01

Full Text Available CH3NH3I, PbI2 and CH3NH3PbI3 films were fabricated by evaporation and characterized with X-ray Photoelectron Spectroscopy (XPS and X-ray diffraction (XRD. The XPS results indicate that the PbI2 and CH3NH3PbI3 films are more uniform and stable than the CH3NH3I film. The atomic ratio of the CH3NH3I, PbI2 and CH3NH3PbI3 films are C:N:I=1.00:1.01:0.70, Pb:I= 1.00:1.91 and C: N: Pb: I = 1.29:1.07:1.00:2.94, respectively. The atomic ratio of CH3NH3PbI3 is very close to that of the ideal perovskite. Small angle x-ray diffraction results demonstrate that the as evaporated CH3NH3PbI3 film is crystalline. The valence band maximum (VBM and work function (WF of the CH3NH3PbI3 film are about 0.85eV and 4.86eV, respectively.

SURVEY OBSERVATIONS OF A POSSIBLE GLYCINE PRECURSOR, METHANIMINE (CH{sub 2}NH)

Energy Technology Data Exchange (ETDEWEB)

Suzuki, Taiki; Ohishi, Masatoshi; Hirota, Tomoya; Saito, Masao [Department of Astronomy, the Graduate University for Advanced Studies (SOKENDAI), Osawa 2-21-1, Mitaka, Tokyo 181-8588 (Japan); Majumdar, Liton; Wakelam, Valentine, E-mail: taiki.suzuki@nao.ac.jp [Univ. Bordeaux, LAB, UMR 5804, F-33270, Floirac (France)

2016-07-01

We conducted survey observations of a glycine precursor, methanimine, or methylenimine (CH{sub 2}NH), with the Nobeyama Radio Observatory 45 m telescope and the Sub-Millimeter Radio telescope toward 12 high-mass and two low-mass star-forming regions in order to increase the number of known CH{sub 2}NH sources and to better understand the characteristics of CH{sub 2}NH sources. As a result of our survey, CH{sub 2}NH was detected in eight sources, including four new sources. The estimated fractional abundances were ∼10{sup −8} in Orion KL and G10.47+0.03, while they were ∼10{sup −9} toward the other sources. Our hydrogen recombination line and past studies suggest that CH{sub 2}NH-rich sources have less (this mean not so evolved) evolved H ii regions. The lower destruction rates from UV flux from the central star would contribute to the high CH{sub 2}NH abundances toward CH{sub 2}NH-rich sources. Our gas-grain chemical simulations suggest that CH{sub 2}NH is mostly formed in the gas phase by neutral–neutral reactions, rather than being the product of thermal evaporation from dust surfaces.

Urban NH3 levels and sources in six major Spanish cities.

Science.gov (United States)

Reche, Cristina; Viana, Mar; Karanasiou, Angeliki; Cusack, Michael; Alastuey, Andrés; Artiñano, Begoña; Revuelta, M Aranzazu; López-Mahía, Purificación; Blanco-Heras, Gustavo; Rodríguez, Sergio; Sánchez de la Campa, Ana M; Fernández-Camacho, Rocío; González-Castanedo, Yolanda; Mantilla, Enrique; Tang, Y Sim; Querol, Xavier

2015-01-01

A detailed spatial and temporal assessment of urban NH3 levels and potential emission sources was made with passive samplers in six major Spanish cities (Barcelona, Madrid, A Coruña, Huelva, Santa Cruz de Tenerife and Valencia). Measurements were conducted during two different periods (winter-autumn and spring-summer) in each city. Barcelona showed the clearest spatial pattern, with the highest concentrations in the old city centre, an area characterised by a high population density and a dense urban architecture. The variability in NH3 concentrations did not follow a common seasonal pattern across the different cities. The relationship of urban NH3 with SO2 and NOX allowed concluding on the causes responsible for the variations in NH3 levels between measurement periods observed in Barcelona, Huelva and Madrid. However, the factors governing the variations in A Coruña, Valencia and Santa Cruz de Tenerife are still not fully understood. This study identified a broad variability in NH3 concentrations at the city-scale, and it confirms that NH3 sources in Spanish urban environments are vehicular traffic, biological sources (e.g. garbage containers), wastewater treatment plants, solid waste treatment plants and industry. The importance of NH3 monitoring in urban environments relies on its role as a precursor of secondary inorganic species and therefore PMX. Further research should be addressed in order to establish criteria to develop and implement mitigation strategies for cities, and to include urban NH3 sources in the emission inventories. Copyright © 2014 Elsevier Ltd. All rights reserved.

Approximation auto-coherente a deux particules, pseudogap et supraconductivite dans le modele de Hubbard attractif

Science.gov (United States)

Allen, Steve

2000-10-01

Dans cette these nous presentons une nouvelle methode non perturbative pour le calcul des proprietes d'un systeme de fermions. Notre methode generalise l'approximation auto-coherente a deux particules proposee par Vilk et Tremblay pour le modele de Hubbard repulsif. Notre methode peut s'appliquer a l'etude du comportement pre-critique lorsque la symetrie du parametre d'ordre est suffisamment elevee. Nous appliquons la methode au probleme du pseudogap dans le modele de Hubbard attractif. Nos resultats montrent un excellent accord avec les donnees Monte Carlo pour de petits systemes. Nous observons que le regime ou apparait le pseudogap dans le poids spectral a une particule est un regime classique renormalise caracterise par une frequence caracteristique des fluctuations supraconductrices inferieure a la temperature. Une autre caracteristique est la faible densite de superfluide de cette phase demontrant que nous ne sommes pas en presence de paires preformees. Les resultats obtenus semblent montrer que la haute symetrie du parametre d'ordre et la bidimensionalite du systeme etudie elargissent le domaine de temperature pour lequel le regime pseudogap est observe. Nous argumentons que ce resultat est transposable aux supraconducteurs a haute temperature critique ou le pseudogap apparait a des' temperatures beaucoup plus grandes que la temperature critique. La forte symetrie dans ces systemes pourraient etre reliee a la theorie SO(5) de Zhang. En annexe, nous demontrons un resultat tout recent qui permettrait d'assurer l'auto-coherence entre les proprietes a une et a deux particules par l'ajout d'une dynamique au vertex irreductible. Cet ajout laisse entrevoir la possibilite d'etendre la methode au cas d'une forte interaction.

Non local theory of excitations applied to the Hubbard model

International Nuclear Information System (INIS)

Kakehashi, Y; Nakamura, T; Fulde, P

2010-01-01

We propose a nonlocal theory of single-particle excitations. It is based on an off-diagonal effective medium and the projection operator method for treating the retarded Green function. The theory determines the nonlocal effective medium matrix elements by requiring that they are consistent with those of the self-energy of the Green function. This arrows for a description of long-range intersite correlations with high resolution in momentum space. Numerical study for the half-filled Hubbard model on the simple cubic lattice demonstrates that the theory is applicable to the strong correlation regime as well as the intermediate regime of Coulomb interaction strength. Furthermore the results show that nonlocal excitations cause sub-bands in the strong Coulomb interaction regime due to strong antiferromagnetic correlations, decrease the quasi-particle peak on the Fermi level with increasing Coulomb interaction, and shift the critical Coulomb interaction U C2 for the divergence of effective mass towards higher energies at least by a factor of two as compared with that in the single-site approximation.

Low energy electron attachment to cyanamide (NH{sub 2}CN)

Energy Technology Data Exchange (ETDEWEB)

Tanzer, Katrin; Denifl, Stephan, E-mail: Andrzej.Pelc@poczta.umcs.lublin.pl, E-mail: Stephan.Denifl@uibk.ac.at [Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck (Austria); Pelc, Andrzej, E-mail: Andrzej.Pelc@poczta.umcs.lublin.pl, E-mail: Stephan.Denifl@uibk.ac.at [Mass Spectrometry Department, Institute of Physics, Marie Curie-Sklodowska University, Pl. M. C.-Sklodowskiej 1, 20-031 Lublin (Poland); Huber, Stefan E. [Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck (Austria); Lehrstuhl für Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany); Czupyt, Z. [Ion Microprobe Facility Micro-area Analysis Laboratory, Polish Geological Institute–National Research Institute, Rakowiecka 4, 00-975 Warszawa (Poland)

2015-01-21

Cyanamide (NH{sub 2}CN) is a molecule relevant for interstellar chemistry and the chemical evolution of life. In the present investigation, dissociative electron attachment to NH{sub 2}CN has been studied in a crossed electron–molecular beams experiment in the electron energy range from about 0 eV to 14 eV. The following anionic species were detected: NHCN{sup −}, NCN{sup −}, CN{sup −}, NH{sub 2}{sup −}, NH{sup −}, and CH{sub 2}{sup −}. The anion formation proceeds within two broad electron energy regions, one between about 0.5 and 4.5 eV and a second between 4.5 and 12 eV. A discussion of possible reaction channels for all measured negative ions is provided. The experimental results are compared with calculations of the thermochemical thresholds of the anions observed. For the dehydrogenated parent anion, we explain the deviation between the experimental appearance energy of the anion with the calculated corresponding reaction threshold by electron attachment to the isomeric form of NH{sub 2}CN—carbodiimide.

