Accurate adiabatic energy surfaces for the ground and first excited states of He2+
International Nuclear Information System (INIS)
Lee, E.P.F.
1993-01-01
Different factors affecting the accuracy of the computed energy surfaces of the ground and first excited state of He 2 + have been examined, including the choice of the one-and many-particle bases, the configurational space in the MRCI (multi-reference configuration interaction) calculations and other corrections such as the Davidson and the full counterpoise (CP) correction. From basis-variation studies, it was concluded that multi-reference direct-CI calculations (MRDCI) using CASSCF MOs and/or natural orbitals (NOs) from a smaller CISD calculation, gave results close to full CI. The computed dissociation energies, D e , for the ground and first excited state of He 2 + were 2.4670 (2.4659) eV and 17.2 (17.1) cm -1 , respectively, at the highest level [without and with CP correction for basis-set superposition errors (BSSE)] of calculation with an [11s8p3d1f] GTO contraction, in reasonably good agreement with previous calculations, and estimated correct values, where available. It is believed that the computed D e , and the energy surface for the first excited state should be reasonably accurate. However, for the ground state, the effects of multiple f functions and/or functions of higher angular momentum have not been investigated owing to limitation of the available computing resources. This is probably the only weakness is the present study. (Author)
Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo
2012-11-13
The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.
Global potential energy surface of ground state singlet spin O4
Mankodi, Tapan K.; Bhandarkar, Upendra V.; Puranik, Bhalchandra P.
2018-02-01
A new global potential energy for the singlet spin state O4 system is reported using CASPT2/aug-cc-pVTZ ab initio calculations. The geometries for the six-dimensional surface are constructed using a novel point generation scheme that employs randomly generated configurations based on the beta distribution. The advantage of this scheme is apparent in the reduction of the number of required geometries for a reasonably accurate potential energy surface (PES) and the consequent decrease in the overall computational effort. The reported surface matches well with the recently published singlet surface by Paukku et al. [J. Chem. Phys. 147, 034301 (2017)]. In addition to the O4 PES, the ground state N4 PES is also constructed using the point generation scheme and compared with the existing PES [Y. Paukku et al., J. Chem. Phys. 139, 044309 (2013)]. The singlet surface is constructed with the aim of studying high energy O2-O2 collisions and predicting collision induced dissociation cross section to be used in simulating non-equilibrium aerothermodynamic flows.
Li, D.; Kong, M. G.; Britun, N.; Snyders, R.; Leys, C.; Nikiforov, A.
2017-06-01
The generation of atomic oxygen in an array of surface micro-discharge, working in atmospheric pressure He/O2 or Ar/O2 mixtures, is investigated. The absolute atomic oxygen density and its temporal and spatial dynamics are studied by means of two-photon absorption laser-induced fluorescence. A high density of atomic oxygen is detected in the He/O2 mixture with up to 10% O2 content in the feed gas, whereas the atomic oxygen concentration in the Ar/O2 mixture stays below the detection limit of 1013 cm-3. The measured O density near the electrode under the optimal conditions in He/1.75% O2 gas is 4.26 × 1015 cm-3. The existence of the ground state O (2p 4 3 P) species has been proven in the discharge at a distance up to 12 mm away from the electrodes. Dissociative reactions of the singlet O2 with O3 and deep vacuum ultraviolet radiation, including the radiation of excimer \\text{He}2\\ast , are proposed to be responsible for O (2p 4 3 P) production in the far afterglow. A capability of the surface micro-discharge array delivering atomic oxygen to long distances over a large area is considered very interesting for various biomedical applications.
Li, Anyang; Guo, Hua; Sun, Zhigang; Kłos, Jacek; Alexander, Millard H
2013-10-07
The state-to-state reaction dynamics of the title reaction is investigated on the ground electronic state potential energy surface using two quantum dynamical methods. The results obtained using the Chebyshev real wave packet method are in excellent agreement with those obtained using the time-independent method, except at low translational energies. It is shown that this exothermic hydrogen abstraction reaction is direct, resulting in a strong back-scattered bias in the product angular distribution. The HF product is highly excited internally. Agreement with available experimental data is only qualitative. We discuss several possible causes of disagreement with experiment.
Friedrich, Manuel; Stefanelli, Ulisse
2018-06-01
Graphene is locally two-dimensional but not flat. Nanoscale ripples appear in suspended samples and rolling up often occurs when boundaries are not fixed. We address this variety of graphene geometries by classifying all ground-state deformations of the hexagonal lattice with respect to configurational energies including two- and three-body terms. As a consequence, we prove that all ground-state deformations are either periodic in one direction, as in the case of ripples, or rolled up, as in the case of nanotubes.
International Nuclear Information System (INIS)
Negele, J.W.
1975-01-01
The nuclear ground state is surveyed theoretically, and specific suggestions are given on how to critically test the theory experimentally. Detailed results on 208 Pb are discussed, isolating several features of the charge density distributions. Analyses of 208 Pb electron scattering and muonic data are also considered. 14 figures
Singlet Ground State Magnetism:
DEFF Research Database (Denmark)
Loidl, A.; Knorr, K.; Kjems, Jørgen
1979-01-01
The magneticGamma 1 –Gamma 4 exciton of the singlet ground state system TbP has been studied by inelastic neutron scattering above the antiferromagnetic ordering temperature. Considerable dispersion and a pronounced splitting was found in the [100] and [110] directions. Both the band width...
International Nuclear Information System (INIS)
Wei, Jie; Li, Xiao-Ping; Sessler, A.M.
1993-01-01
In order to employ Molecular Dynamics method, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations has been performed to obtain the equilibrium structure. The effects of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time-dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Rahman and Schiffer, depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing
International Nuclear Information System (INIS)
Wei, Jie; Li, Xiao-Ping
1993-01-01
In order to employ molecular dynamics (MD) methods, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations using MD methods has been performed to obtain the equilibrium crystalline beam structure. The effect of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Schiffer et al. depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing
International Nuclear Information System (INIS)
Wei, J.; Li, X.P.
1993-01-01
In order to employ the Molecular Dynamics method, commonly used in condensed matter physics, the authors have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. They include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations has been performed to obtain the equilibrium structure. The effects of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time-dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Rahman and Schiffer, depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing
Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon
2015-06-01
Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields.
DEFF Research Database (Denmark)
Cybulski, Hubert; Fernandez, Berta; Henriksen, Christian
2012-01-01
to the axis perpendicular to the phenylacetylene plane and containing the center of mass. The calculated interaction energy is -418.9 cm(-1). To check further the potential, we obtain the rovibrational spectrum of the complex and the results are compared to the available experimental data. (C) 2012 American......We evaluate the phenylacetylene-argon intermolecular potential energy surface by fitting a representative number of ab initio interaction energies to an analytic function. These energies are calculated at a grid of intermolecular geometries, using the CCSD(T) method and the aug-cc-pVDZ basis set...... extended with a series of 3s3p2d1flg midbond functions. The potential is characterized by two equivalent global minima where the Ar atom is located above and below the phenylacetylene plane at a distance of 3.5781 angstrom from the molecular center of mass and at an angle of 9.08 degrees with respect...
Saltiel, J; Dmitrenko, O; Pillai, Z S; Klima, R; Wang, S; Wharton, T; Huang, Z-N; van de Burgt, L J; Arranz, J
2008-05-01
Relative energies of the ground state isomers of 1,4-diphenyl-1,3-butadiene (DPB) are determined from the temperature dependence of equilibrium isomer compositions obtained with the use of diphenyl diselenide as catalyst. Temperature and concentration effects on photostationary states and isomerization quantum yields with biacetyl or fluorenone as triplet sensitizers with or without the presence of O(2), lead to significant modification of the proposed DPB triplet potential energy surface. Quantum yields for ct-DPB formation from tt-DPB increase with [tt-DPB] revealing a quantum chain process in the tt --> ct direction, as had been observed for the ct --> tt direction, and suggesting an energy minimum at the (3)ct* geometry. They confirm the presence of planar and twisted isomeric triplets in equilibrium (K), with energy transfer from planar or quasi-planar geometries (quantum chain events from tt and ct triplets) and unimolecular decay (k(d)) from twisted geometries. Starting from cc-DPB, varphi(cc-->tt) increases with increasing [cc-DPB] whereas varphi(cc-->ct) is relatively insensitive to concentration changes. The concentration and temperature dependencies of the decay rate constants of DPB triplets in cyclohexane are consistent with the mechanism deduced from the photoisomerization quantum yields. The experimental DeltaH between (3)tt-DPB* and (3)tp-DPB*, 2.7 kcal mol(-1), is compared with the calculated energy difference [DFT with B3LYP/6-31+G(d,p) basis set]. Use of the calculated DeltaS = 4.04 eu between the two triplets gives k(d) = (2.4-6.4) x 10(7) s(-1), close to 1.70 x 10(7) s(-1), the value for twisted stilbene triplet decay. Experimental and calculated relative energies of DPB isomers on the ground and triplet state surfaces agree and theory is relied upon to deduce structural characteristics of the equilibrated conformers in the DPB triplet state.
Elder, K. R.; Achim, C. V.; Granato, E.; Ying, S. C.; Ala-Nissila, T.
2017-11-01
Atomistically thin adsorbate layers on surfaces with a lattice mismatch display complex spatial patterns and ordering due to strain-driven self-organization. In this work, a general formalism to model such ultrathin adsorption layers that properly takes into account the competition between strain and adhesion energy of the layers is presented. The model is based on the amplitude expansion of the two-dimensional phase field crystal (PFC) model, which retains atomistic length scales but allows relaxation of the layers at diffusive time scales. The specific systems considered here include cases where both the film and the adsorption potential can have either honeycomb (H) or triangular (T) symmetry. These systems include the so-called (1 ×1 ) , (√{3 }×√{3 }) R 30∘ , (2 ×2 ) , (√{7 }×√{7 }) R 19 .1∘ , and other higher order states that can contain a multitude of degenerate commensurate ground states. The relevant phase diagrams for many combinations of the H and T systems are mapped out as a function of adhesion strength and misfit strain. The coarsening patterns in some of these systems is also examined. The predictions are in good agreement with existing experimental data for selected strained ultrathin adsorption layers.
International Nuclear Information System (INIS)
Petit, Andrew S.; Subotnik, Joseph E.
2014-01-01
In this paper, we develop a surface hopping approach for calculating linear absorption spectra using ensembles of classical trajectories propagated on both the ground and excited potential energy surfaces. We demonstrate that our method allows the dipole-dipole correlation function to be determined exactly for the model problem of two shifted, uncoupled harmonic potentials with the same harmonic frequency. For systems where nonadiabatic dynamics and electronic relaxation are present, preliminary results show that our method produces spectra in better agreement with the results of exact quantum dynamics calculations than spectra obtained using the standard ground-state Kubo formalism. As such, our proposed surface hopping approach should find immediate use for modeling condensed phase spectra, especially for expensive calculations using ab initio potential energy surfaces
Li, Hou-Kuan; Tsai, Po-Yu; Hung, Kai-Chan; Kasai, Toshio; Lin, King-Chuen
2015-01-01
Following photodissociation of acetaldehyde (CH3CHO) at 308 nm, the CO(v = 1-4) fragment is acquired using time-resolved Fourier-transform infrared emission spectroscopy. The CO(v = 1) rotational distribution shows a bimodal feature; the low- and high-J components result from H-roaming around CH3CO core and CH3-roaming around CHO radical, respectively, in consistency with a recent assignment by Kable and co-workers (Lee et al., Chem. Sci. 5, 4633 (2014)). The H-roaming pathway disappears at the CO(v ≥ 2) states, because of insufficient available energy following bond-breaking of H + CH3CO. By analyzing the CH4 emission spectrum, we obtained a bimodal vibrational distribution; the low-energy component is ascribed to the transition state (TS) pathway, consistent with prediction by quasiclassical trajectory calculations, while the high-energy component results from H- and CH3-roamings. A branching fraction of H-roaming/CH3-roaming/TS contribution is evaluated to be (8% ± 3%)/(68% ± 10%)/(25% ± 5%), in which the TS pathway was observed for the first time. The three pathways proceed concomitantly along the electronic ground state surface.
Energy Technology Data Exchange (ETDEWEB)
Yurchenko, Sergei N. [Technische Universitaet Dresden, Institut fuer Physikalische Chemie und Elektrochemie, D-01062 Dresden (Germany); Thiel, Walter [Max-Planck-Institut fuer Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Muelheim an der Ruhr (Germany); Carvajal, Miguel [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Avenida de las Fuerzas Armadas s/n, Universidad de Huelva, E-21071 Huelva (Spain); Jensen, Per [Theoretische Chemie, Bergische Universitaet, D-42097 Wuppertal (Germany)], E-mail: jensen@uni-wuppertal.de
2008-05-04
We report the calculation of a six-dimensional CCSD(T)/aug-cc-pVQZ potential energy surface for the electronic ground state of NH{sub 3}{sup +} together with the corresponding CCSD(T)/aug-cc-pVTZ dipole moment and polarizability surface of {sup 14}NH{sub 3}{sup +}. These electronic properties have been computed on a large grid of molecular geometries. A number of newly calculated band centers are presented along with the associated electric-dipole transition moments. We further report the first calculation of vibrational matrix elements of the polarizability tensor components for {sup 14}NH{sub 3}{sup +}; these matrix elements determine the intensities of Raman transitions. In addition, the rovibrational absorption spectra of the {nu}{sub 2}, {nu}{sub 3}, {nu}{sub 4}, 2{nu}{sub 2}-{nu}{sub 2}, and {nu}{sub 2}+{nu}{sub 3}-{nu}{sub 2} bands have been simulated.
Ground states of quantum spin systems
International Nuclear Information System (INIS)
Bratteli, Ola; Kishimoto, Akitaka; Robinson, D.W.
1978-07-01
The authors prove that ground states of quantum spin systems are characterized by a principle of minimum local energy and that translationally invariant ground states are characterized by the principle of minimum energy per unit volume
Kłos, Jacek; Alexander, Millard H.; Kumar, Praveen; Poirier, Bill; Jiang, Bin; Guo, Hua
2016-05-01
We report new and more accurate adiabatic potential energy surfaces (PESs) for the ground X˜ 1A1 and electronically excited C˜ 1B2(21A') states of the SO2 molecule. Ab initio points are calculated using the explicitly correlated internally contracted multi-reference configuration interaction (icMRCI-F12) method. A second less accurate PES for the ground X ˜ state is also calculated using an explicitly correlated single-reference coupled-cluster method with single, double, and non-iterative triple excitations [CCSD(T)-F12]. With these new three-dimensional PESs, we determine energies of the vibrational bound states and compare these values to existing literature data and experiment.
Carter, Janet M.; Delzer, Gregory C.; Kingsbury, James A.; Hopple, Jessica A.
2007-01-01
The National Water-Quality Assessment Program of the U.S. Geological Survey began implementing Source Water-Quality Assessments (SWQAs) in 2001 that focus on characterizing the quality of source water and finished water of aquifers and major rivers used by some of the larger community water systems (CWSs) in the United States. As used for SWQA studies, source water is the raw (ambient) water collected at the supply well prior to water treatment (for ground water) or the raw (ambient) water collected from the river near the intake (for surface water), and finished water is the water that is treated and ready to be delivered to consumers. Finished water is collected before entering the distribution system. SWQA studies are conducted in two phases, and the objectives of SWQA studies are twofold: (1) to determine the occurrence and, for rivers, seasonal changes in concentrations of a broad list of anthropogenic organic compounds (AOCs) in aquifers and rivers that have some of the largest withdrawals for drinking-water supply (phase 1), and (2) for those AOCs found to occur most frequently in source water, characterize the extent to which these compounds are present in finished water (phase 2). These objectives were met for SWQA studies by collecting ground-water and surface-water (source) samples and analyzing these samples for 258 AOCs during phase 1. Samples from a subset of wells and surface-water sites located in areas with substantial agricultural production in the watershed were analyzed for 19 additional AOCs, for a total of 277 compounds analyzed for SWQA studies. The 277 compounds were classified according to the following 13 primary use or source groups: (1) disinfection by-products; (2) fumigant-related compounds; (3) fungicides; (4) gasoline hydrocarbons, oxygenates, and oxygenate degradates; (5) herbicides and herbicide degradates; (6) insecticides and insecticide degradates; (7) manufacturing additives; (8) organic synthesis compounds; (9) pavement- and
A Model Ground State of Polyampholytes
International Nuclear Information System (INIS)
Wofling, S.; Kantor, Y.
1998-01-01
The ground state of randomly charged polyampholytes (polymers with positive and negatively charged groups along their backbone) is conjectured to have a structure similar to a necklace, made of weakly charged parts of the chain, compacting into globules, connected by highly charged stretched 'strings' attempted to quantify the qualitative necklace model, by suggesting a zero approximation model, in which the longest neutral segment of the polyampholyte forms a globule, while the remaining part will form a tail. Expanding this approximation, we suggest a specific necklace-type structure for the ground state of randomly charged polyampholyte's, where all the neutral parts of the chain compact into globules: The longest neutral segment compacts into a globule; in the remaining part of the chain, the longest neutral segment (the second longest neutral segment) compacts into a globule, then the third, and so on. A random sequence of charges is equivalent to a random walk, and a neutral segment is equivalent to a loop inside the random walk. We use analytical and Monte Carlo methods to investigate the size distribution of loops in a one-dimensional random walk. We show that the length of the nth longest neutral segment in a sequence of N monomers (or equivalently, the nth longest loop in a random walk of N steps) is proportional to N/n 2 , while the mean number of neutral segments increases as √N. The polyampholytes in the ground state within our model is found to have an average linear size proportional to dN, and an average surface area proportional to N 2/3
Search for the QCD ground state
International Nuclear Information System (INIS)
Reuter, M.; Wetterich, C.
1994-05-01
Within the Euclidean effective action approach we propose criteria for the ground state of QCD. Despite a nonvanishing field strength the ground state should be invariant with respect to modified Poincare transformations consisting of a combination of translations and rotations with suitable gauge transformations. We have found candidate states for QCD with four or more colours. The formation of gluon condensates shows similarities with the Higgs phenomenon. (orig.)
Ground penetrating radar system and method for detecting an object on or below a ground surface
De Jongth, R.; Yarovoy, A.; Schukin, A.
2001-01-01
Ground penetrating radar system for detecting objects (17) on or below a ground surface (18), comprising at least one transmit antenna (13) having a first foot print (14) at the ground surface, at least one receive antenna (15) having a second foot print (16) at the ground surface, and processing
Radionuclide transfer onto ground surface in surface water flow, 1
International Nuclear Information System (INIS)
Mukai, Masayuki; Takebe, Shinichi; Komiya, Tomokazu; Kamiyama, Hideo
1991-07-01
Radionuclides migration in ground surface water flow is considered to be one of the important path way in the scenario for environmental migration of radionuclides leaked from low level radioactive waste repository. Simulating the slightly sloped surface on which contaminated solution is flowing downward, testing for radionuclide migration on ground surface had been started. As it's first step, an experiment was carried out under the condition of restricted infiltration in order to elucidate the adsorption behavior of radionuclides onto the loamy soil surface in related with hydraulic conditions. Radionuclides concentration change in effluent solution with time and a concentration distribution of radionuclides adsorbed on the ground surface were obtained from several experimental conditions combining the rate and the duration time of the water flow. The radionuclides concentration in the effluent solution was nearly constant during each experimental period, and was reduced under the condition of lower flow rate. The surface distribution of radionuclides concentration showed two distinctive regions. The one was near the inlet vessel where the concentration was promptly reducing, and the other was following the former where the concentration was nearly constant. The characteristic surface distribution of radionuclides concentration can be explained by a two dimensional diffusion model with a first order adsorption reaction, based on the advection of flow rate distribution in perpendicular direction. (author)
Cavity optomechanics -- beyond the ground state
Meystre, Pierre
2011-05-01
The coupling of coherent optical systems to micromechanical devices, combined with breakthroughs in nanofabrication and in ultracold science, has opened up the exciting new field of cavity optomechanics. Cooling of the vibrational motion of a broad range on oscillating cantilevers and mirrors near their ground state has been demonstrated, and the ground state of at least one such system has now been reached. Cavity optomechanics offers much promise in addressing fundamental physics questions and in applications such as the detection of feeble forces and fields, or the coherent control of AMO systems and of nanoscale electromechanical devices. However, these applications require taking cavity optomechanics ``beyond the ground state.'' This includes the generation and detection of squeezed and other non-classical states, the transfer of squeezing between electromagnetic fields and motional quadratures, and the development of measurement schemes for the characterization of nanomechanical structures. The talk will present recent ``beyond ground state'' developments in cavity optomechanics. We will show how the magnetic coupling between a mechanical membrane and a BEC - or between a mechanical tuning fork and a nanoscale cantilever - permits to control and monitor the center-of-mass position of the mechanical system, and will comment on the measurement back-action on the membrane motion. We will also discuss of state transfer between optical and microwave fields and micromechanical devices. Work done in collaboration with Dan Goldbaum, Greg Phelps, Keith Schwab, Swati Singh, Steve Steinke, Mehmet Tesgin, and Mukund Vengallatore and supported by ARO, DARPA, NSF, and ONR.
Thermodynamic Ground States of Complex Oxide Heterointerfaces
DEFF Research Database (Denmark)
Gunkel, F.; Hoffmann-Eifert, S.; Heinen, R. A.
2017-01-01
The formation mechanism of 2-dimensional electron gases (2DEGs) at heterointerfaces between nominally insulating oxides is addressed with a thermodynamical approach. We provide a comprehensive analysis of the thermodynamic ground states of various 2DEG systems directly probed in high temperature...
Directory of Open Access Journals (Sweden)
Anyang Li
2012-01-01
Full Text Available Ab initio potential energy surfaces for the ground (X̃1A′ and excited (A˜A′′1 electronic states of HSiBr were obtained by using the single and double excitation coupled-cluster theory with a noniterative perturbation treatment of triple excitations and the multireference configuration interaction with Davidson correction, respectively, employing an augmented correlation-consistent polarized valence quadruple zeta basis set. The calculated vibrational energy levels of HSiBr and DSiBr of the ground and excited electronic states are in excellent agreement with the available experimental band origins. In addition, the absorption and emission spectra of HSiBr and DSiBr were calculated using an efficient single Lanczos propagation method and are in good agreement with the available experimental observations.
Rearrangements in ground and excited states
de Mayo, Paul
1980-01-01
Rearrangements in Ground and Excited States, Volume 3 presents essays on the chemical generation of excited states; the cis-trans isomerization of olefins; and the photochemical rearrangements in trienes. The book also includes essays on the zimmerman rearrangements; the photochemical rearrangements of enones; the photochemical rearrangements of conjugated cyclic dienones; and the rearrangements of the benzene ring. Essays on the photo rearrangements via biradicals of simple carbonyl compounds; the photochemical rearrangements involving three-membered rings or five-membered ring heterocycles;
Magnetic properties of singlet ground state systems
International Nuclear Information System (INIS)
Diederix, K.M.
1979-01-01
Experiments are described determining the properties of a magnetic system consisting of a singlet ground state. Cu(NO 3 ) 2 .2 1/2H 2 O has been studied which is a system of S = 1/2 alternating antiferromagnetic Heisenberg chains. The static properties, spin lattice relaxation time and field-induced antiferromagnetically ordered state measurements are presented. Susceptibility and magnetic cooling measurements of other compounds are summarised. (Auth.)
Trapping cold ground state argon atoms.
Edmunds, P D; Barker, P F
2014-10-31
We trap cold, ground state argon atoms in a deep optical dipole trap produced by a buildup cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of laser-cooled metastable argon atoms. Although the ground state atoms cannot be directly probed, we detect them by observing the collisional loss of cotrapped metastable argon atoms and determine an elastic cross section. Using a type of parametric loss spectroscopy we also determine the polarizability of the metastable 4s[3/2](2) state to be (7.3±1.1)×10(-39) C m(2)/V. Finally, Penning and associative losses of metastable atoms in the absence of light assisted collisions, are determined to be (3.3±0.8)×10(-10) cm(3) s(-1).
International Nuclear Information System (INIS)
Jaksic, V.; Last, Y.; California Inst. of Tech., Pasadena, CA
2001-01-01
Let Z + d+1 =Z d x Z + , let H 0 be the discrete Laplacian on the Hilbert space l 2 (Z + d+1 ) with a Dirichlet boundary condition, and let V be a potential supported on the boundary ∂Z + d+1 . We introduce the notions of surface states and surface spectrum of the operator H=H 0 +V and explore their properties. Our main result is that if the potential V is random and if the disorder is either large or small enough, then in dimension two H has no surface spectrum on σ(H 0 ) with probability one. To prove this result we combine Aizenman-Molchanov theory with techniques of scattering theory. (orig.)
RPA ground state correlations in nuclei
International Nuclear Information System (INIS)
Lenske, H.
1990-01-01
Overcounting in the RPA theory of ground state correlations is shown to be avoided if exact rather than quasiboson commutators are used. Single particle occupation probabilities are formulated in a compact way by the RPA Green function. Calculations with large configuration spaces and realistic interactions are performed with 1p1h RPA and second RPA (SRPA) including 2p2h mixing in excited states. In 41 Ca valence hole states are found to be quenched by about 10% in RPA and up to 18% in SRPA. Contributions from low and high lying excitations and their relation to long and short range correlations in finite nuclei are investigated. (orig.)
Rearrangements in ground and excited states
de Mayo, Paul
1980-01-01
Rearrangements in Ground and Excited States, Volume 2 covers essays on the theoretical approach of rearrangements; the rearrangements involving boron; and the molecular rearrangements of organosilicon compounds. The book also includes essays on the polytopal rearrangement at phosphorus; the rearrangement in coordination complexes; and the reversible thermal intramolecular rearrangements of metal carbonyls. Chemists and people involved in the study of rearrangements will find the book invaluable.
Ground state searches in fcc intermetallics
International Nuclear Information System (INIS)
Wolverton, C.; de Fontaine, D.; Ceder, G.; Dreysse, H.
1991-12-01
A cluster expansion is used to predict the fcc ground states, i.e., the stable phases at zero Kelvin as a function of composition, for alloy systems. The intermetallic structures are not assumed, but derived regorously by minimizing the configurational energy subject to linear constraints. This ground state search includes pair and multiplet interactions which spatially extend to fourth nearest neighbor. A large number of these concentration-independent interactions are computed by the method of direct configurational averaging using a linearized-muffin-tin orbital Hamiltonian cast into tight binding form (TB-LMTO). The interactions, derived without the use of any adjustable or experimentally obtained parameters, are compared to those calculated via the generalized perturbation method extention of the coherent potential approximation within the context of a KKR Hamiltonian (KKR-CPA-GPM). Agreement with the KKR-CPA-GPM results is quite excellent, as is the comparison of the ground state results with the fcc-based portions of the experimentally-determined phase diagrams under consideration
DEFF Research Database (Denmark)
Severin, Gregory; Knutson, L. D.; Voytas, P. A.
2014-01-01
The ground state branch of the β decay of 66Ga is an allowed Fermi (0+ → 0+) transition with a relatively high f t value. The large f t and the isospin-forbidden nature of the transition indicates that the shape of the β spectrum of this branch may be sensitive to higher order contributions...... to the decay. Two previous measurements of the shape have revealed deviations from an allowed spectrum but disagree about whether the shape factor has a positive or negative slope. As a test of a new iron-free superconducting β spectrometer, we have measured the shape of the ground state branch of the 66Ga β...... spectrum above a positron energy of 1.9 MeV. The spectrum is consistent with an allowed shape, with the slope of the shape factor being zero to within ±3 × 10−3 per MeV. We have also determined the endpoint energy for the ground state branch to be 4.1535 ± 0.0003 (stat.) ±0.0007 (syst.) MeV, in good...
Ground states of a spin-boson model
International Nuclear Information System (INIS)
Amann, A.
1991-01-01
Phase transition with respect to ground states of a spin-boson Hamiltonian are investigated. The spin-boson model under discussion consists of one spin and infinitely many bosons with a dipole-type coupling. It is shown that the order parameter of the model vanishes with respect to arbitrary ground states if it vanishes with respect to ground states obtained as (biased) temperature to zero limits of thermic equilibrium states. The ground states of the latter special type have been investigated by H. Spohn. Spohn's respective phase diagrams are therefore valid for arbitrary ground states. Furthermore, disjointness of ground states in the broken symmetry regime is examined
Regionalization of ground motion attenuation in the conterminous United States
International Nuclear Information System (INIS)
Chung, D.H.; Bernreuter, D.L.
1979-01-01
Attenuation results from geometric spreading and from absorption. The former is almost independent of crustal geology or physiographic region. The latter depends strongly on crustal geology and the state of the earth's upper mantle. Except for very high-frequency waves, absorption does not affect ground motion at distances less than 25 to 50 km. Thus, in the near-field zone, the attenuation in the eastern United States will be similar to that in the western United States. Most of the differences in ground motion can be accounted for by differences in attenuation caused by differences in absorption. The other important factor is that for some Western earthquakes the fault breaks the earth's surface, resulting in larger ground motion. No Eastern earthquakes are known to have broken the earth's surface by faulting. The stress drop of Eastern earthquakes may be higher than for Western earthquakes of the same seismic moment, which would affect the high-frequency spectral content. This factor is believed to be of much less significance than differences in absorption in explaining the differences in ground motion between the East and the West. 6 figures
Assessing ground compaction via time lapse surface wave analysis
Czech Academy of Sciences Publication Activity Database
Dal Moro, Giancarlo; Al-Arifi, N.; Moustafa, S.S.R.
2016-01-01
Roč. 13, č. 3 (2016), s. 249-256 ISSN 1214-9705 Institutional support: RVO:67985891 Keywords : Full velocity spectrum (FVS) analysis * ground compaction * ground compaction * phase velocities * Rayleigh waves * seismic data inversion * surface wave dispersion * surface waves Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 0.699, year: 2016
Surface reconstruction, figure-ground modulation, and border-ownership.
Jeurissen, Danique; Self, Matthew W; Roelfsema, Pieter R
2013-01-01
The Differentiation-Integration for Surface Completion (DISC) model aims to explain the reconstruction of visual surfaces. We find the model a valuable contribution to our understanding of figure-ground organization. We point out that, next to border-ownership, neurons in visual cortex code whether surface elements belong to a figure or the background and that this is influenced by attention. We furthermore suggest that there must be strong links between object recognition and figure-ground assignment in order to resolve the status of interior contours. Incorporation of these factors in neurocomputational models will further improve our understanding of surface reconstruction, figure-ground organization, and border-ownership.
Ground-state structures of Hafnium clusters
Energy Technology Data Exchange (ETDEWEB)
Ng, Wei Chun; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technoloty, Multimedia University, Melaca Campus, 75450 Melaka (Malaysia)
2015-04-24
Hafnium (Hf) is a very large tetra-valence d-block element which is able to form relatively long covalent bond. Researchers are interested to search for substitution to silicon in the semi-conductor industry. We attempt to obtain the ground-state structures of small Hf clusters at both empirical and density-functional theory (DFT) levels. For calculations at the empirical level, charge-optimized many-body functional potential (COMB) is used. The lowest-energy structures are obtained via a novel global-minimum search algorithm known as parallel tempering Monte-Carlo Basin-Hopping and Genetic Algorithm (PTMBHGA). The virtue of using COMB potential for Hf cluster calculation lies in the fact that by including the charge optimization at the valence shells, we can encourage the formation of proper bond hybridization, and thus getting the correct bond order. The obtained structures are further optimized using DFT to ensure a close proximity to the ground-state.
DEFF Research Database (Denmark)
Fernández, Berta; Henriksen, Christian; Farrelly, David
2013-01-01
A refined CCSD(T) intermolecular potential energy surface is developed for the He-C2H2 van der Waals complex. For this, 206 points on the intermolecular potential energy surface, evaluated using the CCSD(T) method and the aug-cc-pVQZ basis set extended with a set of 3s3p2d1f1g midbond functions...
Ground state of high-density matter
Copeland, ED; Kolb, Edward W.; Lee, Kimyeong
1988-01-01
It is shown that if an upper bound to the false vacuum energy of the electroweak Higgs potential is satisfied, the true ground state of high-density matter is not nuclear matter, or even strange-quark matter, but rather a non-topological soliton where the electroweak symmetry is exact and the fermions are massless. This possibility is examined in the standard SU(3) sub C tensor product SU(2) sub L tensor product U(1) sub Y model. The bound to the false vacuum energy is satisfied only for a narrow range of the Higgs boson masses in the minimal electroweak model (within about 10 eV of its minimum allowed value of 6.6 GeV) and a somewhat wider range for electroweak models with a non-minimal Higgs sector.
Guidelines for ground motion definition for the eastern United States
International Nuclear Information System (INIS)
Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.
1985-06-01
Guidelines for the determination of earthquake ground motion definition for the eastern United States are established here. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large- to great-sized earthquakes (M/sub s/ > 7.5) have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes has been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data have been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data, a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the safe shutdown earthquake (SSE). A new procedure for establishing the operating basis earthquake (OBE) is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors. 17 refs., figs., tabs
Is the ground state of Yang-Mills theory Coulombic?
Heinzl, Thomas; Ilderton, Anton; Langfeld, Kurt; Lavelle, Martin; Lutz, Wolfgang; McMullan, David
2008-01-01
We study trial states modelling the heavy quark-antiquark ground state in SU(2) Yang-Mills theory. A state describing the flux tube between quarks as a thin string of glue is found to be a poor description of the continuum ground state; the infinitesimal thickness of the string leads to UV artifacts which suppress the overlap with the ground state. Contrastingly, a state which surrounds the quarks with non-abelian Coulomb fields is found to have a good overlap with the ground state for all ch...
Coherent states and rational surfaces
International Nuclear Information System (INIS)
Brody, Dorje C; Graefe, Eva-Maria
2010-01-01
The state spaces of generalized coherent states associated with special unitary groups are shown to form rational curves and surfaces in the space of pure states. These curves and surfaces are generated by the various Veronese embeddings of the underlying state space into higher dimensional state spaces. This construction is applied to the parameterization of generalized coherent states, which is useful for practical calculations, and provides an elementary combinatorial approach to the geometry of the coherent state space. The results are extended to Hilbert spaces with indefinite inner products, leading to the introduction of a new kind of generalized coherent states.
Polyfluorinated chemicals in European surface waters, ground- and drinking waters
Eschauzier, C.; de Voogt, P.; Brauch, H.-J.; Lange, F.T.; Knepper, T.P.; Lange, F.T.
2012-01-01
Polyfluorinated chemicals (PFCs), especially short chain fluorinated alkyl sulfonates and carboxylates, are ubiquitously found in the environment. This chapter aims at giving an overview of PFC concentrations found in European surface, ground- and drinking waters and their behavior during
Digital Modeling Phenomenon Of Surface Ground Movement
Directory of Open Access Journals (Sweden)
Ioan Voina
2016-11-01
Full Text Available With the development of specialized software applications it was possible to approach and resolve complex problems concerning automating and process optimization for which are being used field data. Computerized representation of the shape and dimensions of the Earth requires a detailed mathematical modeling, known as "digital terrain model". The paper aims to present the digital terrain model of Vulcan mining, Hunedoara County, Romania. Modeling consists of a set of mathematical equations that define in detail the surface of Earth and has an approximate surface rigorously and mathematical, that calculated the land area. Therefore, the digital terrain model means a digital representation of the earth's surface through a mathematical model that approximates the land surface modeling, which can be used in various civil and industrial applications in. To achieve the digital terrain model of data recorded using linear and nonlinear interpolation method based on point survey which highlights the natural surface studied. Given the complexity of this work it is absolutely necessary to know in detail of all topographic elements of work area, without the actions to be undertaken to project and manipulate would not be possible. To achieve digital terrain model, within a specialized software were set appropriate parameters required to achieve this case study. After performing all steps we obtained digital terrain model of Vulcan Mine. Digital terrain model is the complex product, which has characteristics that are equivalent to the specialists that use satellite images and information stored in a digital model, this is easier to use.
Ground surface temperature and continental heat gain: uncertainties from underground
International Nuclear Information System (INIS)
Beltrami, Hugo; Matharoo, Gurpreet S; Smerdon, Jason E
2015-01-01
Temperature changes at the Earth's surface propagate and are recorded underground as perturbations to the equilibrium thermal regime associated with the heat flow from the Earth's interior. Borehole climatology is concerned with the analysis and interpretation of these downward propagating subsurface temperature anomalies in terms of surface climate. Proper determination of the steady-state geothermal regime is therefore crucial because it is the reference against which climate-induced subsurface temperature anomalies are estimated. Here, we examine the effects of data noise on the determination of the steady-state geothermal regime of the subsurface and the subsequent impact on estimates of ground surface temperature (GST) history and heat gain. We carry out a series of Monte Carlo experiments using 1000 Gaussian noise realizations and depth sections of 100 and 200 m as for steady-state estimates depth intervals, as well as a range of data sampling intervals from 10 m to 0.02 m. Results indicate that typical uncertainties for 50 year averages are on the order of ±0.02 K for the most recent 100 year period. These uncertainties grow with decreasing sampling intervals, reaching about ±0.1 K for a 10 m sampling interval under identical conditions and target period. Uncertainties increase for progressively older periods, reaching ±0.3 K at 500 years before present for a 10 m sampling interval. The uncertainties in reconstructed GST histories for the Northern Hemisphere for the most recent 50 year period can reach a maximum of ±0.5 K in some areas. We suggest that continuous logging should be the preferred approach when measuring geothermal data for climate reconstructions, and that for those using the International Heat Flow Commission database for borehole climatology, the steady-state thermal conditions should be estimated from boreholes as deep as possible and using a large fitting depth range (∼100 m). (letter)
Impedance of Surface Footings on Layered Ground
DEFF Research Database (Denmark)
Andersen, Lars; Clausen, Johan Christian
2005-01-01
is discussed. Based on the Green's function for a stratified half-space, the impedance of a surface footing with arbitrary shape is computed. A wind turbine foundation is analysed in the frequency range 0 to 3 Hz. Analyses show that soil stratification may lead to a significant changes in the impedance related...
Impedance of Surface Footings on Layered Ground
DEFF Research Database (Denmark)
Andersen, Lars; Clausen, Johan
2008-01-01
is discussed. Based on the Green's function for a stratified half-space, the impedance of a surface footing with arbitrary shape is computed. A wind turbine foundation is analysed in the frequency range 0-3 Hz. Analyses show that soil stratification may lead to significant changes in the impedance related...
Evaluation of ground stiffness parameters using continuous surface wave geophysics
DEFF Research Database (Denmark)
Gordon, Anne; Foged, Niels
2000-01-01
Present day knowledge of the magnitude of the strain levels in the ground associated with geotechnical structures, together with an increasing number of projects requiring the best estimates of ground movements around excavations, has led to, inter alia, increased interest in measuring the very......-small-strain stiffness of the ground Gmax. Continuous surface wave geophysics offers a quick, non-intrusive and economical way of making such measurements. This paper reviews the continuous surface wave techniques and evaluates, in engineering terms, the applicability of the method to the site investigation industry....
Tunnel flexibility effect on the ground surface acceleration response
Baziar, Mohammad Hassan; Moghadam, Masoud Rabeti; Choo, Yun Wook; Kim, Dong-Soo
2016-09-01
Flexibility of underground structures relative to the surrounding medium, referred to as the flexibility ratio, is an important factor that influences their dynamic interaction. This study investigates the flexibility effect of a box-shaped subway tunnel, resting directly on bedrock, on the ground surface acceleration response using a numerical model verified against dynamic centrifuge test results. A comparison of the ground surface acceleration response for tunnel models with different flexibility ratios revealed that the tunnels with different flexibility ratios influence the acceleration response at the ground surface in different ways. Tunnels with lower flexibility ratios have higher acceleration responses at short periods, whereas tunnels with higher flexibility ratios have higher acceleration responses at longer periods. The effect of the flexibility ratio on ground surface acceleration is more prominent in the high range of frequencies. Furthermore, as the flexibility ratio of the tunnel system increases, the acceleration response moves away from the free field response and shifts towards the longer periods. Therefore, the flexibility ratio of the underground tunnels influences the peak ground acceleration (PGA) at the ground surface, and may need to be considered in the seismic zonation of urban areas.
Hernandez-Lamoneda, Ramón; Rosas, Victor Hugo Uc; Uruchurtu, Margarita I Bernal; Halberstadt, Nadine; Janda, Kenneth C
2008-01-10
All electron ab initio calculations for the interaction of H2O with Cl2 and Br2 are reported for the ground state and the lowest triplet and singlet Pi excited states as a function of both the X-X and O-X bond lengths (X = Cl or Br). For the ground state and lowest triplet state, the calculations are performed with the coupled cluster singles, doubles, and perturbative triple excitation level of correlation using an augmented triple-zeta basis set. For the 1Pi state the multireference average quadratic coupled cluster technique was employed. For several points on the potential, the calculations were repeated with the augmented quadruple-zeta basis set. The ground-state well depths were found to be 917 and 1,183 cm-1 for Cl2 and Br2, respectively, with the triple-zeta basis set, and they increased to 982 and 1,273 cm-1 for the quadruple-zeta basis set. At the geometry of the ground-state minimum, the lowest energy state corresponding to the unperturbed 1Pi states of the halogens increases in energy by 637 and 733 cm-1, respectively, relative to the ground-state dissociation limit of the H2O-X2 complex. Adding the attractive ground-state interaction energy to that of the repulsive excited state predicts a blue-shift, relative to that of the free halogen molecules, of approximately 1,600 cm-1 for H2O-Cl2 and approximately 2,000 cm-1 for H2O-Br2. These vertical blue-shifts for the dimers are greater than the shift of the band maximum upon solvation of either halogen in liquid water.
Is the ground state of Yang-Mills theory Coulombic?
Heinzl, T.; Ilderton, A.; Langfeld, K.; Lavelle, M.; Lutz, W.; McMullan, D.
2008-08-01
We study trial states modelling the heavy quark-antiquark ground state in SU(2) Yang-Mills theory. A state describing the flux tube between quarks as a thin string of glue is found to be a poor description of the continuum ground state; the infinitesimal thickness of the string leads to UV artifacts which suppress the overlap with the ground state. Contrastingly, a state which surrounds the quarks with non-Abelian Coulomb fields is found to have a good overlap with the ground state for all charge separations. In fact, the overlap increases as the lattice regulator is removed. This opens up the possibility that the Coulomb state is the true ground state in the continuum limit.
Neutrino ground state in a dense star
International Nuclear Information System (INIS)
Kiers, K.; Tytgat, M.H.
1998-01-01
It has recently been argued that long range forces due to the exchange of massless neutrinos give rise to a very large self-energy in a dense, finite-ranged, weakly charged medium. Such an effect, if real, would destabilize a neutron star. To address this issue we have studied the related problem of a massless neutrino field in the presence of an external, static electroweak potential of finite range. To be precise, we have computed to one loop the exact vacuum energy for the case of a spherical square well potential of depth α and radius R. For small wells, the vacuum energy is reliably determined by a perturbative expansion in the external potential. For large wells, however, the perturbative expansion breaks down. A manifestation of this breakdown is that the vacuum carries a non-zero neutrino charge. The energy and neutrino charge of the ground state are, to a good approximation for large wells, those of a neutrino condensate with chemical potential μ=α. Our results demonstrate explicitly that long-range forces due to the exchange of massless neutrinos do not threaten the stability of neutron stars. copyright 1998 The American Physical Society
Surface reconstruction, figure-ground modulation, and border-ownership
Jeurissen, D.; Self, M.W.; Roelfsema, P.R.
2013-01-01
The Differentiation-Integration for Surface Completion (DISC) model aims to explain the reconstruction of visual surfaces. We find the model a valuable contribution to our understanding of figure-ground organization. We point out that, next to border-ownership, neurons in visual cortex code whether
Surface reconstruction, figure-ground modulation, and border-ownership
Jeurissen, Danique; Self, Matthew W.; Roelfsema, Pieter R.
2013-01-01
Abstract The Differentiation-Integration for Surface Completion (DISC) model aims to explain the reconstruction of visual surfaces. We find the model a valuable contribution to our understanding of figure-ground organization. We point out that, next to border-ownership, neurons in visual cortex code
On the ground state of Yang-Mills theory
Bakry, Ahmed S.; Leinweber, Derek B.; Williams, Anthony G.