A Statistical Analysis of the Relationship of Distance and Mode of Transportation on Length of Stay at Brooke Army Medical Center

National Research Council Canada - National Science Library

Hagen, John

1997-01-01

.... Transportation Command's (TRANSCOM) aeromedical evacuation system, to determine their influence on length of hospital stay at Brooke Army Medical Center in FY 1996 in order to better understand the irnpact these patients have on utilization management...

Valence-bond theory of linear Hubbard and Pariser-Parr-Pople models

Science.gov (United States)

Soos, Z. G.; Ramasesha, S.

1984-05-01

The ground and low-lying states of finite quantum-cell models with one state per site are obtained exactly through a real-space basis of valence-bond (VB) diagrams that explicitly conserve the total spin. Regular and alternating Hubbard and Pariser-Parr-Pople (PPP) chains and rings with Ne electrons on N(PPP models, but differ from mean-field results. Molecular PPP parameters describe well the excitations of finite polyenes, odd polyene ions, linear cyanine dyes, and slightly overestimate the absorption peaks in polyacetylene (CH)x. Molecular correlations contrast sharply with uncorrelated descriptions of topological solitons, which are modeled by regular polyene radicals and their ions for both wide and narrow alternation crossovers. Neutral solitons have no midgap absorption and negative spin densities, while the intensity of the in-gap excitation of charged solitons is not enhanced. The properties of correlated states in quantum-cell models with one valence state per site are discussed in the adiabatic limit for excited-state geometries and instabilities to dimerization.

Mechanism of the self-condensation of GlcNH₂

DEFF Research Database (Denmark)

Jia, Lingyu; Liu, Xingchen; Qiao, Yan

2017-01-01

A combined experimental and computational study on the imidazolium ionic liquid-promoted conversion of d-Glucosamine (GlcNH2) to deoxyfructosazine (DOF) and fructosazine (FZ) was performed. The pathways for the formation of DOF and FZ via self-condensation of GlcNH2 were investigated by in situ13C...... NMR using site-selectively 13C-labeled GlcNH2. The structural characterization of the reactive species by ESI–MS spectrometry combined with NMR analysis of [13C-1]GlcNH2 indicates that the first carbon (C-1) of GlcNH2 maps onto the corresponding ring carbons of the intermediate, called...... dihydrofructosazine, indicates that both pathways are plausible and that the pathway to DOF is thermodynamically more favorable than that to FZ. The theoretical results are consistent with the experimental observations, and therefore, a detailed and reasonable reaction mechanism was proposed...

Calcium and aluminum impacts on sugar maple physiology in a northern hardwood forest.

Science.gov (United States)

Halman, Joshua M; Schaberg, Paul G; Hawley, Gary J; Pardo, Linda H; Fahey, Timothy J

2013-11-01

Forests of northeastern North America have been exposed to anthropogenic acidic inputs for decades, resulting in altered cation relations and disruptions to associated physiological processes in multiple tree species, including sugar maple (Acer saccharum Marsh.). In the current study, the impacts of calcium (Ca) and aluminum (Al) additions on mature sugar maple physiology were evaluated at the Hubbard Brook Experimental Forest (Thornton, NH, USA) to assess remediation (Ca addition) or exacerbation (Al addition) of current acidified conditions. Fine root cation concentrations and membrane integrity, carbon (C) allocation, foliar cation concentrations and antioxidant activity, foliar response to a spring freezing event and reproductive ability (flowering, seed quantity, filled seed and seed germination) were evaluated for dominant sugar maple trees in a replicated plot study. Root damage and foliar antioxidant activity were highest in Al-treated trees, while growth-associated C, foliar re-flush following a spring frost and reproductive ability were highest in Ca-treated trees. In general, we found that trees on Ca-treated plots preferentially used C resources for growth and reproductive processes, whereas Al-treated trees devoted C to defense-based processes. Similarities between Al-treated and control trees were observed for foliar cation concentrations, C partitioning and seed production, suggesting that sugar maples growing in native forests may be more stressed than previously perceived. Our experiment suggests that disruption of the balance of Ca and Al in sugar maples by acid deposition continues to be an important driver of tree health.

Transcriptomic and physiological analysis of common duckweed Lemna minor responses to NH4(+) toxicity.

Science.gov (United States)

Wang, Wenguo; Li, Rui; Zhu, Qili; Tang, Xiaoyu; Zhao, Qi

2016-04-18

Plants can suffer ammonium (NH4 (+)) toxicity, particularly when NH4 (+) is supplied as the sole nitrogen source. However, our knowledge about the underlying mechanisms of NH4 (+) toxicity is still largely unknown. Lemna minor, a model duckweed species, can grow well in high NH4 (+) environment but to some extent can also suffer toxic effects. The transcriptomic and physiological analysis of L. minor responding to high NH4 (+) may provide us some interesting and useful information not only in toxic processes, but also in tolerance mechanisms. The L. minor cultured in the Hoagland solution were used as the control (NC), and in two NH4 (+) concentrations (NH4 (+) was the sole nitrogen source), 84 mg/L (A84) and 840 mg/L (A840) were used as stress treatments. The NH4 (+) toxicity could inhibit the growth of L. minor. Reactive oxygen species (ROS) and cell death were studied using stained fronds under toxic levels of NH4 (+). The malondialdehyde content and the activities of superoxide dismutase and peroxidase increased from NC to A840, rather than catalase and ascorbate peroxidase. A total of 6.62G nucleotides were generated from the three distinct libraries. A total of 14,207 differentially expressed genes (DEGs) among 70,728 unigenes were obtained. All the DEGs could be clustered into 7 profiles. Most DEGs were down-regulated under NH4 (+) toxicity. The genes required for lignin biosynthesis in phenylpropanoid biosynthesis pathway were up-regulated. ROS oxidative-related genes and programmed cell death (PCD)-related genes were also analyzed and indicated oxidative damage and PCD occurring under NH4 (+) toxicity. The first large transcriptome study in L. minor responses to NH4 (+) toxicity was reported in this work. NH4 (+) toxicity could induce ROS accumulation that causes oxidative damage and thus induce cell death in L. minor. The antioxidant enzyme system was activated under NH4 (+) toxicity for ROS scavenging. The phenylpropanoid pathway was stimulated under

Dynamical mean field study of the Mott transition in the half-filled Hubbard model on a triangular lattice

OpenAIRE

Aryanpour, K.; Pickett, W. E.; Scalettar, R. T.

2006-01-01

We employ dynamical mean field theory (DMFT) with a Quantum Monte Carlo (QMC) atomic solver to investigate the finite temperature Mott transition in the Hubbard model with the nearest neighbor hopping on a triangular lattice at half-filling. We estimate the value of the critical interaction to be $U_c=12.0 \\pm 0.5$ in units of the hopping amplitude $t$ through the evolution of the magnetic moment, spectral function, internal energy and specific heat as the interaction $U$ and temperature $T$ ...

Eleven-year response of foliar chemistry to chronic nitrogen and sulfur additions at the Bear Brook Watershed in Maine

Science.gov (United States)

Jose Alexander Elvir; Lindsey Rustad; G. Bruce Wiersma; Ivan Fernandez; Alan S. White; Gregory J. White

2005-01-01

The foliar chemistry of sugar maple (Acer saccharum Marsh.), American beech (Fagus grandifolia Ehrh.), and red spruce (Picea rubens Sarg.) was studied from 1993 to 2003 at the Bear Brook Watershed in Maine (BBWM). The BBWM is a paired-watershed forest ecosystem study, with one watershed treated bimonthly since...