2011-01-01
We investigate the overlap of the ground state meson potential with sets of mesonic-trial wave functions corresponding to different gluonic distributions. We probe the transverse structure of the flux tube through the creation of non-uniform smearing profiles for the string of glue connecting two color sources in Wilson loop operator. The non-uniformly UV-regulated flux-tube operators are found to optimize the overlap with the ground state and display interesting features in the ground state ...
Qu, Chen; Bowman, Joel M
2016-09-14
We report a full-dimensional, permutationally invariant potential energy surface (PES) for the cyclic formic acid dimer. This PES is a least-squares fit to 13475 CCSD(T)-F12a/haTZ (VTZ for H and aVTZ for C and O) energies. The energy-weighted, root-mean-square fitting error is 11 cm -1 and the barrier for the double-proton transfer on the PES is 2848 cm -1 , in good agreement with the directly-calculated ab initio value of 2853 cm -1 . The zero-point vibrational energy of 15 337 ± 7 cm -1 is obtained from diffusion Monte Carlo calculations. Energies of fundamentals of fifteen modes are calculated using the vibrational self-consistent field and virtual-state configuration interaction method. The ground-state tunneling splitting is computed using a reduced-dimensional Hamiltonian with relaxed potentials. The highest-level, four-mode coupled calculation gives a tunneling splitting of 0.037 cm -1 , which is roughly twice the experimental value. The tunneling splittings of (DCOOH) 2 and (DCOOD) 2 from one to three mode calculations are, as expected, smaller than that for (HCOOH) 2 and consistent with experiment.
Effect of surface loading on the hydro-mechanical response of a tunnel in saturated ground
Directory of Open Access Journals (Sweden)
Simon Heru Prassetyo
2016-09-01
Full Text Available The design of underground spaces in urban areas must account not only for the current overburden load but also for future surface loads, such as from construction of high-rise buildings above underground structures. In saturated ground, the surface load will generate an additional mechanical response through stress changes and ground displacement, as well as a hydraulic response through pore pressure changes. These hydro-mechanical (H-M changes can severely influence tunnel stability. This paper examines the effect of surface loading on the H-M response of a typical horseshoe-shaped tunnel in saturated ground. Two tunnel models were created in the computer code Fast Lagrangian Analysis of Continua (FLAC. One model represented weak and low permeability ground (stiff clay, and the other represented strong and high permeability ground (weathered granite. Each of the models was run under two liner permeabilities: permeable and impermeable. Two main cases were compared. In Case 1, the surface load was applied 10 years after tunnel construction. In Case 2, the surface load was applied after the steady state pore pressure condition was achieved. The simulation results show that tunnels with impermeable liners experienced the most severe influence from the surface loading, with high pore pressures, large inward displacement around the tunnels, and high bending moments in the liner. In addition, the severity of the response increased toward steady state. This induced H-M response was worse for tunnels in clay than for those in granite. Furthermore, the long-term liner stabilities in Case 1 and Case 2 were similar, indicating that the influence of the length of time between when the tunnel was completed and when the surface load was applied was negligible. These findings suggest that under surface loading, in addition to the ground strength, tunnel stability in saturated ground is largely influenced by liner permeability and the long-term H-M response of
Effects of different ground surface on rye habit and yield
International Nuclear Information System (INIS)
Doroszewski, A.
1995-01-01
Rye was sown in pots imbeded into the ground, in non-competitive conditions. Plot differed only with kinds of ground surfaces (grass, bare soil) which affected the spectral composition of reflected sunlight. Plants growing on the ground covered with grass received more radiation in the range of far red than plants growing on bare soil. The plants from both plots reacted differently to the environmental conditions by creating different habits. Main shoots of rye growing in the neighbourhood of grass had been much taller than the rye growing on the bare soil; its internodes were longer and its heads heavier and heads had more grain
Exhalation of radon and thoron from ground surface
International Nuclear Information System (INIS)
Megumi, Kazuko
1978-01-01
When radon and thoron in the environment are considered, the exhalations of radon and thoron from the ground surface are important. The following matters are described: a method of measuring directly the quantities of radon and thoron exhaled from the ground surface, the respective quantities measured by the method in summer and winter, and the dependence of the exhalations upon soil particle sizes. In this direct method, to obtain the exhalation quantities, radon and thoron from the ground surface are adsorbed in granular active carbon, and the γ-ray spectra are measured. The method is capable of measuring radon and thoron simultaneously in direct and inexpensive manner. For continuous measurement, however, it needs further improvement. The measurements by the method revealed the difference between summer and winter, the effect of rainfall, the dependence on soil particle size and on soil moisture of radon and thoron exhalations. (J.P.N.)
On the ground state of Yang-Mills theory
International Nuclear Information System (INIS)
Bakry, Ahmed S.; Leinweber, Derek B.; Williams, Anthony G.
2011-01-01
Highlights: → The ground state overlap for sets of meson potential trial states is measured. → Non-uniform gluonic distributions are probed via Wilson loop operator. → The locally UV-regulated flux-tube operators can optimize the ground state overlap. - Abstract: We investigate the overlap of the ground state meson potential with sets of mesonic-trial wave functions corresponding to different gluonic distributions. We probe the transverse structure of the flux tube through the creation of non-uniform smearing profiles for the string of glue connecting two color sources in Wilson loop operator. The non-uniformly UV-regulated flux-tube operators are found to optimize the overlap with the ground state and display interesting features in the ground state overlap.
Surface states in photonic crystals
Directory of Open Access Journals (Sweden)
Vojtíšek P.
2013-05-01
Full Text Available Among many unusual and interesting physical properties of photonic crystals (PhC, in recent years, the propagation of surface electromagnetic waves along dielectric PhC boundaries have attracted considerable attention, also in connection to their possible applications. Such surfaces states, produced with the help of specialized defects on PhC boundaries, similarly to surfaces plasmons, are localized surfaces waves and, as such, can be used in various sensing applications. In this contribution, we present our recent studies on numerical modelling of surface states (SS for all three cases of PhC dimensionality. Simulations of these states were carried out by the use of plane wave expansion (PWE method via the MIT MPB package.
A field investigation was conducted to examine the distribution of arsenic in ground water, surface water, and sediments at a Superfund Site in the northeastern United States (see companion presentation by K. G. Scheckel et al). Ground-water discharge into the study area was cha...
On the ground state for fractional quantum hall effect
International Nuclear Information System (INIS)
Jellal, A.
1998-09-01
In the present letter, we investigate the ground state wave function for an explicit model of electrons in an external magnetic field with specific inter-particle interactions. The excitation states of this model are also given. (author)
Solving satisfiability problems by the ground-state quantum computer
International Nuclear Information System (INIS)
Mao Wenjin
2005-01-01
A quantum algorithm is proposed to solve the satisfiability (SAT) problems by the ground-state quantum computer. The scale of the energy gap of the ground-state quantum computer is analyzed for the 3-bit exact cover problem. The time cost of this algorithm on the general SAT problems is discussed
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)
Classical many-particle systems with unique disordered ground states
Zhang, G.; Stillinger, F. H.; Torquato, S.
2017-10-01
Classical ground states (global energy-minimizing configurations) of many-particle systems are typically unique crystalline structures, implying zero enumeration entropy of distinct patterns (aside from trivial symmetry operations). By contrast, the few previously known disordered classical ground states of many-particle systems are all high-entropy (highly degenerate) states. Here we show computationally that our recently proposed "perfect-glass" many-particle model [Sci. Rep. 6, 36963 (2016), 10.1038/srep36963] possesses disordered classical ground states with a zero entropy: a highly counterintuitive situation . For all of the system sizes, parameters, and space dimensions that we have numerically investigated, the disordered ground states are unique such that they can always be superposed onto each other or their mirror image. At low energies, the density of states obtained from simulations matches those calculated from the harmonic approximation near a single ground state, further confirming ground-state uniqueness. Our discovery provides singular examples in which entropy and disorder are at odds with one another. The zero-entropy ground states provide a unique perspective on the celebrated Kauzmann-entropy crisis in which the extrapolated entropy of a supercooled liquid drops below that of the crystal. We expect that our disordered unique patterns to be of value in fields beyond glass physics, including applications in cryptography as pseudorandom functions with tunable computational complexity.
Basin scale management of surface and ground water
International Nuclear Information System (INIS)
Tracy, J.C.; Al-Sharif, M.
1993-01-01
An important element in the economic development of many regions of the Great Plains is the availability of a reliable water supply. Due to the highly variable nature of the climate through out much of the Great Plains region, non-controlled stream flow rates tend to be highly variable from year to year. Thus, the primary water supply has tended towards developing ground water aquifers. However, in regions where shallow ground water is extracted for use, there exists the potential for over drafting aquifers to the point of depleting hydraulically connected stream flows, which could adversely affect the water supply of downstream users. To prevent the potential conflict that can arise when a basin's water supply is being developed or to control the water extractions within a developed basin requires the ability to predict the effect that water extractions in one region will have on water extractions from either surface or ground water supplies else where in the basin. This requires the ability to simulate ground water levels and stream flows on a basin scale as affected by changes in water use, land use practices and climatic changes within the basin. The outline for such a basin scale surface water-ground water model has been presented in Tracy (1991) and Tracy and Koelliker (1992), and the outline for the mathematical programming statement to aid in determining the optimal allocation of water on a basin scale has been presented in Tracy and Al-Sharif (1992). This previous work has been combined into a computer based model with graphical output referred to as the LINOSA model and was developed as a decision support system for basin managers. This paper will present the application of the LINOSA surface-ground water management model to the Rattlesnake watershed basin that resides within Ground Water Management District Number 5 in south central Kansas
Uranium in US surface, ground, and domestic waters
International Nuclear Information System (INIS)
Drury, J.S.; Reynolds, S.; Owen, P.T.; Ross, R.H.; Ensminger, J.T.
1981-04-01
The report Uranium in US Surface, Ground, and Domestic Waters comprises four volumes. Volumes 2, 3, and 4 contain data characterizing the location, sampling date, type, use, and uranium concentrations of 89,994 individual samples presented in tabular form. The tabular data in volumes 2, 3, and 4 are summarized in volume 1 in narrative form and with maps and histograms
Uranium in US surface, ground, and domestic waters. Volume 2
International Nuclear Information System (INIS)
Drury, J.S.; Reynolds, S.; Owen, P.T.; Ross, R.H.; Ensminger, J.T.
1981-04-01
The report Uranium in US Surface, Ground, and Domestic Waters comprises four volumes. Volumes 2, 3, and 4 contain data characterizing the location, sampling date, type, use, and uranium conentrations of 89,994 individual samples presented in tabular form. The tabular data in volumes 2, 3, and 4 are summarized in volume 1 in narrative form and with maps and histograms
Uranium in US surface, ground, and domestic waters
International Nuclear Information System (INIS)
Drury, J.S.; Reynolds, S.; Owen, P.T.; Ross, R.H.; Ensminger, J.T.
1981-04-01
The report Uranium in US Surface, Ground, and Domestic Waters, comprises four volumes. Volumes 2, 3, and 4 contain data characterizing the location, sampling date, type, use, and uranium concentrations of 89,994 individual samples presented in tabular form. The tabular data in volumes 2, 3, and 4 are summarized in volume 1 in narrative form and with maps and histograms
Directory of Open Access Journals (Sweden)
Akrawy Dashty T.
2018-01-01
Full Text Available Theoretical α-decay half-lives of some nuclei from ground state to ground state are calculated using different nuclear potential model including Coulomb proximity potential (CPPM, Royer proximity potential and Broglia and Winther 1991. The calculated values comparing with experimental data, it is observed that the CPPM model is in good agreement with the experimental data.
Assessment of the impact of underground mining on ground surface
International Nuclear Information System (INIS)
Toomik, Arvi
1999-01-01
The mine able oil shale bed is located in horizontally lying Ordovician limestones at a depth of 10-60 meters from the ground surface. Limestones are covered with Quaternary sediments, mainly till and loam, sporadically seams of clay occur. The overburden rocks of oil shale bed are jointed limestones with weak contacts between layers. The upper part of limestones is weakened additionally due to weathering to depths of 10-20 metres. Ground movements caused by mining reach the ground surface easily due to the shallow location of workings. The size and nature of these movements depend on mining and roof control methods used. In this study the impact of geotechnical processes on the ground surface caused by four different mining methods is analysed. A new, artificial micro relief is formed on undermined areas, where the ground surface depressions are alternating with rising grounds. When the Quaternary cover contains loamy sediments, the surface (rain) water will accumulate in the depressions. The response of usable lands on undermined areas depends on the degree of changes in the relief and water regime. There exists a maximum degree (limit) of changes of ground movements in case of which the changes in land use are not yet considerable. The factor of land deterioration was developed for arable and forest lands taking into account the character and degree of negative impacts. When no one deterioration factor exceeds the limit, the value of arable land will be 1.0 (100%). When some factor exceeds the limit, then water logging in subsidence troughs will diminish the value to 0.7, slopes to 0.8 and the area of weathered basic rocks to 0.9. In case of a combined effect of all these factors the value of arable land will fall to 0.5. As the long-term character of ground movement after room and pillar mining is not yet established, the factor for quasi stable areas is taken preliminarily as 0.9. Using detailed plans of mined out areas and the proposed factors, it is possible
Ground state energy fluctuations in the nuclear shell model
International Nuclear Information System (INIS)
Velazquez, Victor; Hirsch, Jorge G.; Frank, Alejandro; Barea, Jose; Zuker, Andres P.
2005-01-01
Statistical fluctuations of the nuclear ground state energies are estimated using shell model calculations in which particles in the valence shells interact through well-defined forces, and are coupled to an upper shell governed by random 2-body interactions. Induced ground-state energy fluctuations are found to be one order of magnitude smaller than those previously associated with chaotic components, in close agreement with independent perturbative estimates based on the spreading widths of excited states
On calculations of the ground state energy in quantum mechanics
International Nuclear Information System (INIS)
Efimov, G.V.
1991-02-01
In nonrelativistic quantum mechanics the Wick-ordering method called the oscillator representation suggested to calculate the ground-state energy for a wide class of potentials allowing the existence of a bound state. The following examples are considered: the orbital excitations of the ground-state in the Coulomb plus linear potential, the Schroedinger equation with a ''relativistic'' kinetic energy √p 2 +m 2 , the Coulomb three-body problem. (author). 22 refs, 2 tabs
Entanglement of two ground state neutral atoms using Rydberg blockade
DEFF Research Database (Denmark)
Miroshnychenko, Yevhen; Browaeys, Antoine; Evellin, Charles
2011-01-01
We report on our recent progress in trapping and manipulation of internal states of single neutral rubidium atoms in optical tweezers. We demonstrate the creation of an entangled state between two ground state atoms trapped in separate tweezers using the effect of Rydberg blockade. The quality...... of the entanglement is measured using global rotations of the internal states of both atoms....
On the ground state of Yang-Mills theory
Bakry, Ahmed S.; Leinweber, Derek B.; Williams, Anthony G.
2011-08-01
We investigate the overlap of the ground state meson potential with sets of mesonic-trial wave functions corresponding to different gluonic distributions. We probe the transverse structure of the flux tube through the creation of non-uniform smearing profiles for the string of glue connecting two color sources in Wilson loop operator. The non-uniformly UV-regulated flux-tube operators are found to optimize the overlap with the ground state and display interesting features in the ground state overlap.
A model of the ground surface temperature for micrometeorological analysis
Leaf, Julian S.; Erell, Evyatar
2017-07-01
Micrometeorological models at various scales require ground surface temperature, which may not always be measured in sufficient spatial or temporal detail. There is thus a need for a model that can calculate the surface temperature using only widely available weather data, thermal properties of the ground, and surface properties. The vegetated/permeable surface energy balance (VP-SEB) model introduced here requires no a priori knowledge of soil temperature or moisture at any depth. It combines a two-layer characterization of the soil column following the heat conservation law with a sinusoidal function to estimate deep soil temperature, and a simplified procedure for calculating moisture content. A physically based solution is used for each of the energy balance components allowing VP-SEB to be highly portable. VP-SEB was tested using field data measuring bare loess desert soil in dry weather and following rain events. Modeled hourly surface temperature correlated well with the measured data (r 2 = 0.95 for a whole year), with a root-mean-square error of 2.77 K. The model was used to generate input for a pedestrian thermal comfort study using the Index of Thermal Stress (ITS). The simulation shows that the thermal stress on a pedestrian standing in the sun on a fully paved surface, which may be over 500 W on a warm summer day, may be as much as 100 W lower on a grass surface exposed to the same meteorological conditions.
Ground State Energy of the Modified Nambu-Goto String
Hadasz, Leszek
We calculate, using zeta function regularization method, semiclassical energy of the Nambu-Goto string supplemented with the boundary, Gauss-Bonnet term in the action and discuss the tachyonic ground state problem.
Ground state energy of the modified Nambu-Goto string
Hadasz, Leszek
1997-01-01
We calculate, using zeta function regularization method, semiclassical energy of the Nambu-Goto string supplemented with the boundary, Gauss-Bonnet term in the action and discuss the tachyonic ground state problem.
Approximating the ground state of gapped quantum spin systems
Energy Technology Data Exchange (ETDEWEB)
Michalakis, Spyridon [Los Alamos National Laboratory; Hamza, Eman [NON LANL; Nachtergaele, Bruno [NON LANL; Sims, Robert [NON LANL
2009-01-01
We consider quantum spin systems defined on finite sets V equipped with a metric. In typical examples, V is a large, but finite subset of Z{sup d}. For finite range Hamiltonians with uniformly bounded interaction terms and a unique, gapped ground state, we demonstrate a locality property of the corresponding ground state projector. In such systems, this ground state projector can be approximated by the product of observables with quantifiable supports. In fact, given any subset {chi} {contained_in} V the ground state projector can be approximated by the product of two projections, one supported on {chi} and one supported on {chi}{sup c}, and a bounded observable supported on a boundary region in such a way that as the boundary region increases, the approximation becomes better. Such an approximation was useful in proving an area law in one dimension, and this result corresponds to a multi-dimensional analogue.
Surface Waves Propagating on Grounded Anisotropic Dielectric Slab
Directory of Open Access Journals (Sweden)
Zhuozhu Chen
2018-01-01
Full Text Available This paper investigates the characteristics of surface waves propagating on a grounded anisotropic dielectric slab. Distinct from the existing analyses that generally assume that the fields of surface wave uniformly distribute along the transverse direction of the infinitely large grounded slab, our method takes into account the field variations along the transverse direction of a finite-width slab. By solving Maxwell’s equations in closed-form, it is revealed that no pure transverse magnetic (TM or transverse electric (TE mode exists if the fields are non-uniformly distributed along the transverse direction of the grounded slab. Instead, two hybrid modes, namely quasi-TM and quasi-TE modes, are supported. In addition, the propagation characteristics of two hybrid modes supported by the grounded anisotropic slab are analyzed in terms of the slab thickness, slab width, as well as the relative permittivity tensor of the anisotropic slab. Furthermore, different methods are employed to compare the analyses, as well as to validate our derivations. The proposed method is very suitable for practical engineering applications.
The ground state energy of a classical gas
International Nuclear Information System (INIS)
Conlon, J.G.
1983-01-01
The ground state energy of a classical gas is treated using a probability function for the position of the particles and a potential function. The lower boundary for the energy when the particle number is large is defined as ground state energy. The coulomb gas consisting of positive and negative particles is also treated (fixed and variable density case) the stability of the relativistic system is investigated as well. (H.B.)
Theory of ground state factorization in quantum cooperative systems.
Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio
2008-05-16
We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows us to determine rigorously the existence, location, and exact form of separable ground states in a large variety of, generally nonexactly solvable, spin models belonging to different universality classes. The theory applies to translationally invariant systems, irrespective of spatial dimensionality, and for spin-spin interactions of arbitrary range.
Practical aspects of tritium measurement in ground and surface waters
Energy Technology Data Exchange (ETDEWEB)
Nitzsche, O [Technische Univ. Bergakademie Freiberg (Germany). Inst. fuer Angewandte Physik; Hebert, D [Technische Univ. Bergakademie Freiberg (Germany). Inst. fuer Angewandte Physik
1997-03-01
Tritium measurements are a powerful tool in hydrological and hydrogeological investigations for detecting mean residence times of several water reservoirs. Due to the low tritium activities in precipitation, ground and surface waters a low level measurement is necessary. Therefore often the liquid scintillation counting after an electrolytic enrichment of water is used. In this paper some practical aspects and problems of measurement are discussed and the problem of contamination in low level laboratories is shown. (orig.)
Aspects of studies on carbon cycle at ground surface
International Nuclear Information System (INIS)
Yamazawa, Hiromi; Kawai, Shintaro; Moriizumi, Jun; Iida, Takao
2008-01-01
Radiocarbon released from nuclear facilities into the atmosphere is readily involved in a ground surface carbon cycle, which has very large spatial and temporal variability. Most of the recent studies on the carbon cycle at the ground surface are concerned with global warming, to which the ground surface plays a crucial role as a sink and/or source of atmospheric carbon dioxide. In these studies, carbon isotopes are used as tracers to quantitatively evaluate behavior of carbon. From a view point of environmental safety of nuclear facilities, radiocarbon released from a facility should be traced in a specific spatial and temporal situation because carbon cycle is driven by biological activities which are spatially and temporally heterogeneous. With this background, this paper discusses aspects of carbon cycle studies by exemplifying an experimental study on carbon cycle in a forest and a numerical study on soil organic carbon formation. The first example is a typical global warming-related observational study in which radiocarbon is used as a tracer to illustrate how carbon behaves in diurnal to seasonal time scales. The second example is on behavior of bomb carbon incorporated in soil organic matter in a long-term period of decades. The discussion will cover conceptual modelling of carbon cycle from different aspects and importance of specifying time scales of interest. (author)
Ground-Water Availability in the United States
Reilly, Thomas E.; Dennehy, Kevin F.; Alley, William M.; Cunningham, William L.
2008-01-01
Ground water is among the Nation's most important natural resources. It provides half our drinking water and is essential to the vitality of agriculture and industry, as well as to the health of rivers, wetlands, and estuaries throughout the country. Large-scale development of ground-water resources with accompanying declines in ground-water levels and other effects of pumping has led to concerns about the future availability of ground water to meet domestic, agricultural, industrial, and environmental needs. The challenges in determining ground-water availability are many. This report examines what is known about the Nation's ground-water availability and outlines a program of study by the U.S. Geological Survey Ground-Water Resources Program to improve our understanding of ground-water availability in major aquifers across the Nation. The approach is designed to provide useful regional information for State and local agencies who manage ground-water resources, while providing the building blocks for a national assessment. The report is written for a wide audience interested or involved in the management, protection, and sustainable use of the Nation's water resources.
Investigation of zones with increased ground surface gamma radiation
International Nuclear Information System (INIS)
Butkus, D.V.; Morkunas, G.S.; Styro, B.I.
1989-01-01
Measurements of the increased gamma radiation zones of soils were conducted in the South-Western part of the Litvinian. The shores of lakes in the north-eastern part of the Suduva high land were investigated. the maximum values of the gamma radiation dose rates were distributed along the lake shores at a distance of 1 m from the water surface, while farther than 1.5 m from it the dose rate was close to the natural value. The increased gamma radiation intensity zones on the ground surface were found only at the northern (Lake Reketija) or the western shore (other lakes under investigation). The highest values of the gamma radiation dose 200-600 μR/h (0.5-1.5 nGy/s) were observed in the comparatively small areas (up to several square metres). The gamma radiation intensity of soil surface increased strongly moving towards the point where the maximum intensity was obsered. 10 figs
Jiménez, Andrea
2014-02-01
We study the unexpected asymptotic behavior of the degeneracy of the first few energy levels in the antiferromagnetic Ising model on triangulations of closed Riemann surfaces. There are strong mathematical and physical reasons to expect that the number of ground states (i.e., degeneracy) of the antiferromagnetic Ising model on the triangulations of a fixed closed Riemann surface is exponential in the number of vertices. In the set of plane triangulations, the degeneracy equals the number of perfect matchings of the geometric duals, and thus it is exponential by a recent result of Chudnovsky and Seymour. From the physics point of view, antiferromagnetic triangulations are geometrically frustrated systems, and in such systems exponential degeneracy is predicted. We present results that contradict these predictions. We prove that for each closed Riemann surface S of positive genus, there are sequences of triangulations of S with exactly one ground state. One possible explanation of this phenomenon is that exponential degeneracy would be found in the excited states with energy close to the ground state energy. However, as our second result, we show the existence of a sequence of triangulations of a closed Riemann surface of genus 10 with exactly one ground state such that the degeneracy of each of the 1st, 2nd, 3rd and 4th excited energy levels belongs to O( n), O( n 2), O( n 3) and O( n 4), respectively.
Ground state correlations and structure of odd spherical nuclei
International Nuclear Information System (INIS)
Mishev, S.; Voronov, V. V.
2006-01-01
It is well known that the Pauli principle plays a substantial role at low energies because the phonon operators are not ideal boson operators. Calculating the exact commutators between the quasiparticle and phonon operators one can take into account the Pauli principle corrections. Besides the ground state correlations due to the quasiparticle interaction in the ground state influence the single particle fragmentation as well. In this paper, we generalize the basic QPM equations to account for both mentioned effects. As an illustration of our approach, calculations on the structure of the low-lying states in "1"3"1Ba have been performed.
Ground state correlations and structure of odd spherical nuclei
International Nuclear Information System (INIS)
Mishev, S.; Voronov, V.V.
2008-01-01
It is well known that the Pauli principle plays a substantial role at low energies because the phonon operators are not ideal boson operators. Calculating the exact commutators between the quasiparticle and phonon operators one can take into account the Pauli principle corrections. Besides, the ground state correlations due to the quasiparticle interaction in the ground state influence the single-particle fragmentation as well. In this paper, we generalize the basic equations of the quasiparticle-phonon nuclear model to account for both effects mentioned. As an illustration of our approach, calculations on the structure of the low-lying states in 133 Ba have been performed
High-speed ground transportation development outside United States
Energy Technology Data Exchange (ETDEWEB)
Eastham, T.R. [Queen`s Univ., Kingston, Ontario (United Kingdom)
1995-09-01
This paper surveys the state of high-speed (in excess of 200 km/h) ground-transportation developments outside the United States. Both high-speed rail and Maglev systems are covered. Many vehicle systems capable of providing intercity service in the speed range 200--500 km/h are or will soon be available. The current state of various technologies, their implementation, and the near-term plans of countries that are most active in high-speed ground transportation development are reported.
Dynamics of radon-222 near below ground surface
International Nuclear Information System (INIS)
Fukui, Masami; Katsurayama, Kousuke; Nishimura, Susumu.
1986-01-01
The concentrations and variation of 222 Rn were investigated both in unconfined groundwater and in the aerated zone to obtain information as to the behavior of Rn close to ground surface. The Rn concentrations in unconfined groundwater near the surface were depletive by the extent of about 50 % compared with that of lower part in a borehole, then the continuous extraction of groundwater causes pronounced increase of the concentration. The method, which monitors continuously the Rn concentration in such surroundings, was developed, where the unconfined groundwater extracted was injected into another borehole and sprayed gas was measured using an ionization chamber. The read-out values of this system well followed the variation of concentrations caused by the meteorological parameter, especially infiltrating water. The increase of 222 Rn concentration in the aerated zone above the water level was clearly observed following the ascendant of groundwater level caused by the infiltrating water, whereas the change of concentration in soil air just below the ground surface obeyed mainly to the wetness of soil and unconfined groundwater level rather than atmospheric pressure. (author)
Juckem, Paul F.
2009-01-01
A regional, two-dimensional, areal ground-water-flow model was developed to simulate the ground-water-flow system and ground-water/surface-water interaction in the Rock River Basin. The model was developed by the U.S. Geological Survey (USGS), in cooperation with the Rock River Coalition. The objectives of the regional model were to improve understanding of the ground-water-flow system and to develop a tool suitable for evaluating the effects of potential regional water-management programs. The computer code GFLOW was used because of the ease with which the model can simulate ground-water/surface-water interactions, provide a framework for simulating regional ground-water-flow systems, and be refined in a stepwise fashion to incorporate new data and simulate ground-water-flow patterns at multiple scales. The ground-water-flow model described in this report simulates the major hydrogeologic features of the modeled area, including bedrock and surficial aquifers, ground-water/surface-water interactions, and ground-water withdrawals from high-capacity wells. The steady-state model treats the ground-water-flow system as a single layer with hydraulic conductivity and base elevation zones that reflect the distribution of lithologic groups above the Precambrian bedrock and a regionally significant confining unit, the Maquoketa Formation. In the eastern part of the Basin where the shale-rich Maquoketa Formation is present, deep ground-water flow in the sandstone aquifer below the Maquoketa Formation was not simulated directly, but flow into this aquifer was incorporated into the GFLOW model from previous work in southeastern Wisconsin. Recharge was constrained primarily by stream base-flow estimates and was applied uniformly within zones guided by regional infiltration estimates for soils. The model includes average ground-water withdrawals from 1997 to 2006 for municipal wells and from 1997 to 2005 for high-capacity irrigation, industrial, and commercial wells. In addition
Probing quantum frustrated systems via factorization of the ground state.
Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio
2010-05-21
The existence of definite orders in frustrated quantum systems is related rigorously to the occurrence of fully factorized ground states below a threshold value of the frustration. Ground-state separability thus provides a natural measure of frustration: strongly frustrated systems are those that cannot accommodate for classical-like solutions. The exact form of the factorized ground states and the critical frustration are determined for various classes of nonexactly solvable spin models with different spatial ranges of the interactions. For weak frustration, the existence of disentangling transitions determines the range of applicability of mean-field descriptions in biological and physical problems such as stochastic gene expression and the stability of long-period modulated structures.
Fast Preparation of Critical Ground States Using Superluminal Fronts
Agarwal, Kartiek; Bhatt, R. N.; Sondhi, S. L.
2018-05-01
We propose a spatiotemporal quench protocol that allows for the fast preparation of ground states of gapless models with Lorentz invariance. Assuming the system initially resides in the ground state of a corresponding massive model, we show that a superluminally moving "front" that locally quenches the mass, leaves behind it (in space) a state arbitrarily close to the ground state of the gapless model. Importantly, our protocol takes time O (L ) to produce the ground state of a system of size ˜Ld (d spatial dimensions), while a fully adiabatic protocol requires time ˜O (L2) to produce a state with exponential accuracy in L . The physics of the dynamical problem can be understood in terms of relativistic rarefaction of excitations generated by the mass front. We provide proof of concept by solving the proposed quench exactly for a system of free bosons in arbitrary dimensions, and for free fermions in d =1 . We discuss the role of interactions and UV effects on the free-theory idealization, before numerically illustrating the usefulness of the approach via simulations on the quantum Heisenberg spin chain.
Ground-state fidelity in the BCS-BEC crossover
International Nuclear Information System (INIS)
Khan, Ayan; Pieri, Pierbiagio
2009-01-01
The ground-state fidelity has been introduced recently as a tool to investigate quantum phase transitions. Here, we apply this concept in the context of a crossover problem. Specifically, we calculate the fidelity susceptibility for the BCS ground-state wave function, when the intensity of the fermionic attraction is varied from weak to strong in an interacting Fermi system, through the BCS-Bose-Einstein Condensation crossover. Results are presented for contact and finite-range attractive potentials and for both continuum and lattice models. We conclude that the fidelity susceptibility can be useful also in the context of crossover problems.
Measurement of the ground-state hyperfine splitting of antihydrogen
Juhász, B; Federmann, S
2011-01-01
The ASACUSA collaboration at the Antiproton Decelerator of CERN is planning to measure the ground-state hyperfine splitting of antihydrogen using an atomic beam line, consisting of a cusp trap as a source of partially polarized antihydrogen atoms, a radiofrequency spin-flip cavity, a superconducting sextupole magnet as spin analyser, and an antihydrogen detector. This will be a measurement of the antiproton magnetic moment, and also a test of the CPT invariance. Monte Carlo simulations predict that the antihydrogen ground-state hyperfine splitting can be determined with a relative precision of ~10−7. The first preliminary measurements of the hyperfine transitions will start in 2011.
Coherent Control of Ground State NaK Molecules
Yan, Zoe; Park, Jee Woo; Loh, Huanqian; Will, Sebastian; Zwierlein, Martin
2016-05-01
Ultracold dipolar molecules exhibit anisotropic, tunable, long-range interactions, making them attractive for the study of novel states of matter and quantum information processing. We demonstrate the creation and control of 23 Na40 K molecules in their rovibronic and hyperfine ground state. By applying microwaves, we drive coherent Rabi oscillations of spin-polarized molecules between the rotational ground state (J=0) and J=1. The control afforded by microwave manipulation allows us to pursue engineered dipolar interactions via microwave dressing. By driving a two-photon transition, we are also able to observe Ramsey fringes between different J=0 hyperfine states, with coherence times as long as 0.5s. The realization of long coherence times between different molecular states is crucial for applications in quantum information processing. NSF, AFOSR- MURI, Alfred P. Sloan Foundation, DARPA-OLE
Dissociation energy of the ground state of NaH
International Nuclear Information System (INIS)
Huang, Hsien-Yu; Lu, Tsai-Lien; Whang, Thou-Jen; Chang, Yung-Yung; Tsai, Chin-Chun
2010-01-01
The dissociation energy of the ground state of NaH was determined by analyzing the observed near dissociation rovibrational levels. These levels were reached by stimulated emission pumping and fluorescence depletion spectroscopy. A total of 114 rovibrational levels in the ranges 9≤v '' ≤21 and 1≤J '' ≤14 were assigned to the X 1 Σ + state of NaH. The highest vibrational level observed was only about 40 cm -1 from the dissociation limit in the ground state. One quasibound state, above the dissociation limit and confined by the centrifugal barrier, was observed. Determining the vibrational quantum number at dissociation v D from the highest four vibrational levels yielded the dissociation energy D e =15 815±5 cm -1 . Based on new observations and available data, a set of Dunham coefficients and the rotationless Rydberg-Klein-Rees curve were constructed. The effective potential curve and the quasibound states were discussed.
Three-body problem in the ground-state representation
International Nuclear Information System (INIS)
Gonzalez, A.
1993-01-01
The ground-state probability density of a three-body system is used to construct a classical potential U whose minimum coincides exactly with the ground-state energy. The spectrum of excited states may approximately be obtained by imposing quasiclassical quantization conditions over the classical motion in U. We show nontrivial one-dimensional models in which either this quantization condition is exact or considerably improves the usual semiclassical quantization. For three-dimensional problems, the small-oscillation frequencies in states with total angular momentum L = 0 are computed. These frequencies could represent an improvement over the frequencies of triatomic molecules computed with the use of ordinary quasiclassics for the motion of the nuclei in the molecular term. By providing a semiclassical description of the first excited quantum states, the sketched approach rises some interesting questions such as, for example, the relevance (once again) of classical chaos to quantum mechanics
Ground and surface water in New Mexico: are they protected against uranium mining and milling
International Nuclear Information System (INIS)
Townsend, K.K.
1978-01-01
Inadequate funds to allow New Mexico to collect data on the effects of uranium mining and milling on ground and surface water resources and vigorous opposition by the uranium companies have made the Environmental Protection Agency reluctant to adopt the state's request for control of discharges. The state is unable to monitor for the presence of toxic materials and questions have been raised over EPA's jurisdiction over groundwater. Federal and state water pollution regulations are reviewed and weaknesses noted, particularly the effect of terrain and the limitations on regulation of navigable waters
Ground state of a hydrogen ion molecule immersed in an inhomogeneous electron gas
International Nuclear Information System (INIS)
Diaz-Valdes, J.; Gutierrez, F.A.; Matamala, A.R.; Denton, C.D.; Vargas, P.; Valdes, J.E.
2007-01-01
In this work we have calculated the ground state energy of the hydrogen molecule, H 2 + , immersed in the highly inhomogeneous electron gas around a metallic surface within the local density approximation. The molecule is perturbed by the electron density of a crystalline surface of Au with the internuclear axis parallel to the surface. The surface spatial electron density is calculated through a linearized band structure method (LMTO-DFT). The ground state of the molecule-ion was calculated using the Born-Oppenheimer approximation for a fixed-ion while the screening effects of the inhomogeneous electron gas are depicted by a Thomas-Fermi like electrostatic potential. We found that within our model the molecular ion dissociates at the critical distance of 2.35a.u. from the first atomic layer of the solid
In-surface confinement of topological insulator nanowire surface states
International Nuclear Information System (INIS)
Chen, Fan W.; Jauregui, Luis A.; Tan, Yaohua; Manfra, Michael; Klimeck, Gerhard; Chen, Yong P.; Kubis, Tillmann
2015-01-01
The bandstructures of [110] and [001] Bi 2 Te 3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects
In-surface confinement of topological insulator nanowire surface states
Energy Technology Data Exchange (ETDEWEB)
Chen, Fan W., E-mail: fanchen@purdue.edu [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); Jauregui, Luis A. [School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Tan, Yaohua [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Manfra, Michael [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Klimeck, Gerhard [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Chen, Yong P. [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Kubis, Tillmann [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States)
2015-09-21
The bandstructures of [110] and [001] Bi{sub 2}Te{sub 3} nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects.
In-surface confinement of topological insulator nanowire surface states
Chen, Fan W.; Jauregui, Luis A.; Tan, Yaohua; Manfra, Michael; Klimeck, Gerhard; Chen, Yong P.; Kubis, Tillmann
2015-09-01
The bandstructures of [110] and [001] Bi2Te3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects.
Ground state of the parallel double quantum dot system.
Zitko, Rok; Mravlje, Jernej; Haule, Kristjan
2012-02-10
We resolve the controversy regarding the ground state of the parallel double quantum dot system near half filling. The numerical renormalization group predicts an underscreened Kondo state with residual spin-1/2 magnetic moment, ln2 residual impurity entropy, and unitary conductance, while the Bethe ansatz solution predicts a fully screened impurity, regular Fermi-liquid ground state, and zero conductance. We calculate the impurity entropy of the system as a function of the temperature using the hybridization-expansion continuous-time quantum Monte Carlo technique, which is a numerically exact stochastic method, and find excellent agreement with the numerical renormalization group results. We show that the origin of the unconventional behavior in this model is the odd-symmetry "dark state" on the dots.
Ground-state electronic structure of actinide monocarbides and mononitrides
DEFF Research Database (Denmark)
Petit, Leon; Svane, Axel; Szotek, Z.
2009-01-01
The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of the actinide ions in the actinide monocarbides, AC (A=U,Np,Pu,Am,Cm), and the actinide mononitrides, AN. The electronic structure is characterized by a gradually increa...
A Ground State Tri-pí-Methane Rearrangement
Czech Academy of Sciences Publication Activity Database
Zimmerman, H. E.; Církva, Vladimír; Jiang, L.
2000-01-01
Roč. 41, č. 49 (2000), s. 9585-9587 ISSN 0040-4039 Institutional research plan: CEZ:AV0Z4072921 Keywords : tri-pi-methane * ground state Subject RIV: CC - Organic Chemistry Impact factor: 2.558, year: 2000
Calculations of the ground state of 16O
International Nuclear Information System (INIS)
Pieper, S.C.
1989-01-01
One of the central problems in nuclear physics is the description of nuclei as systems of nucleons interacting via realistic potentials. There are two main aspects of this problem: specification of the Hamiltonian, and calculation of the ground states of nuclei with the given interaction. Realistic interactions must contain both two- and three-nucleon potentials and these potentials have a complicated non-central operator structure consisting, for example, of spin, isospin and tensor dependences. This structure results in formidable many-body problems in the computation of the ground states of nuclei. At present, reliable solutions of the Faddeev equations for the A = 3 nuclei with such interactions are routine. Recently, Carlson has made an essentially exact GFMC calculation of the He ground state using just a two-nucleon interaction, and there are reliable variational calculations for more complete potential models. Nuclear matter calculations can also be made with reasonable reliability. However, there have been very few calculations of nuclei with A > 5 using realistic interactions, and none with a modern three-nucleon interaction. In the present paper I present a new technique for variational calculations for such nuclei and apply it to the ground state of 16 O. 15 refs., 2 figs., 3 tabs
Ground state energy of a polaron in a superlattice
International Nuclear Information System (INIS)
Mensah, S.Y.; Allotey, F.K.A.; Nkrumah, G.; Mensah, N.G.
2000-10-01
The ground state energy of a polaron in a superlattice was calculated using the double-time Green functions. The effective mass of the polaron along the planes perpendicular to the superlattice axis was also calculated. The dependence of the ground state energy and the effective mass along the planes perpendicular to the superlattice axis on the electron-phonon coupling constant α and on the superlattice parameters (i.e. the superlattice period d and the bandwidth Δ) were studied. It was observed that if an infinite square well potential is assumed, the ground state energy of the polaron decreases (i.e. becomes more negative) with increasing α and d, but increases with increasing Δ. For small values of α, the polaron ground state energy varies slowly with Δ, becoming approximately constant for large Δ. The effective mass along the planes perpendicular to the superlattice axis was found to be approximately equal to the mass of an electron for all typical values of α, d and Δ. (author)
Observation of Hyperfine Transitions in Trapped Ground-State Antihydrogen
Olin, Arthur
2015-01-01
This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4~parts~in~$10^3$. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.
Search for C+ C clustering in Mg ground state
Indian Academy of Sciences (India)
2017-01-04
Jan 4, 2017 ... Finite-range knockout theory predictions were much larger for (12C,212C) reaction, indicating a very small 12C−12C clustering in 24Mg. (g.s.) . Our present results contradict most of the proposed heavy cluster (12C+12C) structure models for the ground state of 24Mg. Keywords. Direct nuclear reactions ...
α-clustering in the ground state of 40Ca
International Nuclear Information System (INIS)
Michel, F.
1976-01-01
The anomalous large angle scattering observed in 40 Ca(α, α) is studied in the frame of a semi-microscopic model taking into account the presence of α-correlations in the ground state of 40 Ca. The calculations, performed between 18 and 29 MeV, assert the potential, non resonant nature of the phenomenon. (Auth.)
Ground states of the massless Derezinski-Gerard model
International Nuclear Information System (INIS)
Ohkubo, Atsushi
2009-01-01
We consider the massless Derezinski-Gerard model introduced by Derezinski and Gerard in 1999. We give a sufficient condition for the existence of a ground state of the massless Derezinski-Gerard model without the assumption that the Hamiltonian of particles has compact resolvent.
Magnetic excitons in singlet-ground-state ferromagnets
DEFF Research Database (Denmark)
Birgeneau, R.J.; Als-Nielsen, Jens Aage; Bucher, E.
1971-01-01
The authors report measurements of the dispersion of singlet-triplet magnetic excitons as a function of temperature in the singlet-ground-state ferromagnets fcc Pr and Pr3Tl. Well-defined excitons are observed in both the ferromagnetic and paramagnetic regions, but with energies which are nearly...
Correlation induced paramagnetic ground state in FeAl
Czech Academy of Sciences Publication Activity Database
Mohn, P.; Persson, C.; Blaha, P.; Schwarz, K.; Novák, Pavel; Eschrig, H.
2001-01-01
Roč. 87, č. 19 (2001), s. 196401-1-196401-4 ISSN 0031-9007 Institutional research plan: CEZ:AV0Z1010914 Keywords : FeAl * paramagnetic ground state Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 6.668, year: 2001
Observation of hyperfine transitions in trapped ground-state antihydrogen
Energy Technology Data Exchange (ETDEWEB)
Collaboration: A. Olin for the ALPHA Collaboration
2015-08-15
This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4 parts in 10{sup 3}. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.