Photostriction of CH3NH3PbBr3 Perovskite Crystals

KAUST Repository

Wei, Tzu-Chiao

2017-07-17

Organic-inorganic hybrid perovskite materials exhibit a variety of physical properties. Pronounced coupling between phonon, organic cations, and the inorganic framework suggest that these materials exhibit strong light-matter interactions. The photoinduced strain of CH3 NH3 PbBr3 is investigated using high-resolution and contactless in situ Raman spectroscopy. Under illumination, the material exhibits large blue shifts in its Raman spectra that indicate significant structural deformations (i.e., photostriction). From these shifts, the photostrictive coefficient of CH3 NH3 PbBr3 is calculated as 2.08 × 10-8 m2 W-1 at room temperature under visible light illumination. The significant photostriction of CH3 NH3 PbBr3 is attributed to a combination of the photovoltaic effect and translational symmetry loss of the molecular configuration via strong translation-rotation coupling. Unlike CH3 NH3 PbI3 , it is noted that the photostriction of CH3 NH3 PbBr3 is extremely stable, demonstrating no signs of optical decay for at least 30 d. These results suggest the potential of CH3 NH3 PbBr3 for applications in next-generation optical micro-electromechanical devices.

Phase diagram of the disordered Bose-Hubbard model

International Nuclear Information System (INIS)

Gurarie, V.; Pollet, L.; Prokof'ev, N. V.; Svistunov, B. V.; Troyer, M.

2009-01-01

We establish the phase diagram of the disordered three-dimensional Bose-Hubbard model at unity filling which has been controversial for many years. The theorem of inclusions, proven by Pollet et al. [Phys. Rev. Lett. 103, 140402 (2009)] states that the Bose-glass phase always intervenes between the Mott insulating and superfluid phases. Here, we note that assumptions on which the theorem is based exclude phase transitions between gapped (Mott insulator) and gapless phases (Bose glass). The apparent paradox is resolved through a unique mechanism: such transitions have to be of the Griffiths type when the vanishing of the gap at the critical point is due to a zero concentration of rare regions where extreme fluctuations of disorder mimic a regular gapless system. An exactly solvable random transverse field Ising model in one dimension is used to illustrate the point. A highly nontrivial overall shape of the phase diagram is revealed with the worm algorithm. The phase diagram features a long superfluid finger at strong disorder and on-site interaction. Moreover, bosonic superfluidity is extremely robust against disorder in a broad range of interaction parameters; it persists in random potentials nearly 50 (!) times larger than the particle half-bandwidth. Finally, we comment on the feasibility of obtaining this phase diagram in cold-atom experiments, which work with trapped systems at finite temperature.

Two new species of Dendrobrachia Brook, 1889 (Cnidaria: Octocorallia: Dendrobrachiidae from the north-eastern Atlantic and western Mediterranean

Directory of Open Access Journals (Sweden)

Pablo J. López-González

2010-08-01

Full Text Available Examination of recent benthic material collected during several cruises in the Gulf of Cadiz (NE Atlantic and the Strait of Sicily (Mediterranean has allowed the taxonomic reassessment of some previously identified specimens belonging to the monogeneric gorgonian family Dendrobrachiidae Brook, 1889. Dendrobrachia fallax Brook, 1889 is the type species of the single genus in this family, and was originally described from Ascension Island (South Atlantic. Subsequently, other authors reported the presence of this species in Cape Verde Islands (north-eastern Atlantic and some Mediterranean localities (Alboran Sea and the Strait of Sicily. The study of the specimen from the Prince of Monaco collections in Cape Verde Islands, and recently collected material from the Gulf of Cadiz (north-eastern Atlantic and in the south of Malta (Mediterranean, materials previously considered as D. fallax, allow us to recognize two undescribed species in this genus. All previous records of D. fallax from the north-eastern Atlantic and Mediterranean should be considered incorrect. Opresko and Bayer (1991 added two additional species of Dendrobrachia. Two new species are described here and compared with their congeners.

K-Ar geochronology of the Survey Pass, Ambler River and Eastern Baird Mountains quadrangles, southwestern Brooks Range, Alaska

Science.gov (United States)

Turner, Donald L.; Forbes, R.B.; Mayfield, C.F.

1978-01-01

We report 76 previously unpublished K-Ar mineral ages from 47 metamorphic and igneous rocks in the southwestern Brooks Range. The pattern of radiometric ages is complex, reflecting the complex geologic history of this area. Local and regional radiometric evidence suggests that the southern Brooks Range schist belt has, at least in part, undergone a late Precambrian metamorphism and that the parent sedimentary and igneous rocks for the metamorphic rocks dated as late Precambrian are at least this old (Precambrian Z). This schist terrane experienced a major thermal event in mid-Cretaceous time, causing widespread resetting of nearly all K-Ar mica ages. A series of apparent ages intermediate between late Precambrian and mid-Cretaceous are interpreted as indicating varying amounts of partial argon loss from older rocks during the Cretaceous event. The schist belt is characterized by dominant metasediments and subordinate metabasites and metafelsites. Blueschists occur within the schist belt from the Chandalar quadrangle westward to the Baird Mountains quadrangle, but geologic evidence does not support the existence of a fossil subduction zone.

Effects of atmospheric ammonia (NH{sub 3}) on terrestrial vegetation: a review

Energy Technology Data Exchange (ETDEWEB)

Krupa, S.V

2003-07-01

A review of atmospheric ammonia (NH{sub 3}) and ammonium (NH{sub 4}{sup +}) deposition and their effects on plants. - At the global scale, among all N (nitrogen) species in the atmosphere and their deposition on to terrestrial vegetation and other receptors, NH{sub 3} (ammonia) is considered to be the foremost. The major sources for atmospheric NH{sub 3} are agricultural activities and animal feedlot operations, followed by biomass burning (including forest fires) and to a lesser extent fossil fuel combustion. Close to its sources, acute exposures to NH{sub 3} can result in visible foliar injury on vegetation. NH{sub 3} is deposited rapidly within the first 4-5 km from its source. However, NH{sub 3} is also converted in the atmosphere to fine particle NH{sub 4}{sup +} (ammonium) aerosols that are a regional scale problem. Much of our current knowledge of the effects of NH{sub 3} on higher plants is predominantly derived from studies conducted in Europe. Adverse effects on vegetation occur when the rate of foliar uptake of NH{sub 3} is greater than the rate and capacity for in vivo detoxification by the plants. Most to least sensitive plant species to NH{sub 3} are native vegetation > forests > agricultural crops. There are also a number of studies on N deposition and lichens, mosses and green algae. Direct cause and effect relationships in most of those cases (exceptions being those locations very close to point sources) are confounded by other environmental factors, particularly changes in the ambient SO{sub 2} (sulfur dioxide) concentrations. In addition to direct foliar injury, adverse effects of NH{sub 3} on higher plants include alterations in: growth and productivity, tissue content of nutrients and toxic elements, drought and frost tolerance, responses to insect pests and disease causing microorganisms (pathogens), development of beneficial root symbiotic or mycorrhizal associations and inter species competition or biodiversity. In all these cases, the joint

Off-site interaction effect in the Extended Hubbard Model with the SCRPA method

International Nuclear Information System (INIS)

Harir, S; Bennai, M; Boughaleb, Y

2007-01-01

The self consistent random phase approximation (SCRPA) and a direct analytical (DA) method are proposed to solve the Extended Hubbard Model (EHM) in one dimension (1D). We have considered an EHM including on-site and off-site interactions for closed chains in 1D with periodic boundary conditions. The comparison of the SCRPA results with the ones obtained by a DA approach shows that the SCRPA treats the problem of these closed chains in a rigorous manner. The analysis of the nearest-neighbour repulsion effect on the dynamics of our closed chains shows that this repulsive interaction between the electrons of the neighbouring atoms induces supplementary conductivity, since, the SCRPA energygap vanishes when these closed chains are governed by a strong repulsive on-site interaction and intermediate nearest-neighbour repulsion

Two-particle excitations in the Hubbard model for high-temperature superconductors. A quantum cluster study

International Nuclear Information System (INIS)

Brehm, Sascha

2009-01-01

Two-particle excitations, such as spin and charge excitations, play a key role in high-T c cuprate superconductors (HTSC). Due to the antiferromagnetism of the parent compound the magnetic excitations are supposed to be directly related to the mechanism of superconductivity. In particular, the so-called resonance mode is a promising candidate for the pairing glue, a bosonic excitation mediating the electronic pairing. In addition, its interactions with itinerant electrons may be responsible for some of the observed properties of HTSC. Hence, getting to the bottom of the resonance mode is crucial for a deeper understanding of the cuprate materials. To analyze the corresponding two-particle correlation functions we develop in the present thesis a new, non-perturbative and parameter-free technique for T=0 which is based on the Variational Cluster Approach (VCA, an embedded cluster method for one-particle Green's functions). Guided by the spirit of the VCA we extract an effective electron-hole vertex from an isolated cluster and use a fully renormalized bubble susceptibility χ 0 including the VCA one-particle propagators. Within our new approach, the magnetic excitations of HTSC are shown to be reproduced for the Hubbard model within the relevant strong-coupling regime. Exceptionally, the famous resonance mode occurring in the underdoped regime within the superconductivity-induced gap of spin-flip electron-hole excitations is obtained. Its intensity and hourglass dispersion are in good overall agreement with experiments. Furthermore, characteristic features such as the position in energy of the resonance mode and the difference of the imaginary part of the susceptibility in the superconducting and the normal states are in accord with Inelastic Neutron Scattering (INS) experiments. For the first time, a strongly-correlated parameter-free calculation revealed these salient magnetic properties supporting the S=1 magnetic exciton scenario for the resonance mode. Besides

Towards validation of ammonia (NH3) measurements from the IASI satellite

Science.gov (United States)

Van Damme, M.; Clarisse, L.; Dammers, E.; Liu, X.; Nowak, J. B.; Clerbaux, C.; Flechard, C. R.; Galy-Lacaux, C.; Xu, W.; Neuman, J. A.; Tang, Y. S.; Sutton, M. A.; Erisman, J. W.; Coheur, P. F.

2015-03-01

Limited availability of ammonia (NH3) observations is currently a barrier for effective monitoring of the nitrogen cycle. It prevents a full understanding of the atmospheric processes in which this trace gas is involved and therefore impedes determining its related budgets. Since the end of 2007, the Infrared Atmospheric Sounding Interferometer (IASI) satellite has been observing NH3 from space at a high spatio-temporal resolution. This valuable data set, already used by models, still needs validation. We present here a first attempt to validate IASI-NH3 measurements using existing independent ground-based and airborne data sets. The yearly distributions reveal similar patterns between ground-based and space-borne observations and highlight the scarcity of local NH3 measurements as well as their spatial heterogeneity and lack of representativity. By comparison with monthly resolved data sets in Europe, China and Africa, we show that IASI-NH3 observations are in fair agreement, but they are characterized by a smaller variation in concentrations. The use of hourly and airborne data sets to compare with IASI individual observations allows investigations of the impact of averaging as well as the representativity of independent observations for the satellite footprint. The importance of considering the latter and the added value of densely located airborne measurements at various altitudes to validate IASI-NH3 columns are discussed. Perspectives and guidelines for future validation work on NH3 satellite observations are presented.

Do native brown trout and non-native brook trout interact reproductively?

Science.gov (United States)

Cucherousset, J.; Aymes, J. C.; Poulet, N.; Santoul, F.; Céréghino, R.

2008-07-01

Reproductive interactions between native and non-native species of fish have received little attention compared to other types of interactions such as predation or competition for food and habitat. We studied the reproductive interactions between non-native brook trout ( Salvelinus fontinalis) and native brown trout ( Salmo trutta) in a Pyrenees Mountain stream (SW France). We found evidence of significant interspecific interactions owing to consistent spatial and temporal overlap in redd localizations and spawning periods. We observed mixed spawning groups composed of the two species, interspecific subordinate males, and presence of natural hybrids (tiger trout). These reproductive interactions could be detrimental to the reproduction success of both species. Our study shows that non-native species might have detrimental effects on native species via subtle hybridization behavior.

Breaking the speed limit--comparative sprinting performance of brook trout (Salvelinus fontinalis) and brown trout (Salmo trutta)

Science.gov (United States)

Castro-Santos, Theodore; Sanz-Ronda, Francisco Javier; Ruiz-Legazpi, Jorge

2013-01-01

Sprinting behavior of free-ranging fish has long been thought to exceed that of captive fish. Here we present data from wild-caught brook trout (Salvelinus fontinalis) and brown trout (Salmo trutta), volitionally entering and sprinting against high-velocity flows in an open-channel flume. Performance of the two species was nearly identical, with the species attaining absolute speeds > 25 body lengths·s−1. These speeds far exceed previously published observations for any salmonid species and contribute to the mounting evidence that commonly accepted estimates of swimming performance are low. Brook trout demonstrated two distinct modes in the relationship between swim speed and fatigue time, similar to the shift from prolonged to sprint mode described by other authors, but in this case occurring at speeds > 19 body lengths·s−1. This is the first demonstration of multiple modes of sprint swimming at such high swim speeds. Neither species optimized for distance maximization, however, indicating that physiological limits alone are poor predictors of swimming performance. By combining distributions of volitional swim speeds with endurance, we were able to account for >80% of the variation in distance traversed by both species.

NH125 kills methicillin-resistant Staphylococcus aureus persisters by lipid bilayer disruption.

Science.gov (United States)

Kim, Wooseong; Fricke, Nico; Conery, Annie L; Fuchs, Beth Burgwyn; Rajamuthiah, Rajmohan; Jayamani, Elamparithi; Vlahovska, Petia M; Ausubel, Frederick M; Mylonakis, Eleftherios

2016-01-01

NH125, a known WalK inhibitor kills MRSA persisters. However, its precise mode of action is still unknown. The mode of action of NH125 was investigated by comparing its spectrum of antimicrobial activity and its effects on membrane permeability and giant unilamellar vesicles (GUVs) with walrycin B, a WalR inhibitor and benzyldimethylhexadecylammonium chloride (16-BAC), a cationic surfactant. NH125 killed persister cells of a variety of Staphylococcus aureus strains. Similar to 16-BAC, NH125 killed MRSA persisters by inducing rapid membrane permeabilization and caused the rupture of GUVs, whereas walrycin B did not kill MRSA persisters or induce membrane permeabilization and did not affect GUVs. NH125 kills MRSA persisters by interacting with and disrupting membranes in a detergent-like manner.

Draft Genome Sequence of a Picorna-Like Virus Associated with Gill Tissue in Clinically Normal Brook Trout, Salvelinus fontinalis

OpenAIRE

Iwanowicz, Luke R.; Iwanowicz, Deborah D.; Adams, Cynthia R.; Galbraith, Heather; Aunins, Aaron; Cornman, Robert S.

2017-01-01

ABSTRACT Here, we report a draft genome sequence of a picorna-like virus associated with brook trout, Salvelinus fontinalis, gill tissue. The draft genome comprises 8,681 nucleotides, excluding the poly(A) tract, and contains two open reading frames. It is most similar to picorna-like viruses that infect invertebrates.

Draft Genome Sequence of a Picorna-Like Virus Associated with Gill Tissue in Clinically Normal Brook Trout, Salvelinus fontinalis.

Science.gov (United States)

Iwanowicz, Luke R; Iwanowicz, Deborah D; Adams, Cynthia R; Galbraith, Heather; Aunins, Aaron; Cornman, Robert S

2017-10-12

Here, we report a draft genome sequence of a picorna-like virus associated with brook trout, Salvelinus fontinalis , gill tissue. The draft genome comprises 8,681 nucleotides, excluding the poly(A) tract, and contains two open reading frames. It is most similar to picorna-like viruses that infect invertebrates.

Empirical and mechanistic evaluation of NH4(+) release kinetic in calcareous soils.

Science.gov (United States)

Ranjbar, F; Jalali, M

2014-05-01

Release, fixation, and distribution of ammonium (NH4(+)) as a source of nitrogen can play an important role in soil fertility and plant nutrition. In this study, ten surface soils, after addition of 1,000 mg NH4(+) kg(-1,) were incubated for 1 week at the field capacity moisture and 25 ± 2 °C temperature, and then NH4(+) release kinetic was investigated by sequential extractions with 10 mM CaCl2. Furthermore, NH4(+) distribution among three fractions, including water-soluble, exchangeable, and non-exchangeable, was determined in all soil samples. NH4(+) release was initially rapid followed by a slower reaction, and this was described well with the Elovich equation as an empirical model. The cumulative NH4(+) concentration released in spiked soil samples had a positive significant correlation with sand content and negative ones with pH, exchangeable Ca(2+)m and K(+), cation exchange capacity (CEC), equivalent calcium carbonate (ECC), and clay content. The cation exchange model in the PHREEQC program was successful in mechanistic simulation of the release trend of native and added NH4(+) in all control and spiked soil samples. The results of fractionation experiments showed that the non-exchangeable fraction in control and spiked soil samples was greater than that in water-soluble and exchangeable fractions. Soil properties, such as pH, exchangeable Ca(2+) and K(+), CEC, ECC, and contents of sand and clay, had significant influences on the distribution of NH4(+) among three measured fractions. This study indicated that both native and recently fixed NH4(+), added to soil through the application of fertilizers, were readily available for plant roots during 1 week after exposure.