Antiferrodistortive phase transitions and ground state of PZT ceramics
International Nuclear Information System (INIS)
Pandey, Dhananjai
2013-01-01
The ground state of the technologically important Pb(Zr x Ti (1-x) )O 3 , commonly known as PZT, ceramics is currently under intense debate. The phase diagram of this material shows a morphotropic phase boundary (MPB) for x∼0.52 at 300K, across which a composition induced structural phase transition occurs leading to maximization of the piezoelectric properties. In search for the true ground state of the PZT in the MPB region, Beatrix Noheda and coworkers first discovered a phase transition from tetragonal (space group P4mm) to an M A type monoclinic phase (space group Cm) at low temperatures for x=0.52. Soon afterwards, we discovered yet another low temperature phase transition for the same composition in which the M A type (Cm) monoclinic phase transforms to another monoclinic phase with Cc space group. We have shown that the Cm to Cc phase transition is an antiferrodistortive (AFD) transition involving tilting of oxygen octahedra leading to unit cell doubling and causing appearance of superlattice reflections which are observable in the electron and neutron diffraction patterns only and not in the XRD patterns, as a result of which Noheda and coworkers missed the Cc phase in their synchrotron XRD studies at low temperatures. Our findings were confirmed by leading groups using neutron, TEM, Raman and high pressure diffraction studies. The first principles calculations also confirmed that the true ground state of PZT in the MPB region has Cc space group. However, in the last couple of years, the Cc space group of the ground state has become controversial with an alternative proposal of R3c as the space group of the ground state phase which is proposed to coexist with the metastable Cm phase. In order to resolve this controversy, we recently revisited the issue using pure PZT and 6% Sr 2+ substituted PZT, the latter samples show larger tilt angle on account of the reduction in the average cationic radius at the Pb 2+ site. Using high wavelength neutrons and high
Coherent-state representation for the QCD ground state
International Nuclear Information System (INIS)
Celenza, L.S.; Ji, C.; Shakin, C.M.
1987-01-01
We make use of the temporal gauge to construct a coherent state which is meant to describe the gluon condensate in the QCD vacuum under the assumption that the condensate is in a zero-momentum mode. The state so constructed is a color singlet and will yield finite, nonperturbative vacuum expectation values such as . (This matrix element is found to have a value of about 0.012 GeV 4 in QCD sum-rule studies.)
Texture segregation, surface representation and figure-ground separation.
Grossberg, S; Pessoa, L
1998-09-01
A widespread view is that most texture segregation can be accounted for by differences in the spatial frequency content of texture regions. Evidence from both psychophysical and physiological studies indicate, however, that beyond these early filtering stages, there are stages of 3-D boundary segmentation and surface representation that are used to segregate textures. Chromatic segregation of element-arrangement patterns--as studied by Beck and colleagues--cannot be completely explained by the filtering mechanisms previously employed to account for achromatic segregation. An element arrangement pattern is composed of two types of elements that are arranged differently in different image regions (e.g. vertically on top and diagonally on the bottom). FACADE theory mechanisms that have previously been used to explain data about 3-D vision and figure-ground separation are here used to simulate chromatic texture segregation data, including data with equiluminant elements on dark or light homogeneous backgrounds, or backgrounds composed of vertical and horizontal dark or light stripes, or horizontal notched stripes. These data include the fact that segregation of patterns composed of red and blue squares decreases with increasing luminance of the interspaces. Asymmetric segregation properties under 3-D viewing conditions with the equiluminant elements close or far are also simulated. Two key model properties are a spatial impenetrability property that inhibits boundary grouping across regions with non-collinear texture elements and a boundary-surface consistency property that uses feedback between boundary and surface representations to eliminate spurious boundary groupings and separate figures from their backgrounds.
Application of surface geophysics to ground-water investigations
Zohdy, Adel A.R.; Eaton, Gordon P.; Mabey, Don R.
1974-01-01
This manual reviews the standard methods of surface geophysics applicable to ground-water investigations. It covers electrical methods, seismic and gravity methods, and magnetic methods. The general physical principles underlying each method and its capabilities and limitations are described. Possibilities for non-uniqueness of interpretation of geophysical results are noted. Examples of actual use of the methods are given to illustrate applications and interpretation in selected geohydrologic environments. The objective of the manual is to provide the hydrogeologist with a sufficient understanding of the capabilities, imitations, and relative cost of geophysical methods to make sound decisions as to when to use of these methods is desirable. The manual also provides enough information for the hydrogeologist to work with a geophysicist in designing geophysical surveys that differentiate significant hydrogeologic changes.
Radionuclide transfer onto ground surface in surface water flow. 2. Undisturbed tuff rock
International Nuclear Information System (INIS)
Mukai, Masayuki; Takebe, Shinichi; Komiya, Tomokazu
1994-09-01
Radionuclide migration with ground surface water flow is considered to be one of path ways in the scenario for environmental migration of the radionuclide leaked from LLRW depository. To study the radionuclide migration demonstratively, a ground surface radionuclide migration test was carried out by simulating radioactive solution flowing on the sloped tuff rock surface. Tuff rock sample of 240 cm in length taken from the Shimokita district was used to test the transfer of 60 Co, 85 Sr and 137 Cs onto the sample surface from the flowing radioactive solution under restricted infiltration condition at flow rates of 25, 80, 160ml/min and duration of 56h. The concentration change of the radionuclides in effluent was nearly constant as a function of elapsed time during the experimental period, but decreased with lower flow rates. Among the three radionuclides, 137 Cs was greatly decreased its concentration to 30% of the inflow. Adsorbed distribution of the radionuclides concentration on the ground surface decreased gradually with the distance from the inlet, and showed greater gradient at lower flow rate. Analyzing the result by the migration model, where a vertical advection distribution and two-dimensional diffusion in surface water are adopted with a first order adsorption reaction, value of migration parameters was obtained relating to the radionuclide adsorption and the surface water flow, and the measured distribution could be well simulated by adopting the value to the model. By comparing the values with the case of loamy soil layer, all values of the migration parameters showed not so great difference between two samples for 60 Co and 85 Sr. For 137 Cs, reflecting a few larger value of adsorption to the tuff rock, larger ability to reduce the concentration of flowing radioactive solution could be indicated than that to the loamy soil surface by estimation for long flowed distance. (author)
Theory of quasiparticle surface states in semiconductor surfaces
International Nuclear Information System (INIS)
Hybertsen, M.S.; Louie, S.G.
1988-01-01
A first-principles theory of the quasiparticle surface-state energies on semiconductor surfaces is developed. The surface properties are calculated using a repeated-slab geometry. Many-body effects due to the electron-electron interaction are represented by the electron self-energy operator including the full surface Green's function and local fields and dynamical screening effects in the Coulomb interaction. Calculated surface-state energies for the prototypical Si(111):As and Ge(111):As surfaces are presented. The calculated energies and dispersions for the occupied surface states (resonances) are in excellent agreement with recent angle-resolved photoemission data. Predictions are made for the position of empty surface states on both surfaces which may be experimentally accessible. The resulting surface state gap at Gamma-bar for Si(111):As agrees with recent scanning-tunneling-spectroscopy measurements. Comparison of the present results to eigenvalues from the local-density-functional calculation reveals substantial corrections for the gaps between empty and occupied surface states. This correction is found to depend on the character of the surface states involved
Lorah, Michelle M.; Clark, Jeffrey S.
1996-01-01
Chemical manufacturing, munitions filling, and other military-support activities have resulted in the contamination of ground water, surface water, and soil in the Canal Creek area of Aberdeen Proving Ground, Maryland. Chlorinated volatile organic compounds, including 1,1,2,2-tetrachloroethane and trichloroethylene, are widespread ground-water contaminants in two aquifers that are composed of unconsolidated sand and gravel. Distribution and fate of chlorinated organic compounds in the ground water has been affected by the movement and dissolution of solvents in their dense immiscible phase and by microbial degradation under anaerobic conditions. Detection of volatile organic contaminants in adjacent surface water indicates that shallow contaminated ground water discharges to surface water. Semivolatile organic compounds, especially polycyclic aromatic hydrocarbons, are the most prevalent organic contaminants in soils. Various trace elements, such as arsenic, cadmium, lead, and zinc, were found in elevated concentrations in ground water, surface water, and soil. Simulations with a ground-water-flow model and particle tracker postprocessor show that, without remedial pumpage, the contaminants will eventually migrate to Canal Creek and Gunpowder River. Simulations indicate that remedial pumpage of 2.0 million gallons per day from existing wells is needed to capture all particles originating in the contaminant plumes. Simulated pumpage from offsite wells screened in a lower confined aquifer does not affect the flow of contaminated ground water in the Canal Creek area.
Cluster expansion for ground states of local Hamiltonians
Directory of Open Access Journals (Sweden)
Alvise Bastianello
2016-08-01
Full Text Available A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.
Nuclear quadrupole moment of the 99Tc ground state
International Nuclear Information System (INIS)
Errico, Leonardo; Darriba, German; Renteria, Mario; Tang Zhengning; Emmerich, Heike; Cottenier, Stefaan
2008-01-01
By combining first-principles calculations and existing nuclear magnetic resonance (NMR) experiments, we determine the quadrupole moment of the 9/2 + ground state of 99 Tc to be (-)0.14(3)b. This confirms the value of -0.129(20)b, which is currently believed to be the most reliable experimental determination, and disagrees with two earlier experimental values. We supply ab initio calculated electric-field gradients for Tc in YTc 2 and ZrTc 2 . If this calculated information would be combined with yet to be performed Tc-NMR experiments in these compounds, the error bar on the 99 Tc ground state quadrupole moment could be further reduced
Ground-state properties of a supersymmetric fermion chain
International Nuclear Information System (INIS)
Fendley, Paul; Hagendorf, Christian
2011-01-01
We analyze the ground state of a strongly interacting fermion chain with a supersymmetry. We conjecture a number of exact results, such as a hidden duality between weak and strong couplings. By exploiting a scale-free property of the perturbative expansions, we find exact expressions for the order parameters, yielding the critical exponents. We show that the ground state of this fermion chain and another model in the same universality class, the XYZ chain along a line of couplings, are both written in terms of the same polynomials. We demonstrate this explicitly for up to N = 24 sites and provide consistency checks for large N. These polynomials satisfy a recursion relation related to the Painlevé VI differential equation and, using a scale-free property of these polynomials, we derive a simple and exact formula for their N→∞ limit
Photoionization of furan from the ground and excited electronic states.
Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero
2016-02-28
Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.
Variational calculation for the ground state of 12C
International Nuclear Information System (INIS)
Consoni, L.H.A.; Coelho, H.T.; Das, T.K.
1983-01-01
A variational calculation is done for the ground state of a 3α-particle system. Two simple trial wavefunctions are used and results are compared with an exact calculation done by the Hyperspherical Harmonic method. A modifed Ali-Bodmer potential for the α-α interaction is considered for all calculations. It is found that these simple wave functions can be very useful for phenomenological calculations. (Author) [pt
Bethe ansatz study for ground state of Fateev Zamolodchikov model
International Nuclear Information System (INIS)
Ray, S.
1997-01-01
A Bethe ansatz study of a self-dual Z N spin lattice model, originally proposed by V. A. Fateev and A. B. Zamolodchikov, is undertaken. The connection of this model to the Chiral Potts model is established. Transcendental equations connecting the zeros of Fateev endash Zamolodchikov transfer matrix are derived. The free energies for the ferromagnetic and the anti-ferromagnetic ground states are found for both even and odd spins. copyright 1997 American Institute of Physics
Ground-state correlations within a nonperturbative approach
Czech Academy of Sciences Publication Activity Database
De Gregorio, G.; Herko, J.; Knapp, F.; Lo Iudice, N.; Veselý, Petr
2017-01-01
Roč. 95, č. 2 (2017), č. článku 024306. ISSN 2469-9985 R&D Projects: GA ČR GA13-07117S Institutional support: RVO:61389005 Keywords : ground state * harmonic oscillator frequency * space dimensions Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 3.820, year: 2016
Ground state solutions for non-local fractional Schrodinger equations
Directory of Open Access Journals (Sweden)
Yang Pu
2015-08-01
Full Text Available In this article, we study a time-independent fractional Schrodinger equation with non-local (regional diffusion $$ (-\\Delta^{\\alpha}_{\\rho}u + V(xu = f(x,u \\quad \\text{in }\\mathbb{R}^{N}, $$ where $\\alpha \\in (0,1$, $N > 2\\alpha$. We establish the existence of a non-negative ground state solution by variational methods.
Electronic and ground state properties of ThTe
Energy Technology Data Exchange (ETDEWEB)
Bhardwaj, Purvee, E-mail: purveebhardwaj@gmail.com; Singh, Sadhna, E-mail: drsadhna100@gmail.com [High Pressure Research Lab. Department of Physics Barkatullah University, Bhopal (MP) 462026 (India)
2016-05-06
The electronic properties of ThTe in cesium chloride (CsCl, B2) structure are investigated in the present paper. To study the ground state properties of thorium chalcogenide, the first principle calculations have been calculated. The bulk properties, including lattice constant, bulk modulus and its pressure derivative are obtained. The calculated equilibrium structural parameters are in good agreement with the available experimental and theoretical results.
Ground state energy values and moments of the anharmonic oscillator
International Nuclear Information System (INIS)
Seetharaman, M.; Raghavan, Sekhar; Subba Rao, G.
1981-01-01
It is shown that a very satisfactory estimate of the energy values (for all values of the anharmonicity) and moments of the ground state of the quartic anharmonic oscillator can be obtained in the variational method, by considering trial wavefunctions which have the correct asymptotic properties. The results derived with a single variational parameter are a considerable improvement over the recent results of C.A. Ginsburg and E.W. Montroll (1978). (author)
Ground states for light and heavy quark hadrons
Energy Technology Data Exchange (ETDEWEB)
Anderson, J T [Physics Dept., Philippines Univ., Manila (Philippines)
1994-01-01
According to de Rujula et al. if the degenerate multiplet masses are known then it is not necessary to parametrize the interactions. With degenerate multiplet masses calculated from the spinorial decomposition of the SU(2)xSU(2) part of the SU(6)xSU(6) symmetry, the ground states for 3, 4 and 5 quark hadrons are calculated in terms of the Cartan matrix integers n[sub [alpha
Ground state solutions for diffusion system with superlinear nonlinearity
Directory of Open Access Journals (Sweden)
Zhiming Luo
2015-03-01
where $z=(u,v\\colon\\mathbb{R}\\times\\mathbb{R}^{N}\\rightarrow\\mathbb{R}^{2}$, $b\\in C^{1}(\\mathbb{R}\\times\\mathbb{R}^{N}, \\mathbb{R}^{N}$ and $V(x\\in C(\\mathbb{R}^{N},\\mathbb{R}$. Under suitable assumptions on the nonlinearity, we establish the existence of ground state solutions by the generalized Nehari manifold method developed recently by Szulkin and Weth.
Surface states in an external electric field
International Nuclear Information System (INIS)
Steslicka, M.
1975-10-01
Under conditions typical for field ion microscopy, true surface states can exist. Their shift towards higher energies can be quite significant and, moreover, additional surface levels at still higher energies can appear. The latter can play an important role in the process of tunneling of image gas electrons into surface states
Kohn-Sham Theory for Ground-State Ensembles
International Nuclear Information System (INIS)
Ullrich, C. A.; Kohn, W.
2001-01-01
An electron density distribution n(r) which can be represented by that of a single-determinant ground state of noninteracting electrons in an external potential v(r) is called pure-state v -representable (P-VR). Most physical electronic systems are P-VR. Systems which require a weighted sum of several such determinants to represent their density are called ensemble v -representable (E-VR). This paper develops formal Kohn-Sham equations for E-VR physical systems, using the appropriate coupling constant integration. It also derives local density- and generalized gradient approximations, and conditions and corrections specific to ensembles
Generating Ground Reference Data for a Global Impervious Surface Survey
Tilton, James C.; deColstoun, Eric Brown; Wolfe, Robert E.; Tan, Bin; Huang, Chengquan
2012-01-01
either positive or negative examples, and displays a classification of the study area based on these examples. For our study, the positive examples are examples of impervious surfaces and negative examples are examples of non-impervious surfaces. HSegLearn searches the hierarchical segmentation from HSeg for the coarsest level of segmentation at which selected positive example locations do not conflict with negative example locations and labels the image accordingly. The negative example regions are always defined at the finest level of segmentation detail. The resulting classification map can be then further edited at a region object level using the previously developed HSegViewer tool [3]. After providing an overview of the HSeg image segmentation program, we provide a detailed description of the HSegLearn software tool. We then give examples of using HSegLearn to generate ground reference data and conclude with comments on the effectiveness of the HSegLearn tool.
Sideband cooling of micromechanical motion to the quantum ground state.
Teufel, J D; Donner, T; Li, Dale; Harlow, J W; Allman, M S; Cicak, K; Sirois, A J; Whittaker, J D; Lehnert, K W; Simmonds, R W
2011-07-06
The advent of laser cooling techniques revolutionized the study of many atomic-scale systems, fuelling progress towards quantum computing with trapped ions and generating new states of matter with Bose-Einstein condensates. Analogous cooling techniques can provide a general and flexible method of preparing macroscopic objects in their motional ground state. Cavity optomechanical or electromechanical systems achieve sideband cooling through the strong interaction between light and motion. However, entering the quantum regime--in which a system has less than a single quantum of motion--has been difficult because sideband cooling has not sufficiently overwhelmed the coupling of low-frequency mechanical systems to their hot environments. Here we demonstrate sideband cooling of an approximately 10-MHz micromechanical oscillator to the quantum ground state. This achievement required a large electromechanical interaction, which was obtained by embedding a micromechanical membrane into a superconducting microwave resonant circuit. To verify the cooling of the membrane motion to a phonon occupation of 0.34 ± 0.05 phonons, we perform a near-Heisenberg-limited position measurement within (5.1 ± 0.4)h/2π, where h is Planck's constant. Furthermore, our device exhibits strong coupling, allowing coherent exchange of microwave photons and mechanical phonons. Simultaneously achieving strong coupling, ground state preparation and efficient measurement sets the stage for rapid advances in the control and detection of non-classical states of motion, possibly even testing quantum theory itself in the unexplored region of larger size and mass. Because mechanical oscillators can couple to light of any frequency, they could also serve as a unique intermediary for transferring quantum information between microwave and optical domains.
Study of ground state optical transfer for ultracold alkali dimers
Bouloufa-Maafa, Nadia; Londono, Beatriz; Borsalino, Dimitri; Vexiau, Romain; Mahecha, Jorge; Dulieu, Olivier; Luc-Koenig, Eliane
2013-05-01
Control of molecular states by laser pulses offer promising potential applications. The manipulation of molecules by external fields requires precise knowledge of the molecular structure. Our motivation is to perform a detailed analysis of the spectroscopic properties of alkali dimers, with the aim to determine efficient optical paths to form molecules in the absolute ground state and to determine the optimal parameters of the optical lattices where those molecules are manipulated to avoid losses by collisions. To this end, we use state of the art molecular potentials, R-dependent spin-orbit coupling and transition dipole moment to perform our calculations. R-dependent SO coupling are of crucial importance because the transitions occur at internuclear distances where they are affected by this R-dependence. Efficient schemes to transfer RbCs, KRb and KCs to the absolute ground state as well as the optimal parameters of the optical lattices will be presented. This work was supported in part by ``Triangle de la Physique'' under contract 2008-007T-QCCM (Quantum Control of Cold Molecules).
Energy of ground state of laminar electron-hole liquid
International Nuclear Information System (INIS)
Andryushin, E.A.
1976-01-01
The problem of a possible existence of metal electron-hole liquid in semiconductors is considered. The calculation has been carried out for the following model: two parallel planes are separated with the distance on one of the planes electrons moving, on the other holes doing. Transitions between the planes are forbidden. The density of particles for both planes is the same. The energy of the ground state and correlation functions for such electron-and hole system are calculated. It is shown that the state of a metal liquid is more advantageous against the exciton gas. For the mass ratio of electrons and holes, msub(e)/msub(h) → 0 a smooth rearrangement of the system into a state with ordered heavy particles is observed
Symmetry Breakdown in Ground State Dissociation of HD+
International Nuclear Information System (INIS)
Ben-Itzhak, I.; Wells, E.; Carnes, K. D.; Krishnamurthi, Vidhya; Weaver, O. L.; Esry, B. D.
2000-01-01
Experimental studies of the dissociation of the electronic ground state of HD + following ionization of HD by fast proton impact indicate that the H + +D 1s dissociation channel is more likely than the H1s+D + dissociation channel by about 7% . This isotopic symmetry breakdown is due to the finite nuclear mass correction to the Born-Oppenheimer approximation which makes the 1sσ state 3.7 meV lower than the 2pσ state at the dissociation limit. The measured fractions of the two dissociation channels are in agreement with coupled-channels calculations of 1sσ to 2pσ transitions. (c) 2000 The American Physical Society
Ground state energies from converging and diverging power series expansions
International Nuclear Information System (INIS)
Lisowski, C.; Norris, S.; Pelphrey, R.; Stefanovich, E.; Su, Q.; Grobe, R.
2016-01-01
It is often assumed that bound states of quantum mechanical systems are intrinsically non-perturbative in nature and therefore any power series expansion methods should be inapplicable to predict the energies for attractive potentials. However, if the spatial domain of the Schrödinger Hamiltonian for attractive one-dimensional potentials is confined to a finite length L, the usual Rayleigh–Schrödinger perturbation theory can converge rapidly and is perfectly accurate in the weak-binding region where the ground state’s spatial extension is comparable to L. Once the binding strength is so strong that the ground state’s extension is less than L, the power expansion becomes divergent, consistent with the expectation that bound states are non-perturbative. However, we propose a new truncated Borel-like summation technique that can recover the bound state energy from the diverging sum. We also show that perturbation theory becomes divergent in the vicinity of an avoided-level crossing. Here the same numerical summation technique can be applied to reproduce the energies from the diverging perturbative sums.
Ground state energies from converging and diverging power series expansions
Energy Technology Data Exchange (ETDEWEB)
Lisowski, C.; Norris, S.; Pelphrey, R.; Stefanovich, E., E-mail: eugene-stefanovich@usa.net; Su, Q.; Grobe, R.
2016-10-15
It is often assumed that bound states of quantum mechanical systems are intrinsically non-perturbative in nature and therefore any power series expansion methods should be inapplicable to predict the energies for attractive potentials. However, if the spatial domain of the Schrödinger Hamiltonian for attractive one-dimensional potentials is confined to a finite length L, the usual Rayleigh–Schrödinger perturbation theory can converge rapidly and is perfectly accurate in the weak-binding region where the ground state’s spatial extension is comparable to L. Once the binding strength is so strong that the ground state’s extension is less than L, the power expansion becomes divergent, consistent with the expectation that bound states are non-perturbative. However, we propose a new truncated Borel-like summation technique that can recover the bound state energy from the diverging sum. We also show that perturbation theory becomes divergent in the vicinity of an avoided-level crossing. Here the same numerical summation technique can be applied to reproduce the energies from the diverging perturbative sums.