Vectorial Modeling Of NH In Comet 2P/Encke

Science.gov (United States)

Dorman, Garrett; Pierce, D.; Cochran, A.

2010-10-01

Encke is an ideal comet for studying the relationship of radicals to their photodissociative parent molecules due to its low dust content. On 2003 October 22 - 24, we used the the 2.7 m telescope at the McDonald Observatory of the University of Texas to obtain spectra of several cometary radical species. Using a version of the Vectorial Model that has been modified to simulate Encke's prominent sunward-facing fan, we examined the spacial distribution of NH in the coma. Potential photochemical parents of NH were studied in order to understand its production and spacial distribution in the coma. Derived production rates are compared to values in other comets to constrain the primary parent of NH in Encke.

NH4+ triggers the release of astrocytic lactate via mitochondrial pyruvate shunting

Science.gov (United States)

Lerchundi, Rodrigo; Fernández-Moncada, Ignacio; Contreras-Baeza, Yasna; Sotelo-Hitschfeld, Tamara; Mächler, Philipp; Wyss, Matthias T.; Stobart, Jillian; Baeza-Lehnert, Felipe; Alegría, Karin; Weber, Bruno; Barros, L. Felipe

2015-01-01

Neural activity is accompanied by a transient mismatch between local glucose and oxygen metabolism, a phenomenon of physiological and pathophysiological importance termed aerobic glycolysis. Previous studies have proposed glutamate and K+ as the neuronal signals that trigger aerobic glycolysis in astrocytes. Here we used a panel of genetically encoded FRET sensors in vitro and in vivo to investigate the participation of NH4+, a by-product of catabolism that is also released by active neurons. Astrocytes in mixed cortical cultures responded to physiological levels of NH4+ with an acute rise in cytosolic lactate followed by lactate release into the extracellular space, as detected by a lactate-sniffer. An acute increase in astrocytic lactate was also observed in acute hippocampal slices exposed to NH4+ and in the somatosensory cortex of anesthetized mice in response to i.v. NH4+. Unexpectedly, NH4+ had no effect on astrocytic glucose consumption. Parallel measurements showed simultaneous cytosolic pyruvate accumulation and NADH depletion, suggesting the involvement of mitochondria. An inhibitor-stop technique confirmed a strong inhibition of mitochondrial pyruvate uptake that can be explained by mitochondrial matrix acidification. These results show that physiological NH4+ diverts the flux of pyruvate from mitochondria to lactate production and release. Considering that NH4+ is produced stoichiometrically with glutamate during excitatory neurotransmission, we propose that NH4+ behaves as an intercellular signal and that pyruvate shunting contributes to aerobic lactate production by astrocytes. PMID:26286989

NH4(+) triggers the release of astrocytic lactate via mitochondrial pyruvate shunting.

Science.gov (United States)

Lerchundi, Rodrigo; Fernández-Moncada, Ignacio; Contreras-Baeza, Yasna; Sotelo-Hitschfeld, Tamara; Mächler, Philipp; Wyss, Matthias T; Stobart, Jillian; Baeza-Lehnert, Felipe; Alegría, Karin; Weber, Bruno; Barros, L Felipe

2015-09-01

Neural activity is accompanied by a transient mismatch between local glucose and oxygen metabolism, a phenomenon of physiological and pathophysiological importance termed aerobic glycolysis. Previous studies have proposed glutamate and K(+) as the neuronal signals that trigger aerobic glycolysis in astrocytes. Here we used a panel of genetically encoded FRET sensors in vitro and in vivo to investigate the participation of NH4(+), a by-product of catabolism that is also released by active neurons. Astrocytes in mixed cortical cultures responded to physiological levels of NH4(+) with an acute rise in cytosolic lactate followed by lactate release into the extracellular space, as detected by a lactate-sniffer. An acute increase in astrocytic lactate was also observed in acute hippocampal slices exposed to NH4(+) and in the somatosensory cortex of anesthetized mice in response to i.v. NH4(+). Unexpectedly, NH4(+) had no effect on astrocytic glucose consumption. Parallel measurements showed simultaneous cytosolic pyruvate accumulation and NADH depletion, suggesting the involvement of mitochondria. An inhibitor-stop technique confirmed a strong inhibition of mitochondrial pyruvate uptake that can be explained by mitochondrial matrix acidification. These results show that physiological NH4(+) diverts the flux of pyruvate from mitochondria to lactate production and release. Considering that NH4(+) is produced stoichiometrically with glutamate during excitatory neurotransmission, we propose that NH4(+) behaves as an intercellular signal and that pyruvate shunting contributes to aerobic lactate production by astrocytes.

Coupling of Hubbard fermions with phonons in La{sub 2} CuO{sub 4}: A combined study using density-functional theory and the generalized tight-binding method

Energy Technology Data Exchange (ETDEWEB)

Shneyder, E.I., E-mail: shneyder@iph.krasn.ru [Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation); Reshetnev Siberian State Aerospace University, Krasnoyarsk 660014 (Russian Federation); Spitaler, J. [Materials Center Leoben Forschung GmbH, Rosegger-Straße 18, A-8700 Leoben (Austria); Kokorina, E.E.; Nekrasov, I.A. [Institute of Electrophysics UB RAS, Amundsena Str. 106, 620016 Yekaterinburg (Russian Federation); Gavrichkov, V.A. [Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation); Draxl, C. [Physics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 6, 12489 Berlin (Germany); Ovchinnikov, S.G. [Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation)

2015-11-05

We present results for the electron-phonon interaction of the Γ-point phonons in the tetragonal high-temperature phase of La{sub 2} CuO{sub 4} obtained from a hybrid scheme, combining density-functional theory (DFT) with the generalized tight-binding approach. As a starting point, eigenfrequencies and eigenvectors for the Γ-point phonons are determined from DFT within the frozen phonon approach utilizing the augmented plane wave + local orbitals method. The so obtained characteristics of electron-phonon coupling are converted into parameters of the generalized tight-binding method. This approach is a version of cluster perturbation theory and takes the strong on-site electron correlations into account. The obtained parameters describe the interaction of phonons with Hubbard fermions which form quasiparticle bands in strongly correlated electron systems. As a result, it is found that the Γ-point phonons with the strongest electron-phonon interaction are the A{sub 2u} modes (236 cm{sup −1}, 131 cm{sup −1} and 476 cm{sup −1}). Finally it is shown, that the single-electron spectral-weight redistribution between different Hubbard fermion quasiparticles results in a suppression of electron-phonon interaction which is strongest for the triplet Hubbard band with z oriented copper and oxygen electrons. - Highlights: • Electron-phonon interaction in strongly correlated electron systems is analyzed. • Interaction parameters between strongly correlated electrons and phonons are obtained. • The suppression of these parameters by strong electron correlations is demonstrated.

Momentum distribution critical exponents for one dimensional large U hubbard model in thermodynamic limit

International Nuclear Information System (INIS)

Qin Shaojin; Yu Lu.

1996-03-01

The critical exponent of the momentum distribution near k F , 3k F and 5k F are studied numerically for one-dimensional U → ∞ Hubbard model, using finite size systems and extrapolating them to the thermodynamic limit. Results at k F agree with earlier calculations, while at 3k F exponents less than 1 are obtained for finite size systems with extrapolation to 1 (regular behaviour) in the thermodynamic limit, in contrast to earlier analytic prediction 9/8. The distribution is regular at 5k F even for finite systems. The singularity near 3k F is interpreted as due to low energy excitations near 3k F in finite systems. (author). 18 refs, 4 figs, 1 tab

Limited overshooting of NH{sub 4}{sup +} ions in ammonium perchlorate; Ograniczene przeskoki jonow NH{sub 4}{sup +} w nadchloranie amonowym

Energy Technology Data Exchange (ETDEWEB)

Birczynski, A.; Lalowicz, Z.T. [Inst. of Nuclear Physics, Cracow (Poland); Ingman, L.P.; Punkkinen, M.; Ylinen, E.E. [Wihuri Physical Lab., Turku Univ., Turku (Finland)

1995-12-31

The interpretation of NMR spectra for polycrystalline sample of ammonium perchlorate in helium temperature assumes the tunneling of NH{sub 4}{sup +}. Such interpretation does not agree with experimental data. The hypothesis of additional motion (fast rotation around one of C3 axis) has been checked and discussed on the base of NMR spectra of NH{sub 4}ClO{sub 4} monocrystal for the temperature range 2.1-25 K. 9 refs, 1 fig.