Topological surface states scattering in antimony
Narayan, Awadhesh; Rungger, Ivan; Sanvito, Stefano
2012-01-01
In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.
Topological surface states scattering in antimony
Narayan, Awadhesh
2012-11-05
In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.
Ground-State Structures of Ice at High-Pressures
McMahon, Jeffrey M.
2011-01-01
\\textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three novel crystal phases. The underlying sub-lattice of O atoms remains similar among them, and the transitions can be characterized by reorganizations of the hydrogen bonds. The symmetric hydrogen bonds of ice X and $Pbcm$ are initially lost as ice transforms to s...
Spectroscopic factor of the 7He ground state
International Nuclear Information System (INIS)
Beck, F.; Frekers, D.; Neumann-Cosel, P. von; Richter, A.; Ryezayeva, N.; Thompson, I.J.
2007-01-01
The neutron spectroscopic factor S n of the 7 He ground state is extracted from an R-matrix analysis of a recent measurement of the 7 Li(d, 2 He) 7 He reaction with good energy resolution. The width extracted from a deconvolution of the spectrum is Γ=183(22) keV (full width at half maximum, FWHM). The result S n =0.64(9) is slightly larger than predictions of recent 'ab initio' Green's function Monte Carlo and fermionic molecular dynamics calculations
Variational Monte Carlo calculations of nuclear ground states
International Nuclear Information System (INIS)
Wiringa, R.B.
1990-01-01
A major goal in nuclear physics is to understand how nuclear structure comes about from the underlying interactions between nucleons. This requires modelling nuclei as collections of strongly interacting nucleons. We start with realistic nucleon-nucleon potentials, supplemented with consistent three-nucleon potentials and two-body electroweak current operators, and try to predict nuclear ground properties, such as the binding energy, density and momentum distributions, and electromagnetic form factors. We also seek to predict other properties of nuclei such as excited states and low-energy reactions. 21 refs., 14 figs., 5 tabs
Electron scattering from the ground state of mercury
International Nuclear Information System (INIS)
Fursa, D.; Bray, I.
2000-01-01
Full text: Close-coupling calculations have been performed for electron scattering from the ground state of mercury. We have used non-relativistic convergent close-coupling computer code with only minor modifications in order to account for the most prominent relativistic effects. These are the relativistic shift effect and singlet-triplet mixing. Very good agreement with measurements of differential cross sections for elastic scattering and excitation of 6s6p 1 P state at all energies is obtained. It is well recognised that a consistent approach to electron scattering from heavy atoms (like mercury, with nuclear charge Z=80) must be based on a fully relativistic Dirac equations based technique. While development of such technique is under progress in our group, the complexity of the problem ensures that results will not be available in the near future. On other hand, there is considerable interest in reliable theoretical results for electron scattering from heavy atoms from both applications and the need to interpret existing experimental data. This is particularly the case for mercury, which is the major component in fluorescent lighting devices and has been the subject of intense experimental study since nineteen thirties. Similarly to our approach for alkaline-earth atoms we use a model of two valence electrons above an inert Hartree-Fock core to describe the mercury atom. Note that this model does not account for any core excited states which are present in the mercury discrete spectrum. The major effect of missing core-excited states is substantial underestimation of the static dipole polarizability of the mercury ground state (34 a.u.) and consequent underestimation of the forward scattering elastic cross sections. We correct for this by adding in the scattering calculations a phenomenological polarization potential. In order to obtain correct ground state ionization energy for mercury one has to account for the relativistic shift effect. We model this
Cluster decay of Ba isotopes from ground state and as an excited ...
Indian Academy of Sciences (India)
otherwise, inclusion of excitation energy decreases the T1/2 values. ... penetrates the nuclear barrier and reaches scission configuration after running .... between the ground-state energy levels of the parent nuclei and the ground-state energy.
Centrifugal stretching along the ground state band of 168Hf
International Nuclear Information System (INIS)
Costin, A.; Pietralla, N.; Reese, M.; Moeller, O.; Ai, H.; Casten, R. F.; Heinz, A.; McCutchan, E. A.; Meyer, D. A.; Qian, J.; Werner, V.; Dusling, K.; Fitzpatrick, C. R.; Guerdal, G.; Petkov, P.; Rainovski, G.
2009-01-01
The lifetimes of the J π =4 + , 6 + , 8 + , and 10 + levels along the ground state band in 168 Hf were measured by means of the recoil distance Doppler shift (RDDS) method using the New Yale Plunger Device (NYPD) and the SPEEDY detection array at Wright Nuclear Structure Laboratory of Yale University. Excited states in 168 Hf were populated using the 124 Sn( 48 Ti,4n) fusion evaporation reaction. The new lifetime values are sufficiently precise to clearly prove the increase of quadrupole deformation as a function of angular momentum in the deformed nucleus 168 Hf. The data agree with the predictions from the geometrical confined β-soft (CBS) rotor model that involves centrifugal stretching in a soft potential
Line list for the ground state of CaF
Hou, Shilin; Bernath, Peter F.
2018-05-01
The molecular potential energy function and electronic dipole moment function for the ground state of CaF were studied with MRCI, ACPF, and RCCSD(T) ab initio calculations. The RCCSD(T) potential function reproduces the experimental vibrational intervals to within ∼2 cm-1. The RCCSD(T) dipole moment at the equilibrium internuclear separation agrees well with the experimental value. Over a wide range of internuclear separations, far beyond the range associated with the observed spectra, the ab initio dipole moment functions are similar and highly linear. An extended Morse oscillator (EMO) potential function was also obtained by fitting the observed lines of the laboratory vibration-rotation and pure rotation spectra of the 40CaF X2Σ+ ground state. The fitted potential reproduces the observed transitions (v ≤ 8, N ≤ 121, Δv = 0, 1) within their experimental uncertainties. With this EMO potential and the RCCSD(T) dipole moment function, line lists for 40CaF, 42CaF, 43CaF, 44CaF, 46CaF, and 48CaF were computed for v ≤ 10, N ≤ 121, Δv = 0-10. The calculated emission spectra are in good agreement with an observed laboratory spectrum of CaF at a sample temperature of 1873 K.
A new representation for ground states and its Legendre transforms
International Nuclear Information System (INIS)
Cedillo, A.
1994-01-01
The ground-state energy of an electronic system is a functional of the number of electrons (N) and the external potential (v): E = E(N,V), this is the energy representation for ground states. In 1982, Nalewajski defined the Legendre transforms of this representation, taking advantage of the strict concavity of E with respect to their variables (concave respect v and convex respect N), and he also constructed a scheme for the reduction of derivatives of his representations. Unfortunately, N and the electronic density (p) were the independent variables of one of these representations, but p depends explicitly on N. In this work, this problem is avoided using the energy per particle (ε) as the basic variables, and the Legendre transformations can be defined. A procedure for the reduction of derivatives is generated for the new four representations and, in contrast to the Nalewajski's procedure, it only includes derivatives of the four representations. Finally, the reduction of derivatives is used to test some relationships between the hardness and softness kernels
Ground state analysis of magnetic nanographene molecules with modified edge
International Nuclear Information System (INIS)
Gorjizadeh, Narjes; Ota, Norio; Kawazoe, Yoshiyuki
2013-01-01
Highlights: ► Graphene molecules can become ferromagnetic by edge modifications. ► Dihydrogenation of one zigzag edge of rectangular flakes make them ferromagnetic. ► Triangular flakes become high-spin state by dehydrogenization of one zigzag edge. - Abstract: We study spin states of edge modified nanographene molecules with rectangular and triangular shapes by first principle calculations using density functional theory (DFT) and Hartree–Fock (HF) methods with Møller–Plesset (MP) correlation energy correction at different levels. Anthracene (C 14 H 10 ) and phenalenyl (C 13 H 9 ), which contain three benzene rings combined in two different ways, can be considered as fragments of a graphene sheet. Carbon-based ferromagnetic materials are of great interest both in fundamental science and technological potential in organic spintronics devices. We show that non-magnetic rectangular molecules such as C 14 H 10 can become ferromagnetic with high-spin state as the ground state by dihydrogenization of one of the zigzag edges, while triangular molecules such as C 13 H 9 become ferromagnetic with high-spin state by dehydrogenization of one of the zigzag edges
Protection of surface states in topological nanoparticles
Siroki, Gleb; Haynes, Peter D.; Lee, Derek K. K.; Giannini, Vincenzo
2017-07-01
Topological insulators host protected electronic states at their surface. These states show little sensitivity to disorder. For miniaturization one wants to exploit their robustness at the smallest sizes possible. This is also beneficial for optical applications and catalysis, which favor large surface-to-volume ratios. However, it is not known whether discrete states in particles share the protection of their continuous counterparts in large crystals. Here we study the protection of the states hosted by topological insulator nanoparticles. Using both analytical and tight-binding simulations, we show that the states benefit from the same level of protection as those on a planar surface. The results hold for many shapes and sustain surface roughness which may be useful in photonics, spectroscopy, and chemistry. They complement past studies of large crystals—at the other end of possible length scales. The protection of the nanoparticles suggests that samples of all intermediate sizes also possess protected states.
Electron spectroscopy of nanodiamond surface states
Energy Technology Data Exchange (ETDEWEB)
Belobrov, P.I.; Bursill, L.A.; Maslakov, K.I.; Dementjev, A.P
2003-06-15
Electronic states of nanodiamond (ND) were investigated by PEELS, XPS and CKVV Auger spectra. Parallel electron energy loss spectra (PEELS) show that the electrons inside of ND particles are sp{sup 3} hybridized but there is a surface layer containing distinct hybridized states. The CKVV Auger spectra imply that the HOMO of the ND surface has a shift of 2.5 eV from natural diamond levels of {sigma}{sub p} up to the Fermi level. Hydrogen (H) treatment of natural diamond surface produces a chemical state indistinguishable from that of ND surfaces using CKVV. The ND electronic structure forms {sigma}{sub s}{sup 1}{sigma}{sub p}{sup 2}{pi}{sup 1} surface states without overlapping of {pi}-levels. Surface electronic states, including surface plasmons, as well as phonon-related electronic states of the ND surface are also interesting and may also be important for field emission mechanisms from the nanostructured diamond surface.
The relation between the (N) and (N-1) electrons atomic ground state
International Nuclear Information System (INIS)
Briet, P.
1984-05-01
The relation between the ground state of an N and (N-1) electrons atomic system are studied. We show that in some directions of the configuration space, the ratio of the N electrons atomic ground state to the one particle density is asymptotically equivalent to the (N-1) electrons atomic ground state
Normal ground state of dense relativistic matter in a magnetic field
International Nuclear Information System (INIS)
Gorbar, E. V.; Miransky, V. A.; Shovkovy, I. A.
2011-01-01
The properties of the ground state of relativistic matter in a magnetic field are examined within the framework of a Nambu-Jona-Lasinio model. The main emphasis of this study is the normal ground state, which is realized at sufficiently high temperatures and/or sufficiently large chemical potentials. In contrast to the vacuum state, which is characterized by the magnetic catalysis of chiral symmetry breaking, the normal state is accompanied by the dynamical generation of the chiral shift parameter Δ. In the chiral limit, the value of Δ determines a relative shift of the longitudinal momenta (along the direction of the magnetic field) in the dispersion relations of opposite chirality fermions. We argue that the chirality remains a good approximate quantum number even for massive fermions in the vicinity of the Fermi surface and, therefore, the chiral shift is expected to play an important role in many types of cold dense relativistic matter, relevant for applications in compact stars. The qualitative implications of the revealed structure of the normal ground state on the physics of protoneutron stars are discussed. A noticeable feature of the Δ parameter is that it is insensitive to temperature when T 0 , where μ 0 is the chemical potential, and increases with temperature for T>μ 0 . The latter implies that the chiral shift parameter is also generated in the regime relevant for heavy ion collisions.
Magnetic ground states in nanocuboids of cubic magnetocrystalline anisotropy
Energy Technology Data Exchange (ETDEWEB)
Bonilla, F.J., E-mail: fbonilla@cicenergigune.com; Lacroix, L.-M.; Blon, T., E-mail: thomas.blon@insa-toulouse.fr
2017-04-15
Flower and easy-axis vortex states are well-known magnetic configurations that can be stabilized in small particles. However, <111> vortex (V<111>), i.e. a vortex state with its core axis along the hard-axis direction, has been recently evidenced as a stable configuration in Fe nanocubes of intermediate sizes in the flower/vortex transition. In this context, we present here extensive micromagnetic simulations to determine the different magnetic ground states in ferromagnetic nanocuboids exhibiting cubic magnetocrystalline anisotropy (MCA). Focusing our study in the single-domain/multidomain size range (10–50 nm), we showed that V<111> is only stable in nanocuboids exhibiting peculiar features, such as a specific size, shape and magnetic environment, contrarily to the classical flower and easy-axis vortex states. Thus, to track experimentally these V<111> states, one should focused on (i) nanocuboids exhibiting a nearly perfect cubic shape (size distorsion <12%) made of (ii) a material which combines a zero or positive MCA and a high saturation magnetization, such as Fe or FeCo; and (iii) a low magnetic field environment, V<111> being only observed in virgin or remanent states. - Highlights: • The <111> vortex is numerically determined in nanocubes of cubic anisotropy. • It constitutes an intermediate state in the single-domain limit. • Such a vortex can only be stabilized in perfect or slightly deformed nanocuboids. • It exists in nanocuboids made of materials with zero or positive cubic anisotropy. • The associated magnetization reversal is described by a rotation of the vortex axis.
The Ground State Energy of a Dilute Bose Gas in Dimension $n\\geq 3$
DEFF Research Database (Denmark)
Aaen, Anders Gottfred
We consider a Bose gas in spatial dimension n≥3 with a repulsive, radially symmetric two-body potential V. In the limit of low density ρ, the ground state energy per particle in the thermodynamic limit is shown to be (n−2)|Sn−1|an−2ρ, where |Sn−1| denotes the surface measure of the unit sphere...... in Rn, and a is the scattering length of V. Furthermore, for smooth and compactly supported two-body potentials, we derive an upper bound to the ground state energy with a correction term (1+γ)8π4a6ρ2|ln(a4ρ)| in 4 dimensions, where 0... dimensions. Finally, we use a grand canonical construction to give a simplified proof of the second order upper bound to the Lee-Huang-Yang formula, a result first obtained by Yau and Yin. We also test this method in 4 dimensions, but with a negative outcome....
Empirical recurrence rates for ground motion signals on planetary surfaces
Lorenz, Ralph D.; Panning, Mark
2018-03-01
We determine the recurrence rates of ground motion events as a function of sensed velocity amplitude at several terrestrial locations, and make a first interplanetary comparison with measurements on the Moon, Mars, Venus and Titan. This empirical approach gives an intuitive order-of-magnitude guide to the observed ground motion (including both tectonic and ocean- and atmosphere-forced signals) of these locations as a guide to instrument expectations on future missions, without invoking interior models and specific sources: for example a Venera-14 observation of possible ground motion indicates a microseismic environment mid-way between noisy and quiet terrestrial locations. Quiet terrestrial regions see a peak velocity amplitude in mm/s roughly equal to 0.3*N(-0.7), where N is the number of "events" (half-hour intervals in which a given peak ground motion is exceeded) observed per year. The Apollo data show endogenous seismic signals for a given recurrence rate that are typically about 10,000 times smaller in amplitude than a quiet site on Earth, although local thermally-induced moonquakes are much more common. Viking data masked for low-wind periods appear comparable with a quiet terrestrial site, whereas a Venera observation of microseisms suggests ground motion more similar to a more active terrestrial location. Recurrence rate plots from in-situ measurements provide a context for seismic instrumentation on future planetary missions, e.g. to guide formulation of data compression schemes. While even small geophones can discriminate terrestrial activity rates, observations with guidance accelerometers are typically too insensitive to provide meaningful constraints (i.e. a non-zero number of "events") on actual ground motion observations unless operated for very long periods.
Ground state configurations in antiferromagnetic ultrathin films with dipolar anisotropy
International Nuclear Information System (INIS)
León, H.
2013-01-01
The formalism developed in a previous work to calculate the dipolar energy in quasi-two-dimensional crystals with ferromagnetic order is now extended to collinear antiferromagnetic order. Numerical calculations of the dipolar energy are carried out for systems with tetragonally distorted fcc [001] structures, the case of NiO and MnO ultrathin film grown in non-magnetic substrates, where the magnetic phase is a consequence of superexchange and dipolar interactions. The employed approximation allows to demonstrate that dipolar coupling between atomic layers is responsible for the orientation of the magnetization when it differs from the one in a single layer. The ground state energy of a given NiO or MnO film is found to depend not only on the strain, but also on how much the interlayer separation and the 2D lattice constant are changed with respect to the ideal values corresponding to the non-distorted cubic structure. Nevertheless, it is shown that the orientation of the magnetization in the magnetic phase of any of these films is determined by the strain exclusively. A striped phase with the magnetization along the [112 ¯ ] direction appears as the ground state configuration of NiO and MnO ultrathin films. In films with equally oriented stripes along the layers this magnetic phase is twofold degenerate, while in films with multidomain layers it is eightfold degenerate. These results are not in contradiction with experimentally observed out-of-plane or in-plane magnetization of striped phases in NiO and MnO ultrathin films. - Highlights: ► Dipolar energy in collinear antiferromagnetic ultrathin films is calculated. ► Numerical results are presented for distorted fcc [001] structures. ► The lowest energy of a system depends on how the tetragonal distortion is achieved. ► A striped phase with magnetization in the [112 ¯ ] direction is the ground state. ► In multidomain NiO and MnO films it is eightfold degenerate.
Topological surface states in nodal superconductors.
Schnyder, Andreas P; Brydon, Philip M R
2015-06-24
Topological superconductors have become a subject of intense research due to their potential use for technical applications in device fabrication and quantum information. Besides fully gapped superconductors, unconventional superconductors with point or line nodes in their order parameter can also exhibit nontrivial topological characteristics. This article reviews recent progress in the theoretical understanding of nodal topological superconductors, with a focus on Weyl and noncentrosymmetric superconductors and their protected surface states. Using selected examples, we review the bulk topological properties of these systems, study different types of topological surface states, and examine their unusual properties. Furthermore, we survey some candidate materials for topological superconductivity and discuss different experimental signatures of topological surface states.
Stability of quantum-dot excited-state laser emission under simultaneous ground-state perturbation
Energy Technology Data Exchange (ETDEWEB)
Kaptan, Y., E-mail: yuecel.kaptan@physik.tu-berlin.de; Herzog, B.; Schöps, O.; Kolarczik, M.; Woggon, U.; Owschimikow, N. [Institut für Optik und Atomare Physik, Technische Universität Berlin, Berlin (Germany); Röhm, A.; Lingnau, B.; Lüdge, K. [Institut für Theoretische Physik, Technische Universität Berlin, Berlin (Germany); Schmeckebier, H.; Arsenijević, D.; Bimberg, D. [Institut für Festkörperphysik, Technische Universität Berlin, Berlin (Germany); Mikhelashvili, V.; Eisenstein, G. [Technion Institute of Technology, Faculty of Electrical Engineering, Haifa (Israel)
2014-11-10
The impact of ground state amplification on the laser emission of In(Ga)As quantum dot excited state lasers is studied in time-resolved experiments. We find that a depopulation of the quantum dot ground state is followed by a drop in excited state lasing intensity. The magnitude of the drop is strongly dependent on the wavelength of the depletion pulse and the applied injection current. Numerical simulations based on laser rate equations reproduce the experimental results and explain the wavelength dependence by the different dynamics in lasing and non-lasing sub-ensembles within the inhomogeneously broadened quantum dots. At high injection levels, the observed response even upon perturbation of the lasing sub-ensemble is small and followed by a fast recovery, thus supporting the capacity of fast modulation in dual-state devices.
Mitigating ground vibration by periodic inclusions and surface structures
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard; Bucinskas, Paulius; Persson, Peter
2016-01-01
Ground vibration from traffic is a source of nuisance in urbanized areas. Trenches and wave barriers can provide mitigation of vibrations, but single barriers need to have a large depth to be effective-especially in the low-frequency range relevant to traffic-induced vibration. Alternatively...
Imaging of Ground Ice with Surface-Based Geophysics
2015-10-01
terrains. Electrical Resistivity Tomography (ERT), in particular, has been effective for imaging ground ice. ERT measures the ability of materials to...13 2.2.1 Electrical resistivity tomography (ERT...Engineer Research and Development Center ERT Electrical Resistivity Tomography GPS Global Positioning System LiDAR Light Detection and Ranging SIPRE
Wing in Ground Effect over a Wavy Surface
Directory of Open Access Journals (Sweden)
Valentin Adrian Jean BUTOESCU
2018-06-01
Full Text Available A vortex method has been used to investigate the effect of a wavy ground on the aerodynamic forces acting on a wing that flies in its proximity. The air is considered inviscid and incompressible. The problem is obviously unsteady, and the solutions were found numerically.
Liquid 4He: Modified LOCV ground-state energy calculations
International Nuclear Information System (INIS)
Skjetne, B.; Ostgaard, E.
1996-01-01
The ground-state energetics of liquid 4 He is studied in a constrained variational approach, where the significance of neglecting terms beyond second order in the cluster expansion is estimated in a crude way. An adjustment to the conditions of healing on the two-body correlation function excludes from the global average field the effects of pairwise clustering to higher orders. To this end, open-quotes virtualclose quotes particles beyond nearest neighbors are included in the average correlation volume. Results within the scope of such modifications are consistent with GFMC and QDMC calculations, falling within the range -7.25 ± 0.05 K when recent interaction models are used
Ground-state properties of neutron magic nuclei
Energy Technology Data Exchange (ETDEWEB)
Saxena, G., E-mail: gauravphy@gmail.com [Govt. Women Engineering College, Department of Physics (India); Kaushik, M. [Shankara Institute of Technology, Department of Physics (India)
2017-03-15
A systematic study of the ground-state properties of the entire chains of even–even neutron magic nuclei represented by isotones of traditional neutron magic numbers N = 8, 20, 40, 50, 82, and 126 has been carried out using relativistic mean-field plus Bardeen–Cooper–Schrieffer approach. Our present investigation includes deformation, binding energy, two-proton separation energy, single-particle energy, rms radii along with proton and neutron density profiles, etc. Several of these results are compared with the results calculated using nonrelativistic approach (Skyrme–Hartree–Fock method) along with available experimental data and indeed they are found with excellent agreement. In addition, the possible locations of the proton and neutron drip-lines, the (Z, N) values for the new shell closures, disappearance of traditional shell closures as suggested by the detailed analyzes of results are also discussed in detail.
Topographical Anisotropy and Wetting of Ground Stainless Steel Surfaces
Directory of Open Access Journals (Sweden)
Cornelia Bellmann
2012-12-01
Full Text Available Microscopic and physico-chemical methods were used for a comprehensive surface characterization of different mechanically modified stainless steel surfaces. The surfaces were analyzed using high-resolution confocal microscopy, resulting in detailed information about the topographic properties. In addition, static water contact angle measurements were carried out to characterize the surface heterogeneity of the samples. The effect of morphological anisotropy on water contact angle anisotropy was investigated. The correlation between topography and wetting was studied by means of a model of wetting proposed in the present work, that allows quantifying the air volume of the interface water drop-stainless steel surface.
Hanson, R.T.; Li, Zhen; Faunt, C.C.
2004-01-01
The Santa Clara Valley is a long, narrow trough extending about 35 miles southeast from the southern end of San Francisco Bay where the regional alluvial-aquifer system has been a major source of water. Intensive agricultural and urban development throughout the 20th century and related ground-water development resulted in ground-water-level declines of more than 200 feet and land subsidence of as much as 12.7 feet between the early 1900s and the mid-1960s. Since the 1960s, Santa Clara Valley Water District has imported surface water to meet growing demands and reduce dependence on ground-water supplies. This importation of water has resulted in a sustained recovery of the ground-water flow system. To help support effective management of the ground-water resources, a regional ground-water/surface-water flow model was developed. This model simulates the flow of ground water and surface water, changes in ground-water storage, and related effects such as land subsidence. A numerical ground-water/surface-water flow model of the Santa Clara Valley subbasin of the Santa Clara Valley was developed as part of a cooperative investigation with the Santa Clara Valley Water District. The model better defines the geohydrologic framework of the regional flow system and better delineates the supply and demand components that affect the inflows to and outflows from the regional ground-water flow system. Development of the model includes revisions to the previous ground-water flow model that upgraded the temporal and spatial discretization, added source-specific inflows and outflows, simulated additional flow features such as land subsidence and multi-aquifer wellbore flow, and extended the period of simulation through September 1999. The transient-state model was calibrated to historical surface-water and ground-water data for the period 197099 and to historical subsidence for the period 198399. The regional ground-water flow system consists of multiple aquifers that are grouped
Guidelines for earthquake ground motion definition for the eastern United States
International Nuclear Information System (INIS)
Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.
1985-01-01
Guidelines for the determination of earthquake ground-motion definition for the eastern United States are established in this paper. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large to great (M > 7.5) sized earthquakes have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes have been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data has been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the Safe Shutdown Earthquake, SSE. A new procedure for establishing the Operating Basis Earthquake, OBE, is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors. 17 refs., 2 figs., 1 tab
Effect of the ground state correlations in the density distribution and zero point fluctuations
International Nuclear Information System (INIS)
Barranco, F.; Broglia, R.A.
1985-01-01
The existence of collective vibrations in the spectrum implies that the description of the ground state in an independent particle model must be corrected. This is because of the zero point fluctuations induced by the collective vibrations, so that ground state correlations have to be included. These are taken into account via the diagrammatic expansion of the Nuclear Field Theory, giving place to a renormalization in the different properties of the ground state. As far as the density distribution is concerned, in a NFT consistent calculation, the largest contributions arise from diagrams that cannot be expressed in terms of backward going amplitudes of the phonon RPA wave function. For a given multipolarity the main correction comes from the low lying state. The giant resonance is of smaller relevance since it lies at larger energies in the response function. The octupole modes give the dominant contribution, and the effect in average becomes smaller as the multipolarity increases. These results agree quite well with those obtained taking into account the zero point fluctuations of the nuclear surface in the collective model with the Esbensen and Bertsch prescription, which the authors use to explain the anomalous behaviour of the mean square radii of the Calcium isotopes
Guidelines for earthquake ground motion definition for the Eastern United States
International Nuclear Information System (INIS)
Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.
1985-01-01
Guidelines for the determination of earthquake ground-motion definition for the eastern United States are established in this paper. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large to great (M > 7.5) sized earthquakes have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes have been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data has been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the Safe Shutdown Earthquake, SSE. A new procedure for establishing the Operating Basis Earthquake, OBE, is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors
Surface-bound states in nanodiamonds
Han, Peng; Antonov, Denis; Wrachtrup, Jörg; Bester, Gabriel
2017-05-01
We show via ab initio calculations and an electrostatic model that the notoriously low, but positive, electron affinity of bulk diamond becomes negative for hydrogen passivated nanodiamonds and argue that this peculiar situation (type-II offset with a vacuum level at nearly midgap) and the three further conditions: (i) a surface dipole with positive charge on the outside layer, (ii) a spherical symmetry, and (iii) a dielectric mismatch at the surface, results in the emergence of a peculiar type of surface state localized just outside the nanodiamond. These states are referred to as "surface-bound states" and have consequently a strong environmental sensitivity. These type of states should exist in any nanostructure with negative electron affinity. We further quantify the band offsets of different type of nanostructures as well as the exciton binding energy and contrast the results with results for "conventional" silicon quantum dots.
Near-ground cooling efficacies of trees and high-albedo surfaces
Energy Technology Data Exchange (ETDEWEB)
Levinson, Ronnen M. [Univ. of California, Berkeley, CA (United States). Dept. of Mechanical Engineering
1997-05-01
Daytime summer urban heat islands arise when the prevalence of dark-colored surfaces and lack of vegetation make a city warmer than neighboring countryside. Two frequently-proposed summer heat island mitigation measures are to plant trees and to increase the albedo (solar reflectivity) of ground surfaces. This dissertation examines the effects of these measures on the surface temperature of an object near the ground, and on solar heating of air near the ground. Near-ground objects include people, vehicles, and buildings. The variation of the surface temperature of a near-ground object with ground albedo indicates that a rise in ground albedo will cool a near-ground object only if the object`s albedo exceeds a critical value. This critical value of object albedo depends on wind speed, object geometry, and the height of the atmospheric thermal boundary layer. It ranges from 0.15 to 0.37 for a person. If an object has typical albedo of 0.3, increasing the ground albedo by.
Gravitational states of antihydrogen near material surface
Energy Technology Data Exchange (ETDEWEB)
Voronin, Alexei Yu., E-mail: dr.a.voronin@gmail.com [P.N. Lebedev Physical Institute (Russian Federation); Froelich, Piotr [Uppsala University, Department of Quantum Chemistry (Sweden); Nesvizhevsky, Valery V. [Institut Laue-Langevin (ILL) (France)
2012-12-15
We present a theoretical study of the motion of antihydrogen atoms in the Earth's gravitational field near a material surface. We predict the existence of long-living quasistationary states of antihydrogen in a superposition of the gravitational and Casimir-van der Waals potentials of the surface. We suggest an interferometric method of measuring the energy difference between such gravitational states, hence the gravitational mass of antihydrogen.
Structural instability and ground state of the U{sub 2}Mo compound
Energy Technology Data Exchange (ETDEWEB)
Losada, E.L., E-mail: losada@cab.cnea.gov.ar [SIM" 3, Centro Atómico Bariloche, Comisión Nacional de Energía Atómica (Argentina); Garcés, J.E. [Gerencia de Investigación y Aplicaciones Nucleares, Comisión Nacional de Energía Atómica (Argentina)
2015-11-15
This work reports on the structural instability at T = 0 °K of the U{sub 2}Mo compound in the C11{sub b} structure under the distortion related to the C{sub 66} elastic constant. The electronic properties of U{sub 2}Mo such as density of states (DOS), bands and Fermi surface (FS) are studied to understand the source of the instability. The C11{sub b} structure can be interpreted as formed by parallel linear chains along the z-directions each one composed of successive U–Mo–U blocks. Hybridization due to electronic interactions inside the U–Mo–U blocks is slightly modified under the D{sub 6} distortion. The change in distance between chains modifies the U–U interaction and produces a split of f-states. The distorted structure is stabilized by a decrease in energy of the hybridized states, mainly between d-Mo and f-U states, together with the f-band split. Consequently, an induced Peierls distortion is produced in U{sub 2}Mo due to the D{sub 6} distortion. It is important to note that the results of this work indicate that the structure of the ground state of the U{sub 2}Mo compound is not the assumed C11{sub b} structure. It is suggested for the ground state a structure with hexagonal symmetry (P6 #168), ∼0.1 mRy below the energy of the recently proposed Pmmn structure. - Highlights: • Structural instability of the C11b compound due to the D6 deformation. • Induced Peierls distortion due to the D6 deformation. • Distorted structure is stabilized by hybridization and split of f-Uranium state. • P6 (#168) suggested ground state for the U{sub 2}Mo compound.
Structural instability and ground state of the U_2Mo compound
International Nuclear Information System (INIS)
Losada, E.L.; Garcés, J.E.
2015-01-01
This work reports on the structural instability at T = 0 °K of the U_2Mo compound in the C11_b structure under the distortion related to the C_6_6 elastic constant. The electronic properties of U_2Mo such as density of states (DOS), bands and Fermi surface (FS) are studied to understand the source of the instability. The C11_b structure can be interpreted as formed by parallel linear chains along the z-directions each one composed of successive U–Mo–U blocks. Hybridization due to electronic interactions inside the U–Mo–U blocks is slightly modified under the D_6 distortion. The change in distance between chains modifies the U–U interaction and produces a split of f-states. The distorted structure is stabilized by a decrease in energy of the hybridized states, mainly between d-Mo and f-U states, together with the f-band split. Consequently, an induced Peierls distortion is produced in U_2Mo due to the D_6 distortion. It is important to note that the results of this work indicate that the structure of the ground state of the U_2Mo compound is not the assumed C11_b structure. It is suggested for the ground state a structure with hexagonal symmetry (P6 #168), ∼0.1 mRy below the energy of the recently proposed Pmmn structure. - Highlights: • Structural instability of the C11b compound due to the D6 deformation. • Induced Peierls distortion due to the D6 deformation. • Distorted structure is stabilized by hybridization and split of f-Uranium state. • P6 (#168) suggested ground state for the U_2Mo compound.
Assessment of surface and subsurface ground disturbance due to underground mining
International Nuclear Information System (INIS)
Khair, A.W.
1994-01-01
This paper presents highlights of the research carried out at West Virginia University in order to assess surface and subsurface ground disturbance due to longwall mining. Extensive instrumentation and measurements have been made over three longwall mines in northern West Virginia during a three-year period. Various monitoring techniques including full profile borehole extensometer, full profile borehole inclinometers, time domain reflectometry, sonic reflection technique, a unique mechanical grouting method, photographic and visual observations, standard surveying, and water-level measurements were utilized. The paper's emphasis is first on surface ground movement and its impact on integrity of surface ground and structures and second on type and magnitude of subsurface ground movements associated with mine geometry and geology. A subsidence prediction model based on implementation of both mechanisms of ground movement around the excavation and the geologic and geotechnical properties of the rock/coal surrounding the excavation has been developed. 8 refs., 14 figs., 1 tab
Ground state of charged Base and Fermi fluids in strong coupling
International Nuclear Information System (INIS)
Mazighi, R.
1982-03-01
The ground state and excited states of the charged Bose gas were studied (wave function, equation of state, thermodynamics, application of Feynman theory). The ground state of the charged Fermi gas was also investigated together with the miscibility of charged Bose and Fermi gases at 0 deg K (bosons-bosons, fermions-bosons and fermions-fermions) [fr
Case study on ground surface deformation induced by CO2 injection into coal seam
International Nuclear Information System (INIS)
Li Hong; Tang Chun'an
2010-01-01
To monitor a geomechanical response of injecting CO 2 into relatively shallow coal seams, tiltmeters were set as an array to cover the ground surface area surrounding the injection well, and to measure the ground deformation during a well fracturing stimulation and a short-term CO 2 injection test. In this paper, an attempt to establish a quantitative relationship between the in-situ coal swelling and the corresponding ground deformation was made by means of numerical simulation study. (authors)
DEFF Research Database (Denmark)
Johnsen, Kristinn; Yngvason, Jakob
1996-01-01
We report on a numerical study of the density matrix functional introduced by Lieb, Solovej, and Yngvason for the investigation of heavy atoms in high magnetic fields. This functional describes exactly the quantum mechanical ground state of atoms and ions in the limit when the nuclear charge Z...... and the electron number N tend to infinity with N/Z fixed, and the magnetic field B tends to infinity in such a way that B/Z4/3→∞. We have calculated electronic density profiles and ground-state energies for values of the parameters that prevail on neutron star surfaces and compared them with results obtained...... by other methods. For iron at B=1012 G the ground-state energy differs by less than 2% from the Hartree-Fock value. We have also studied the maximal negative ionization of heavy atoms in this model at various field strengths. In contrast to Thomas-Fermi type theories atoms can bind excess negative charge...
High spin polarization and the origin of unique ferromagnetic ground state in CuFeSb
International Nuclear Information System (INIS)
Sirohi, Anshu; Saha, Preetha; Gayen, Sirshendu; Gaurav, Abhishek; Jyotsna, Shubhra; Sheet, Goutam; Singh, Chandan K.; Kabir, Mukul; Thakur, Gohil S.; Haque, Zeba; Gupta, L. C.; Ganguli, Ashok K.
2016-01-01
CuFeSb is isostructural to the ferro-pnictide and chalcogenide superconductors and it is one of the few materials in the family that are known to stabilize in a ferromagnetic ground state. Majority of the members of this family are either superconductors or antiferromagnets. Therefore, CuFeSb may be used as an ideal source of spin polarized current in spin-transport devices involving pnictide and the chalcogenide superconductors. However, for that the Fermi surface of CuFeSb needs to be sufficiently spin polarized. In this paper we report direct measurement of transport spin polarization in CuFeSb by spin-resolved Andreev reflection spectroscopy. From a number of measurements using multiple superconducting tips we found that the intrinsic transport spin polarization in CuFeSb is high (∼47%). In order to understand the unique ground state of CuFeSb and the origin of large spin polarization at the Fermi level, we have evaluated the spin-polarized band structure of CuFeSb through first principles calculations. Apart from supporting the observed 47% transport spin polarization, such calculations also indicate that the Sb-Fe-Sb angles and the height of Sb from the Fe plane are strikingly different for CuFeSb than the equivalent parameters in other members of the same family thereby explaining the origin of the unique ground state of CuFeSb.
High spin polarization and the origin of unique ferromagnetic ground state in CuFeSb
Energy Technology Data Exchange (ETDEWEB)
Sirohi, Anshu; Saha, Preetha; Gayen, Sirshendu; Gaurav, Abhishek; Jyotsna, Shubhra; Sheet, Goutam, E-mail: goutam@iisermohali.ac.in [Department of Physical Sciences, Indian Institute of Science Education and Research Mohali, Sector 81, S. A. S. Nagar, Manauli PO 140306 (India); Singh, Chandan K.; Kabir, Mukul [Department of Physics, Indian Institute of Science Education and Research, Pune 411008 (India); Thakur, Gohil S.; Haque, Zeba; Gupta, L. C. [Department of Chemistry, Indian Institute of Technology, New Delhi 110016 (India); Ganguli, Ashok K. [Department of Chemistry, Indian Institute of Technology, New Delhi 110016 (India); Institute of Nano Science & Technology, Mohali 160064 (India)
2016-06-13
CuFeSb is isostructural to the ferro-pnictide and chalcogenide superconductors and it is one of the few materials in the family that are known to stabilize in a ferromagnetic ground state. Majority of the members of this family are either superconductors or antiferromagnets. Therefore, CuFeSb may be used as an ideal source of spin polarized current in spin-transport devices involving pnictide and the chalcogenide superconductors. However, for that the Fermi surface of CuFeSb needs to be sufficiently spin polarized. In this paper we report direct measurement of transport spin polarization in CuFeSb by spin-resolved Andreev reflection spectroscopy. From a number of measurements using multiple superconducting tips we found that the intrinsic transport spin polarization in CuFeSb is high (∼47%). In order to understand the unique ground state of CuFeSb and the origin of large spin polarization at the Fermi level, we have evaluated the spin-polarized band structure of CuFeSb through first principles calculations. Apart from supporting the observed 47% transport spin polarization, such calculations also indicate that the Sb-Fe-Sb angles and the height of Sb from the Fe plane are strikingly different for CuFeSb than the equivalent parameters in other members of the same family thereby explaining the origin of the unique ground state of CuFeSb.
Photon density of states for deformed surfaces
International Nuclear Information System (INIS)
Emig, T
2006-01-01
A new approach to the Helmholtz spectrum for arbitrarily shaped boundaries and a rather general class of boundary conditions is introduced. We derive the boundary induced change of the density of states in terms of the free Green's function from which we obtain both perturbative and non-perturbative results for the Casimir interaction between deformed surfaces. As an example, we compute the lateral electrodynamic Casimir force between two corrugated surfaces over a wide parameter range. Universal behaviour, fixed only by the largest wavelength component of the surface shape, is identified at large surface separations. This complements known short distance expansions which are also reproduced
Analytic model for surface ground motion with spall induced by underground nuclear tests
International Nuclear Information System (INIS)
MacQueen, D.H.
1982-04-01
This report provides a detailed presentation and critique of a model used to characterize the surface ground motion following a contained, spalling underground nuclear explosion intended for calculation of the resulting atmospheric acoustic pulse. Some examples of its use are included. Some discussion of the general approach of ground motion model parameter extraction, not dependent on the specific model, is also presented
Near-ground cooling efficacies of trees and high-albedo surfaces
Energy Technology Data Exchange (ETDEWEB)
Levinson, Ronnen Michael [Univ. of California, Berkeley, CA (United States)
1997-05-01
Daytime summer urban heat islands arise when the prevalence of dark-colored surfaces and lack of vegetation make a city warmer than neighboring countryside. Two frequentlyproposed summer heat island mitigation measures are to plant trees and to increase the albedo (solar reflectivity) of ground surfaces. This dissertation examines the effects of these measures on the surface temperature of an object near the ground, and on solar heating of air near the ground. Near-ground objects include people, vehicles, and buildings. The variation of the surface temperature of a near-ground object with ground albedo indicates that a rise in ground albedo will cool a near-ground object only if the object’s albedo exceeds a critical value. This critical value of object albedo depends on wind speed, object geometry, and the height of the atmospheric thermal boundary layer. It ranges from 0.15 to 0.37 for a person. If an object has typical albedo of 0.3, increasing the ground albedo by 0.25 perturbs the object’s surface temperature by -1 to +2 K. Comparing a tree’s canopy-to-air convection to the reduction in ground-to-air convection induced by tree shading of the ground indicates that the presence of a tree can either increase or decrease solar heating of ground-level air. The tree’s net effect depends on the extent to which solar heating of the canopy is dissipated by evaporation, and on the fraction of air heated by the canopy that flows downward and mixes with the ground-level air. A two-month lysimeter (plant-weighing) experiment was conducted to measure instantaneous rates of water loss from a tree under various conditions of weather and soil-moisture. Calculations of canopy-to-air convection and the reduction of ground-to-air convection based on this data indicate that canopy-induced heating would negate shadowinduced cooling if approximately 45% of the canopy-heated air mixed with ground level air. This critical fraction is comparable to typical downward mixing
Outdoor surface temperature measurement: ground truth or lie?
Skauli, Torbjorn
2004-08-01
Contact surface temperature measurement in the field is essential in trials of thermal imaging systems and camouflage, as well as for scene modeling studies. The accuracy of such measurements is challenged by environmental factors such as sun and wind, which induce temperature gradients around a surface sensor and lead to incorrect temperature readings. In this work, a simple method is used to test temperature sensors under conditions representative of a surface whose temperature is determined by heat exchange with the environment. The tested sensors are different types of thermocouples and platinum thermistors typically used in field trials, as well as digital temperature sensors. The results illustrate that the actual measurement errors can be much larger than the specified accuracy of the sensors. The measurement error typically scales with the difference between surface temperature and ambient air temperature. Unless proper care is taken, systematic errors can easily reach 10% of this temperature difference, which is often unacceptable. Reasonably accurate readings are obtained using a miniature platinum thermistor. Thermocouples can perform well on bare metal surfaces if the connection to the surface is highly conductive. It is pointed out that digital temperature sensors have many advantages for field trials use.
National Enforcement Initiative: Preventing Animal Waste from Contaminating Surface and Ground Water
This page describes EPA's goal in preventing animal waste from contaminating surface and ground Water. It is an EPA National Enforcement Initiative. Both enforcement cases, and a map of enforcement actions are provided.