Limited overshooting of NH{sub 4}{sup +} ions in ammonium perchlorate; Ograniczene przeskoki jonow NH{sub 4}{sup +} w nadchloranie amonowym

Energy Technology Data Exchange (ETDEWEB)

Birczynski, A; Lalowicz, Z T [Inst. of Nuclear Physics, Cracow (Poland); Ingman, L P; Punkkinen, M; Ylinen, E E [Wihuri Physical Lab., Turku Univ., Turku (Finland)

1996-12-31

The interpretation of NMR spectra for polycrystalline sample of ammonium perchlorate in helium temperature assumes the tunneling of NH{sub 4}{sup +}. Such interpretation does not agree with experimental data. The hypothesis of additional motion (fast rotation around one of C3 axis) has been checked and discussed on the base of NMR spectra of NH{sub 4}ClO{sub 4} monocrystal for the temperature range 2.1-25 K. 9 refs, 1 fig.

Rotational spectrum of the NH3–He van der Waals complex

Directory of Open Access Journals (Sweden)

Surin L.

2017-01-01

Full Text Available The interaction between ammonia and helium has attracted considerable interest over many years, partly because of the observation of interstellar ammonia. The rate coefficients of NH3–He scattering are an important ingredient for numerical modeling of astrochemical environments. Another, though quite different application in which the NH3–He interaction can play an important role is the doping of helium clusters with NH3 molecules to perform high-resolution spectroscopy. Such experiments are directed on the detection of non-classical response of molecular rotation in helium clusters addressing fundamental questions related to the microscopic nature of superfluidity. High-resolution spectroscopy on the NH3–He complex is an important tool for increasing our understanding of intermolecular forces between NH3 and He.

Interaction of (NH4)2ZrF6 and (NH4)3ZrF7 with strontium and lead nitrates

International Nuclear Information System (INIS)

Krysenko, G.F.; Mel'nichenko, E.I.; Ehpov, D.G.; Polishchuk, S.A.

1991-01-01

Methods of chemical, X-ray phase, thermogravimetric analysis and IR spectroscopy were used to study reactions between ammonium fluorozirconates and strontium and lead nitrates. Formation of anhydrous hexa- and octafluorozirconates of strontium and lead in the form of MZrF 6 ·0.5NH 4 F and M 2 ZrF 8 ·0.5NH 4 F double salts, which decompose at 315-430 deg C to corresponding hexa- and octafluorozirconates, was established. Effect of hydrofluoric acid on composition of lead fluorozirconates was studied

C-H and C-C activation of n -butane with zirconium hydrides supported on SBA15 containing N-donor ligands: [(≡SiNH-)(≡SiX-)ZrH2], [(≡SiNH-)(≡SiX-)2ZrH], and[(≡SiN=)(≡SiX-)ZrH] (X = -NH-, -O-). A DFT study

KAUST Repository

Pasha, Farhan Ahmad; Bendjeriou-Sedjerari, Anissa; Huang, Kuo-Wei; Basset, Jean-Marie

2014-01-01

: [(≡SiNH-)(≡SiO-)ZrH2] (A), [(≡SiNH-)2ZrH2] (B), [(≡SiNH-)(≡SiO-) 2ZrH] (C), [(≡SiNH-)2(≡SiO-)ZrH] (D), [(≡SiN=)(≡Si-O-)ZrH] (E), and [(≡SiN=)(≡SiNH-)ZrH] (F). The roles of these hydrides have been investigated in C-H/C-C bond activation and cleavage

Crystal structure and charge density analysis of Li2NH by synchrotron X-ray diffraction

International Nuclear Information System (INIS)

Noritake, T.; Nozaki, H.; Aoki, M.; Towata, S.; Kitahara, G.; Nakamori, Y.; Orimo, S.

2005-01-01

Complex hydrides, such as lithium amide (LiNH 2 ) and lithium imide (Li 2 NH), have recently been noticed as one of the most promising materials for reversible hydrogen storage. In this paper, we reveal the bonding nature of hydrogen in Li 2 NH crystal by synchrotron powder X-ray diffraction measurement at room temperature. The crystal structure was refined by Rietveld method and the charge density distribution was analyzed by maximum entropy method (MEM). The Li 2 NH crystal is anti-fluorite type structure (space group Fm3-bar m) consisting of Li and NH. Hydrogen atom occupies randomly the 48h (Wyckoff notation) sites around N atom. The refined lattice constant is a=5.0742(2)A. The charge density distribution around NH anion in Li 2 NH is almost spherical. The number of electrons within the sphere around the Li and NH is estimated from the obtained charge density distribution. As the result, the ionic charge is expressed as [Li 0.99+ ] 2 [NH] 1.21- . Therefore, it is confirmed experimentally that Li 2 NH is ionically bonded

NO3-/NH4+ proportions affect cadmium bioaccumulation and tolerance of tomato.

Science.gov (United States)

Nogueirol, Roberta Corrêa; Monteiro, Francisco Antonio; de Souza Junior, João Cardoso; Azevedo, Ricardo Antunes

2018-05-01

With the growth of the world population, cadmium (Cd) concentration in the environment has increased considerably as a result of human activities such as foundry, battery disposal, mining, application of fertilizers containing toxic elements as impurities, and disposal of metal-containing waste. Higher plants uptake N as ammonium (NH 4 + ), nitrate (NO 3 - ), and many other water-soluble compounds such as urea and amino acids, and nourishing plants with N, providing part of it as NH 4 + , is an interesting alternative to the supply of this nutrient in the exclusive form of NO 3 - under Cd toxicity. The objective was to evaluate the influence of NO 3 - /NH 4 + proportions on the development and tolerance of tomato plants grown under the presence of Cd in the culture medium. The experiment was conducted in a completely randomized block design in a 3 × 3 factorial arrangement consisting of three Cd rates (0, 50, and 100 μmol L -1 ) and three NO 3 - /NH 4 + proportions (100/0, 70/30, and 50/50) in the nutrient solution. To this end, we quantified the responses of the antioxidant enzymatic system and productive and functional changes in Solanum lycopersicum var. esculentum (Calabash Rouge). Shoot biomass production decreased with the maximum Cd rate (100 μmol L -1 ) tested in the growth medium, whereas the NO 3 - /NH 4 + proportions and other Cd rates did not significantly influence this variable. The lowest SPAD values were observed at the 100/0 NO 3 - /NH 4 + proportion and in plants exposed to Cd. The largest accumulation of the metal occurred in the shoots at the NO 3 - /NH 4 + proportion of 70/30 and at 100 μmol L -1 Cd and in the roots at 100/0 NO 3 - /NH 4 + and with 50 and 100 μmol L -1 Cd. The concentration and accumulation of NO 3 - were highest at the NO 3 - /NH 4 + proportion of 100/0 in the shoots and at 50/50 NO 3 - /NH 4 + in the roots, whereas for NH 4 + , values were higher as the proportion of N supplied in the form of NH 4 + was

Molecular modelling of the decomposition of NH{sub 3} over CoO(100)

Energy Technology Data Exchange (ETDEWEB)

Shojaee, Kambiz; Haynes, Brian S.; Montoya, Alejandro, E-mail: alejandro.montoya@sydney.edu.au

2015-04-15

Spin-polarised density functional theory using the PBE + U approach are used to determine reaction pathways of successive NH{sub 3} dehydrogenation on the CoO(100) surface. NH{sub 3} dehydrogenation promotes noticeable displacements of the surface CoO sites, in particular due to the binding of NH{sub 2} and H species. Surface lattice O has low activity towards dehydrogenation, reflected in energy barriers that are in the range of 292 kJ mol{sup −1} to 328 kJ mol{sup −1}. There is a preference of surface NH{sub 3} dehydrogenation to N{sub 2} rather than towards NO, due to a high-energy penalty of surface O vacancy formation. The presence of CoO in cobalt oxide catalysts not only may decline the ammonia conversion but also alter the selectivity towards N{sub 2} rather than NO. - Highlights: • Minimum reactions pathways of ammonia decomposition were studied using density functional theory. • The bonding characteristics of NH{sub x} and H on the CoO(100) surface were analysed using Layer-projected density of states. • Dehydrogenations of NH{sub 3}, NH{sub 2} and NH are highly activated. • The presence of strongly bound lattice oxygen favours the ammonia decomposition towards N{sub 2}.

Chemical and electrical properties of (NH4)2S passivated GaSb surface

International Nuclear Information System (INIS)

Tao Dongyan; Cheng Yu; Liu Jingming; Su Jie; Liu Tong; Yang Fengyun; Wang Fenghua; Cao Kewei; Dong Zhiyuan; Zhao Youwen

2015-01-01

The surface chemical properties of gallium antimonide (GaSb) after ammonium sulfide ((NH 4 ) 2 S) solution passivation have been studied by X-ray photoelectron spectroscopy (XPS), time of flight secondary ion mass spectroscopy (TOF-SIMS) and I–V measurement. An advantage of neutral (NH 4 ) 2 S + S solution over pure (NH 4 ) 2 S solution and alkaline (NH 4 ) 2 S + S solution has been found in the ability to passivate the GaSb surface by contrast and comparison. It has been found that alkaline (NH 4 ) 2 S + S solution passivation effectively removes oxides of the GaSb surface and forms sulfide products to improve device performance. TOF-SIMS complementally demonstrates that pure (NH 4 ) 2 S passivation did form sulfide products, which are too soluble to really exist. The lowest roughness determined using a 3D optical profilometer and the highest improved SBD quality proved that neutral (NH 4 ) 2 S + S solution passivation worked much better in improving the surface properties of GaSb. (paper)

Synthesis and structure of [(NH2)2CSSC(NH2)2]2[OsBr6]Br2 . 3H2O

International Nuclear Information System (INIS)

Rudnitskaya, O. V.; Kultyshkina, E. K.; Stash, A. I.; Glukhova, A. A.; Venskovskii, N. U.

2008-01-01

The complex [(NH 2 ) 2 CSSC(NH 2 ) 2 ] 2 [OsBr 6 ]Br 2 . 3H 2 O is synthesized by the reaction of K 2 OsBr 6 with thiocarbamide in concentrated HBr and characterized using electronic absorption and IR absorption spectroscopy. Its crystal structure is determined by X-ray diffraction. The crystals are orthorhombic, a = 11.730(2) A, b = 14.052(3) A, c = 16.994(3) A, space group Cmcm, and Z = 4. The [OsBr 6 ] 2- anionic complex has an octahedral structure. The Os-Br distances fall in the range 2.483-2.490 A. The α,α'-dithiobisformamidinium cation is a product of the oxidation of thiocarbamide. The S-S and C-S distances are 2.016 and 1.784 A, respectively. The H 2 O molecules, Br - ions, and NH 2 groups of the cation are linked by hydrogen bonds.

Refinement of hydrogen positions in (NH4)2SeO4

International Nuclear Information System (INIS)

Loose, A.; Mel'nik, G.; Zink, N.; Wozniak, K.; Dominiak, P.; Smirnov, L.S.; Pawlukojc, A.; Shuvalov, L.A.

2005-01-01

The crystal structure of ammonium selenate has been studied by means of single crystal X-ray and neutron diffraction with the purpose of the refinement of hydrogen positions. The refined hydrogen positions obtained by single crystal neutron diffraction show that N-H bond lengths form a regular tetrahedron in an ammonium ion. The single crystal X-ray diffraction data show that N-H bond lengths are shorter than those obtained by neutron diffraction and are not equal between themselves. Thus, the comparison of the results of X-ray and neutron diffraction allows one to suggest that the shorter N-H bond lengths by X-ray diffraction reflect the distribution of the electron charge density of ammonium ions within the (NH 4 ) 2 SeO 4 crystal lattice

Excitonic Order and Superconductivity in the Two-Orbital Hubbard Model: Variational Cluster Approach

Science.gov (United States)

Fujiuchi, Ryo; Sugimoto, Koudai; Ohta, Yukinori

2018-06-01

Using the variational cluster approach based on the self-energy functional theory, we study the possible occurrence of excitonic order and superconductivity in the two-orbital Hubbard model with intra- and inter-orbital Coulomb interactions. It is known that an antiferromagnetic Mott insulator state appears in the regime of strong intra-orbital interaction, a band insulator state appears in the regime of strong inter-orbital interaction, and an excitonic insulator state appears between them. In addition to these states, we find that the s±-wave superconducting state appears in the small-correlation regime, and the dx2 - y2-wave superconducting state appears on the boundary of the antiferromagnetic Mott insulator state. We calculate the single-particle spectral function of the model and compare the band gap formation due to the superconducting and excitonic orders.

Simulated and observed 2010 floodwater elevations in selected river reaches in the Pawtuxet River Basin, Rhode Island

Science.gov (United States)

Zarriello, Phillip J.; Olson, Scott A.; Flynn, Robert H.; Strauch, Kellan R.; Murphy, Elizabeth A.

2014-01-01

Heavy, persistent rains from late February through March 2010 caused severe flooding that set, or nearly set, peaks of record for streamflows and water levels at many long-term streamgages in Rhode Island. In response to this event, hydraulic models were updated for selected reaches covering about 56 river miles in the Pawtuxet River Basin to simulate water-surface elevations (WSEs) at specified flows and boundary conditions. Reaches modeled included the main stem of the Pawtuxet River, the North and South Branches of the Pawtuxet River, Pocasset River, Simmons Brook, Dry Brook, Meshanticut Brook, Furnace Hill Brook, Flat River, Quidneck Brook, and two unnamed tributaries referred to as South Branch Pawtuxet River Tributary A1 and Tributary A2. All the hydraulic models were updated to Hydrologic Engineering Center-River Analysis System (HEC-RAS) version 4.1.0 using steady-state simulations. Updates to the models included incorporation of new field-survey data at structures, high resolution land-surface elevation data, and updated flood flows from a related study. The models were assessed using high-water marks (HWMs) obtained in a related study following the March– April 2010 flood and the simulated water levels at the 0.2-percent annual exceedance probability (AEP), which is the estimated AEP of the 2010 flood in the basin. HWMs were obtained at 110 sites along the main stem of the Pawtuxet River, the North and South Branches of the Pawtuxet River, Pocasset River, Simmons Brook, Furnace Hill Brook, Flat River, and Quidneck Brook. Differences between the 2010 HWM elevations and the simulated 0.2-percent AEP WSEs from flood insurance studies (FISs) and the updated models developed in this study varied with most differences attributed to the magnitude of the 0.2-percent AEP flows. WSEs from the updated models generally are in closer agreement with the observed 2010 HWMs than with the FIS WSEs. The improved agreement of the updated simulated water elevations to

Ising tricriticality in the extended Hubbard model with bond dimerization

Science.gov (United States)

Fehske, Holger; Ejima, Satoshi; Lange, Florian; Essler, Fabian H. L.

We explore the quantum phase transition between Peierls and charge-density-wave insulating states in the one-dimensional, half-filled, extended Hubbard model with explicit bond dimerization. We show that the critical line of the continuous Ising transition terminates at a tricritical point, belonging to the universality class of the tricritical Ising model with central charge c=7/10. Above this point, the quantum phase transition becomes first order. Employing a numerical matrix-product-state based (infinite) density-matrix renormalization group method we determine the ground-state phase diagram, the spin and two-particle charge excitations gaps, and the entanglement properties of the model with high precision. Performing a bosonization analysis we can derive a field description of the transition region in terms of a triple sine-Gordon model. This allows us to derive field theory predictions for the power-law (exponential) decay of the density-density (spin-spin) and bond-order-wave correlation functions, which are found to be in excellent agreement with our numerical results. This work was supported by Deutsche Forschungsgemeinschaft (Germany), SFB 652, project B5, and by the EPSRC under Grant No. EP/N01930X/1 (FHLE).

ACIDIFICATION TRENDS AND THE EVOLUTION OF NEUTRALIZATION MECHANISMS THROUGH TIME AT THE BEAR BROOK WATERSHED IN MAINE (BBWM), U.S.A.

Science.gov (United States)

The paired catchment study at the forested Bear Brook Watershed in Maine (BBWM) U.S.A. documents interactions among short- to long-term processes of acidification. In 1987-1989, runoff from the two catchments was nearly identical in quality and quantity. Ammonium sulfate has been...

Kinetics of 15NH4+ assimilation in Zea mays

International Nuclear Information System (INIS)

Magalhaes, J.R.; Ju, G.C.; Rich, P.J.; Rhodes, D.

1990-01-01

Comparative studies of 15 NH 4 + assimilation were undertaken with a GDH1-null mutant of Zea mays and a related (but not strictly isogenic) GDH1-positive wild type from which this mutant was derived. The kinetics of 15 NH 4 + assimilation into free amino acids and total reduced nitrogen were monitored in both roots and shoots of 2-week-old seedlings supplied with 5 millimolar 99% ( 15 NH 4 ) 2 SO 4 via the aerated root medium in hydroponic culture over a 24-h period. The GDH1-null mutant, with a 10- to 15-fold lower total root GDH activity in comparison to the wild type, was found to exhibit a 40 to 50% lower rate of 15 NH 4 + assimilation into total reduced nitrogen. The lower rates of 15 NH 4 + assimilation in the mutant was associated with lower rates of labeling of several free amino acids (including glutamate, glutamine-amino N, aspartate, asparagine-amino N, and alanine) in both roots and shoots of the mutant in comparison to the wild type. Qualitatively, these labeling kinetics appear consistent with a reduced flux of 15 N via glutamate in the GDH1-null mutant. However, the responses of the two genotypes to the potent inhibitor of glutamine synthetase, methionine sulfoximine, and differences in morphology of the two genotypes (particularly a lower shoot:root ratio in the GDH1-null mutant) urge caution in concluding that GDH1 is solely responsible for these differences in ammonia assimilation rate

Temperature selection of goldfish (Carassius auratus L. ) and brook trout (Salvelinus fontinalis Mitch. ) after heterogeneous temperature acclimation

Energy Technology Data Exchange (ETDEWEB)

Mueller, R.

1977-01-01

Goldfish and brook trout were acclimated heterogeneously to temperature by exposing the head and tail simultaneously to different temperatures. The temperature selection of heterogeneously acclimated fish was tested in a vertical temperature gradient and compared to that of homogeneously acclimated fish. All fish selected temperatures essentially corresponding to the state of acclimation of their head. It is concluded that the brain acts as the main control of temperature selection in fish.

Entanglement of Exact Excited Eigenstates of the Hubbard Model in Arbitrary Dimension

Directory of Open Access Journals (Sweden)

Oskar Vafek, Nicolas Regnault, B. Andrei Bernevig

2017-12-01

Full Text Available We compute exactly the von Neumann entanglement entropy of the eta-pairing states - a large set of exact excited eigenstates of the Hubbard Hamiltonian. For the singlet eta-pairing states the entropy scales with the logarithm of the spatial dimension of the (smaller partition. For the eta-pairing states with finite spin magnetization density, the leading term can scale as the volume or as the area-times-log, depending on the momentum space occupation of the Fermions with flipped spins. We also compute the corrections to the leading scaling. In order to study the eigenstate thermalization hypothesis (ETH, we also compute the entanglement Renyi entropies of such states and compare them with the corresponding entropies of thermal density matrix in various ensembles. Such states, which we find violate strong ETH, may provide a useful platform for a detailed study of the time-dependence of the onset of thermalization due to perturbations which violate the total pseudospin conservation.

Des proprietes de l'etat normal du modele de Hubbard bidimensionnel

Science.gov (United States)

Lemay, Francois

Depuis leur decouverte, les etudes experimentales ont demontre que les supra-conducteurs a haute temperature ont une phase normale tres etrange. Les proprietes de ces materiaux ne sont pas bien decrites par la theorie du liquide de Fermi. Le modele de Hubbard bidimensionnel, bien qu'il ne soit pas encore resolu, est toujours considere comme un candidat pour expliquer la physique de ces composes. Dans cet ouvrage, nous mettons en evidence plusieurs proprietes electroniques du modele qui sont incompatibles avec l'existence de quasi-particules. Nous montrons notamment que la susceptibilite des electrons libres sur reseau contient des singularites logarithmiques qui influencent de facon determinante les proprietes de la self-energie a basse frequence. Ces singularites sont responsables de la destruction des quasi-particules. En l'absence de fluctuations antiferromagnetiques, elles sont aussi responsables de l'existence d'un petit pseudogap dans le poids spectral au niveau de Fermi. Les proprietes du modele sont egalement etudiees pour une surface de Fermi similaire a celle des supraconducteurs a haute temperature. Un parallele est etabli entre certaines caracteristiques du modele et celles de ces materiaux.

Charge-spin-orbital dynamics of one-dimensional two-orbital Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Onishi, Hiroaki [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan)

2010-01-15

We study the real-time evolution of a charge-excited state in a one-dimensional e{sub g}-orbital degenerate Hubbard model, by a time-dependent density-matrix renormalization group method. Considering a chain along the z direction, electrons hop between adjacent 3z{sup 2}-r{sup 2} orbitals, while x{sup 2}-y{sup 2} orbitals are localized. For the charge-excited state, a holon-doublon pair is introduced into the ground state at quarter filling. At initial time, there is no electron in a holon site, while a pair of electrons occupies 3z{sup 2}-r{sup 2} orbital in a doublon site. As the time evolves, the holon motion is governed by the nearest-neighbor hopping, but the electron pair can transfer between 3z{sup 2}-r{sup 2} orbital and x{sup 2}-y{sup 2} orbital through the pair hopping in addition to the nearest-neighbor hopping. Thus holon and doublon propagate at different speed due to the pair hopping that is characteristic of multi-orbital systems.

Variational study of the stability of the Nagaoka state against single-spin flips in the two-dimensional t-t#prime# Hubbard model

International Nuclear Information System (INIS)

Bajdich, M.; Hlubina, R.

2001-01-01

Making use of variational wave functions of the Basile-Elser type we study the stability of the Nagaoka state against single-spin flips in the two-dimensional t-t#prime# Hubbard model for t#prime#/t∼0.5. In the low-density limit the variational estimate of the stability region of the Nagaoka state is in qualitative agreement with the predictions of the T-matrix approximation

On Conceptual Metaphor and the Flora and Fauna of Mind: Commentary on Brookes and Etkina; and Jeppsson, Haglund, and Amin

Science.gov (United States)

Sherin, Bruce

2015-01-01

In this commentary, the author presents his thoughts on two papers appearing in this special issue. The first, "The Importance of Language in Students' Reasoning about Heat in Thermodynamic Processes," by David T. Brookes and Eugenia Etkina (See: EJ1060728), and the second, "Varying Use of Conceptual Metaphors Across Levels of…

Algebraic approach to q-deformed supersymmetric variants of the Hubbard model with pair hoppings

International Nuclear Information System (INIS)

Arnaudon, D.

1997-01-01

Two quantum spin chains Hamiltonians with quantum sl(2/1) invariance are constructed. These spin chains define variants of the Hubbard model and describe electron models with pair hoppings. A cubic algebra that admits the Birman-Wenzl-Murakami algebra as a quotient allows exact solvability of the periodic chain. The two Hamiltonians, respectively built using the distinguished and the fermionic bases of U q (sl(2/1)) differ only in the boundary terms. They are actually equivalent, but the equivalence is non local. Reflection equations are solved to get exact solvability on open chains with non trivial boundary conditions. Two families of diagonal solutions are found. The centre and the s-Casimir of the quantum enveloping algebra of sl(2/1) appear as tools for the construction of exactly solvable Hamiltonians. (author)

NH4SH and cloud cover in the atmospheres of the giant planets

Science.gov (United States)

Ibragimov, K. Iu.; Solodovnik, A. A.

1991-02-01

The probability of the formation of NH4SH and (NH4)2S is examined on the basis of the Le Chatelier principle. It is shown that it is very doubtful if NH4SH can be created in the atmospheres of the giant planets in quantities sufficient for cloud formation. Thus (NH4)2S is considered as a more likely candidate for cloud formation in the atmospheres of these planets, inasmuch as the conditions for its production there are more favorable.

Pressure induced polymorphism in ammonium azide (NH{sub 4}N{sub 3})