The impact of accelerometer mounting methods on the level of vibrations recorded at ground surface
Directory of Open Access Journals (Sweden)
Krzysztof Czech
2014-08-01
Full Text Available The paper presents the results of field research based on the measurements of accelerations recorded at ground surface. The source of the vibration characterized by high repetition rate of pulse parameters was light falling weight deflectometer ZFG-01. Measurements of vibrations have been carried out using top quality high-precision measuring system produced by Brüel&Kiær. Accelerometers were mounted on a sandy soil surface at the measuring points located radially at 5-m and 10-m distances from the source of vibration. The paper analyses the impact that the method of mounting accelerometers on the ground has on the level of the recorded values of accelerations of vibrations. It has been shown that the method of attaching the sensor to the surface of the ground is crucial for the credibility of the performed measurements.[b]Keywords[/b]: geotechnics, surface vibrations, ground, vibration measurement
Towards 6Li-40K ground state molecules
International Nuclear Information System (INIS)
Brachmann, Johannes Felix Simon
2013-01-01
The production of a quantum gas with strong long - range dipolar interactions is a major scientific goal in the research field of ultracold gases. In their ro - vibrational ground state Li-K dimers possess a large permanent dipole moment, which could possibly be exploited for the realization of such a quantum gas. A production of these molecules can be achieved by the association of Li and K at a Feshbach resonance, followed by a coherent state transfer. In this thesis, detailed theoretical an experimental preparations to achieve state transfer by means of Stimulated Raman Adiabatic Passage (STIRAP) are described. The theoretical preparations focus on the selection of an electronically excited molecular state that is suitable for STIRAP transfer. In this context, molecular transition dipole moments for both transitions involved in STIRAP transfer are predicted for the first time. This is achieved by the calculation of Franck-Condon factors and a determination of the state in which the 6 Li- 40 K Feshbach molecules are produced. The calculations show that state transfer by use of a single STIRAP sequence is experimentally very well feasible. Further, the optical wavelengths that are needed to address the selected states are calculated. The high accuracy of the data will allow to carry out the molecular spectroscopy in a fast and efficient manner. Further, only a comparatively narrow wavelength tuneability of the spectroscopy lasers is needed. The most suitable Feshbach resonance for the production of 6 Li- 40 K molecules at experimentally manageable magnetic field strengths is occurring at 155 G. Experimentally, this resonance is investigated by means of cross-dimensional relaxation. The application of the technique at various magnetic field strengths in the vicinity of the 155 G Feshbach resonance allows a determination of the resonance position and width with so far unreached precision. This reveals the production of molecules on the atomic side of the resonance
The impact of rainfall on total gaseous mercury (TGM) flux from pavement and street dirt surfaces was investigated in an effort to determine the influence of wet weather events on mercury transport in urban watersheds. Street dirt and pavement are common urban ground surfaces tha...
Copepod communities from surface and ground waters in the everglades, south Florida
Bruno, M.C.; Cunningham, K.J.; Perry, S.A.
2003-01-01
We studied species composition and individual abundance of copepods in the surficial aquifer northeast of Everglades National Park. We identified the spatial distribution of subsurface habitats by assessing the depth of the high porosity layers in the limestone along a canal system, and we used copepods to assess the exchange between surface water and ground water along canal banks, at levels in the wells where high porosity connections to the canals exist. Surface- and ground-water taxa were defined, and species composition was related to areal position, sampling depth, and time. Subsurface copepod communities were dominated by surface copepods that disperse into the aquifer following the groundwater seepage along canal L-31N. The similarities in species composition between wells along canal reaches, suggest that copepods mainly enter ground water horizontally along canals via active and passive dispersal. Thus, the copepod populations indicate continuous connections between surface- and ground waters. The most abundant species were Orthocyclops modestus, Arctodiaptomus floridanus, Mesocyclops edax, and Thermocyclops parvus, all known in literature from surface habitats; however, these species have been collected in ground water in ENP. Only two stygophiles were collected: Diacylcops nearcticus and Diacyclops crassicaudis brachycercus. Restoration of the Everglades ecosystem requires a mosaic of data to reveal a complete picture of this complex system. The use of copepods as indicators of seepage could be a tool in helping to assess the direction and the duration of surface and ground water exchange.
Electromagnetic properties of the three-nucleon ground state
International Nuclear Information System (INIS)
Strueve, W.
1985-01-01
The electromagnetic form factors of the three-nucleon ground state are calculated on the base of an exact solution of the Faddeev equations. In a Hilbert space of nucleons and a possible Δ-isobar the effects of a non-perturbative description of the Δ-isobar on the magnetic form factors are studied. Pure nucleonic current operators with two- and three-particle character can be described in the extended Hilbert space by simpler one-body operators. Additionally nonrelativistic meson-exchange corrections due to π and ρ exchange are calculated consistently with the requirements of current conservation. Further relativistic corrections are estimated on selected examples. The calculations yield a total magnetic contribution of the Δ-isobar which is smaller than hitherto assumed, a static approximation of the Δ propagation is proved as inadmissible and must be rejected. Together with the meson-exchange corrections a well agreement with the experimental data at low momentum transfers results. Especially the magnetic moments and magnetization radii can be explained. For higher momentum transfers the results show the importance of further corrections. The regard of selected relativistic corrections leads to a good description of the experimental magnetic form factors. Also by this way the position of the minimum and the height of the second maximum in the 3 He charge form factor can be explained. The comparison with the latest experimental results reveals furthermore unresolved problems in the description of the 3 H charge form factor. (orig.) [de
Modelling of Surface Fault Structures Based on Ground Magnetic Survey
Michels, A.; McEnroe, S. A.
2017-12-01
The island of Leka confines the exposure of the Leka Ophiolite Complex (LOC) which contains mantle and crustal rocks and provides a rare opportunity to study the magnetic properties and response of these formations. The LOC is comprised of five rock units: (1) harzburgite that is strongly deformed, shifting into an increasingly olivine-rich dunite (2) ultramafic cumulates with layers of olivine, chromite, clinopyroxene and orthopyroxene. These cumulates are overlain by (3) metagabbros, which are cut by (4) metabasaltic dykes and (5) pillow lavas (Furnes et al. 1988). Over the course of three field seasons a detailed ground-magnetic survey was made over the island covering all units of the LOC and collecting samples from 109 sites for magnetic measurements. NRM, susceptibility, density and hysteresis properties were measured. In total 66% of samples with a Q value > 1, suggests that the magnetic anomalies should include both induced and remanent components in the model.This Ophiolite originated from a suprasubduction zone near the coast of Laurentia (497±2 Ma), was obducted onto Laurentia (≈460 Ma) and then transferred to Baltica during the Caledonide Orogeny (≈430 Ma). The LOC was faulted, deformed and serpentinized during these events. The gabbro and ultramafic rocks are separated by a normal fault. The dominant magnetic anomaly that crosses the island correlates with this normal fault. There are a series of smaller scale faults that are parallel to this and some correspond to local highs that can be highlighted by a tilt derivative of the magnetic data. These fault boundaries which are well delineated by the distinct magnetic anomalies in both ground and aeromagnetic survey data are likely caused by increased amount of serpentinization of the ultramafic rocks in the fault areas.
Ashraf, M. A. M.; Kumar, N. S.; Yusoh, R.; Hazreek, Z. A. M.; Aziman, M.
2018-04-01
Site classification utilizing average shear wave velocity (Vs(30) up to 30 meters depth is a typical parameter. Numerous geophysical methods have been proposed for estimation of shear wave velocity by utilizing assortment of testing configuration, processing method, and inversion algorithm. Multichannel Analysis of Surface Wave (MASW) method is been rehearsed by numerous specialist and professional to geotechnical engineering for local site characterization and classification. This study aims to determine the site classification on soft and hard ground using MASW method. The subsurface classification was made utilizing National Earthquake Hazards Reduction Program (NERHP) and international Building Code (IBC) classification. Two sites are chosen to acquire the shear wave velocity which is in the state of Pulau Pinang for soft soil and Perlis for hard rock. Results recommend that MASW technique can be utilized to spatially calculate the distribution of shear wave velocity (Vs(30)) in soil and rock to characterize areas.
Hara, Akito; Awano, Teruyoshi
2017-06-01
Ultrashallow thermal donors (USTDs), which consist of light element impurities such as carbon, hydrogen, and oxygen, have been found in Czochralski silicon (CZ Si) crystals. To the best of our knowledge, these are the shallowest hydrogen-like donors with negative central-cell corrections in Si. We observed the ground-state splitting of USTDs by far-infrared optical absorption at different temperatures. The upper ground-state levels are approximately 4 meV higher than the ground-state levels. This energy level splitting is also consistent with that obtained by thermal excitation from the ground state to the upper ground state. This is direct evidence that the wave function of the USTD ground state is made up of a linear combination of conduction band minimums.
Topological surface states in nodal superconductors
International Nuclear Information System (INIS)
Schnyder, Andreas P; Brydon, Philip M R
2015-01-01
Topological superconductors have become a subject of intense research due to their potential use for technical applications in device fabrication and quantum information. Besides fully gapped superconductors, unconventional superconductors with point or line nodes in their order parameter can also exhibit nontrivial topological characteristics. This article reviews recent progress in the theoretical understanding of nodal topological superconductors, with a focus on Weyl and noncentrosymmetric superconductors and their protected surface states. Using selected examples, we review the bulk topological properties of these systems, study different types of topological surface states, and examine their unusual properties. Furthermore, we survey some candidate materials for topological superconductivity and discuss different experimental signatures of topological surface states. (topical review)
Anomalous Ground State of the Electrons in Nano-confined Water
2016-06-13
Anomalous ground state of the electrons in nano -confined water G. F. Reiter1*, Aniruddha Deb2*, Y. Sakurai3, M. Itou3, V. G. Krishnan4, S. J...electronic ground state of nano -confined water must be responsible for these anomalies but has so far not been investigated. We show here for the first time...using x-ray Compton scattering and a computational model, that the ground state configuration of the valence electrons in a particular nano
International Nuclear Information System (INIS)
Hofstetter, K.J.; Cable, P.R.; Noakes, J.E.; Spaulding, J.D.; Neary, M. P.; Wasyl, M.S.
1996-01-01
The environmental contamination resulting from decades of testing and manufacturing of nuclear materials for a national defense purposes is a problem now being faced by the United States. The Center for Applied Isotope Studies at the University of Georgia, in cooperation with the Westinghouse Savannah River Company and Packard Instrument Company, have developed a prototype unit for remote, near real time, in situ analysis of tritium in surface and ground water samples
Derivation of novel human ground state naive pluripotent stem cells.
Gafni, Ohad; Weinberger, Leehee; Mansour, Abed AlFatah; Manor, Yair S; Chomsky, Elad; Ben-Yosef, Dalit; Kalma, Yael; Viukov, Sergey; Maza, Itay; Zviran, Asaf; Rais, Yoach; Shipony, Zohar; Mukamel, Zohar; Krupalnik, Vladislav; Zerbib, Mirie; Geula, Shay; Caspi, Inbal; Schneir, Dan; Shwartz, Tamar; Gilad, Shlomit; Amann-Zalcenstein, Daniela; Benjamin, Sima; Amit, Ido; Tanay, Amos; Massarwa, Rada; Novershtern, Noa; Hanna, Jacob H
2013-12-12
Mouse embryonic stem (ES) cells are isolated from the inner cell mass of blastocysts, and can be preserved in vitro in a naive inner-cell-mass-like configuration by providing exogenous stimulation with leukaemia inhibitory factor (LIF) and small molecule inhibition of ERK1/ERK2 and GSK3β signalling (termed 2i/LIF conditions). Hallmarks of naive pluripotency include driving Oct4 (also known as Pou5f1) transcription by its distal enhancer, retaining a pre-inactivation X chromosome state, and global reduction in DNA methylation and in H3K27me3 repressive chromatin mark deposition on developmental regulatory gene promoters. Upon withdrawal of 2i/LIF, naive mouse ES cells can drift towards a primed pluripotent state resembling that of the post-implantation epiblast. Although human ES cells share several molecular features with naive mouse ES cells, they also share a variety of epigenetic properties with primed murine epiblast stem cells (EpiSCs). These include predominant use of the proximal enhancer element to maintain OCT4 expression, pronounced tendency for X chromosome inactivation in most female human ES cells, increase in DNA methylation and prominent deposition of H3K27me3 and bivalent domain acquisition on lineage regulatory genes. The feasibility of establishing human ground state naive pluripotency in vitro with equivalent molecular and functional features to those characterized in mouse ES cells remains to be defined. Here we establish defined conditions that facilitate the derivation of genetically unmodified human naive pluripotent stem cells from already established primed human ES cells, from somatic cells through induced pluripotent stem (iPS) cell reprogramming or directly from blastocysts. The novel naive pluripotent cells validated herein retain molecular characteristics and functional properties that are highly similar to mouse naive ES cells, and distinct from conventional primed human pluripotent cells. This includes competence in the generation
Surface states in crystals with low-index surfaces
International Nuclear Information System (INIS)
Wang Hui-Ping; Tao Rui-Bao
2015-01-01
For most of the conventional crystals with low-index surfaces, the hopping between the nearest neighbor (1NN) crystal planes (CPs) is dominant and the ones from the nNN (2 ≤ n < ∞) CPs are relatively weak, considered as small perturbations. The recent theoretical analysis [1] has demonstrated the absence of surface states at the level of the hopping approximation between the 1NN CPs when the original infinite crystal has the geometric reflection symmetry (GRS) for each CP. Meanwhile, based on the perturbation theory, it has also been shown that small perturbations from the hopping between the nNN (2 ≤ n < ∞) CPs and surface relaxation have no impact on the above conclusion. However, for the crystals with strong intrinsic spin-orbit coupling (SOC), the dominant terms of intrinsic SOC associate with two 1NN bond hoppings. Thus SOC will significantly contribute the hoppings from the 1NN and/or 2NN CPs except the ones within each CP. Here, we will study the effect of the hopping between the 2NN CPs on the surface states in model crystals with three different type structures (Type I: “···–P–P–P–P–···”, Type II: “···–P–Q–P–Q–···” and Type III: “···–P=Q–P=Q–···” where P and Q indicate CPs and the signs “−” and “=” mark the distance between the 1NN CPs). In terms of analytical and numerical calculations, we study the behavior of surface states in three types after the symmetric/asymmetric hopping from the 2NN CPs is added. We analytically prove that the symmetric hopping from the 2NN CPs cannot induce surface states in Type I when each CP has only one electron mode. The numerical calculations also provide strong support for the conclusion, even up to 5NN. However, in general, the coupling from the 2NN CPs (symmetric and asymmetric) is favorable to generate surface states except Type I with single electron mode only. (paper)
Surface study of liquid 3He using surface state electrons
International Nuclear Information System (INIS)
Shirahama, K.; Ito, S.; Suto, H.; Kono, K.
1995-01-01
We have measured the mobility of surface state electrons (SSE) on liquid 3 He, μ 3 , aiming to study the elementary surface excitations of the Fermi liquid. A gradual increase of μ 3 below 300 mK is attributed to the scattering of electrons by ripplons. Ripplons do exist in 3 He down to 100 mK. We observe an abrupt decrease of μ 3 , due to the transition to the Wigner solid (WS). The dependences of the WS conductivity and mobility on temperature and magnetic field differ from the SSE behavior on liquid 4 He
Ground state solutions for asymptotically periodic Schrodinger equations with critical growth
Directory of Open Access Journals (Sweden)
Hui Zhang
2013-10-01
Full Text Available Using the Nehari manifold and the concentration compactness principle, we study the existence of ground state solutions for asymptotically periodic Schrodinger equations with critical growth.
Correlated ground state and E2 giant resonance built on it
International Nuclear Information System (INIS)
Tohyama, Mitsuru
1995-01-01
Taking 16 O as an example of realistic nuclei, we demonstrate that a correlated ground state can be obtained as a long time solution of a time-dependent density-matrix formalism (TDDM) when the residual interaction is adiabatically treated. We also study in TDDM the E2 giant resonance of 16 O built on the correlated ground state and compare it with that built on the Hartree-Fock ground state. It is found that a spurious mixing of low frequency components seen in the latter is eliminated by using the correlated ground state. (author)
Optimized RVB states of the 2-d antiferromagnet: ground state and excitation spectrum
Chen, Yong-Cong; Xiu, Kai
1993-10-01
The Gutzwiller projection of the Schwinger-boson mean-field solution of the 2-d spin- {1}/{2} antiferromagnet in a square lattice is shown to produce the optimized, parameter-free RVB ground state. We get -0.6688 J/site and 0.311 for the energy and the staggered magnetization. The spectrum of the excited states is found to be linear and gapless near k≅0. Our calculation suggests, upon breaking of the rotational symmetry, ɛ k≅2JZ r1-γ 2k with Zr≅1.23.
Mathematical aspects of ground state tunneling models in luminescence materials
International Nuclear Information System (INIS)
Pagonis, Vasilis; Kitis, George
2015-01-01
Luminescence signals from a variety of natural materials have been known to decrease with storage time at room temperature due to quantum tunneling, a phenomenon known as anomalous fading. This paper is a study of several mathematical aspects of two previously published luminescence models which describe tunneling phenomena from the ground state of a donor–acceptor system. It is shown that both models are described by the same type of integral equation, and two new analytical equations are presented. The first new analytical equation describes the effect of anomalous fading on the dose response curves (DRCs) of naturally irradiated samples. The DRCs in the model were previously expressed in the form of integral equations requiring numerical integration, while the new analytical equation can be used immediately as a tool for analyzing experimental data. The second analytical equation presented in this paper describes the anomalous fading rate (g-Value per decade) as a function of the charge density in the model. This new analytical expression for the g-Value is tested using experimental anomalous fading data for several apatite crystals which exhibit high rate of anomalous fading. The two new analytical results can be useful tools for analyzing anomalous fading data from luminescence materials. In addition to the two new analytical equations, an explanation is provided for the numerical value of a constant previously introduced in the models. - Highlights: • Comparative study of two luminescence models for feldspars. • Two new analytical equations for dose response curves and anomalous fading rate. • The numerical value z=1.8 of previously introduced constant in models explained.
Effect of high-extraction coal mining on surface and ground waters
International Nuclear Information System (INIS)
Kendorski, F.S.
1993-01-01
Since first quantified around 1979, much new data have become available. In examining the sources of data and the methods and intents of the researchers of over 65 case histories, it became apparent that the strata behaviors were being confused with overlapping vertical extents reported for the fractured zones and aquiclude zones depending on whether the researcher was interested in water intrusion into the mine or in water loss from surface or ground waters. These more recent data, and critical examination of existing data, have led to the realization that the former Aquiclude Zone defined for its ability to prevent or minimize the intrusion of ground or surface waters into mines has another important character in increasing storage of surface and shallow ground waters in response to mining with no permanent loss of waters. This zone is here named the Dilated Zone. Surface and ground waters can drain into this zone, but seldom into the mine, and can eventually be recovered through closing of dilations by mine subsidence progression away from the area, or filling of the additional void space created, or both. A revised model has been developed which accommodates the available data, by modifying the zones as follows: collapse and disaggregation extending 6 to 10 times the mined thickness above the panel; continuous fracturing extending approximately 24 times the mined thickness above the panel, allowing temporary drainage of intersected surface and ground waters; development of a zone of dilated, increased storativity, and leaky strata with little enhanced vertical permeability from 24 to 60 times the mined thickness above the panel above the continuous fracturing zone, and below the constrained or surface effects zones; maintenance of a constrained but leaky zone above the dilated zone and below the surface effects zone; and limited surface fracturing in areas of extension extending up to 50 ft or so beneath the ground surface. 119 ref., 5 figs., 2 tabs
Tomaschitz, R
1989-01-01
We consider geodesic motion on three-dimensional Riemannian manifolds of constant negative curvature, topologically equivalent to S x ]0,1[, S a compact surface of genus two. To those trajectories which are bounded and recurrent in both directions of the time evolution a fractal limit set is associated whose Hausdorff dimension is intimately connected with the quantum mechanical energy ground state, determined by the Schrodinger operator on the manifold. We give a rather detailed and pictorial description of the hyperbolic spaces we have in mind, discuss various aspects of classical and quantum mechanical motion on them as far as they are needed to establish the connection between energy ground state and Hausdorff dimension and give finally some examples of ground state calculations in terms of Hausdorff dimensions of limit sets of classical trajectories.
International Nuclear Information System (INIS)
Tomaschitz, R.
1989-01-01
We consider geodesic motion on three-dimensional Riemannian manifolds of constant negative curvature, topologically equivalent to S x ]0,1[, S a compact surface of genus two. To those trajectories which are recurrent in both directions of the time evolution t → +∞, t → -∞ a fractal limit set is associated whose Hausdorff dimension is intimately connected with the quantum mechanical energy ground state, determined by the Schroedinger operator on the manifold. We give a rather detailed and pictorial description of the hyperbolic spaces we have in mind, discuss various aspects of classical and quantum mechanical motion on them as far as they are needed to establish the connection between energy ground state and Hausdorff dimension and give finally some examples of ground state calculations in terms of Hausdorff dimensions of limit sets of classical trajectories. (orig.)
Tricriticality for dimeric Coulomb molecular crystals in ground state
Travěnec, Igor; Šamaj, Ladislav
2017-12-01
We study the ground-state properties of a system of dimers. Each dimer consists in a pair of equivalent charges at a fixed distance, immersed in a neutralizing homogeneous background. All charges interact pairwisely by Coulomb potential. The dimer centers form a two-dimensional rectangular lattice with the aspect ratio α\\in [0, 1] and each dimer is allowed to rotate around its center. The previous numerical simulations, made for the more general Yukawa interaction, indicate that only two basic dimer configurations can appear: either all dimers are parallel or they have two different angle orientations within alternating (checkerboard) sublattices. As the dimer size increases, two second-order phase transitions, related to two kinds of the symmetry breaking in dimer’s orientations, were reported. In this paper, we use a recent analytic method based on an expansion of the interaction energy in Misra functions which converges quickly and provides an analytic derivation of the critical behaviour. Our main result is that there exists a specific aspect ratio of the rectangular lattice α^*=0.714 106 840 000 71\\ldots which divides the space of model’s phases onto two distinct regions. If the lattice aspect ratio α>α* , we recover both types of the second-order phase transitions and find that they are of mean-field type with the critical exponent β = 1/2 . If 0.711 535≤slantα<α* , the phase transition associated with the discontinuity of dimer’s angles on alternating sublattices becomes of first order. For α=α* , the first- and second-order phase transitions meet at the tricritical point, characterized by the different critical index β = 1/4 . Such phenomenon is known from literature about the Landau theory of one-component fields, but in our two-component version the scenario is more complicated: the component which is already in the symmetry-broken state at the tricritical point also interferes and exhibits unexpectedly the mean-field singular
2012-05-02
... Extension of Existing Information Collection; Ground Control for Surface Coal Mines and Surface Work Areas of Underground Coal Mines AGENCY: Mine Safety and Health Administration, Labor. ACTION: Request for... inspections and investigations in coal or other mines shall be made each year for the purposes of, among other...
DEFF Research Database (Denmark)
Reynisson, J.; Wilbrandt, R.; Brinck, V.
2002-01-01
. The physical and chemical properties of the excited singlet state of the trioxatriangulenium (TOTA(+)) carbenium ion are investigated by experimental and Computational means. The degeneracy of the lowest excited states is counteracted by Jahn-Teller-type distortion, which leads to vibronic broadening...... of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...... triphenylenes is studied separately. Phosphorescence spectra, triplet lifetimes, and triplet-triplet absorption spectra are provided. In the discussion, TOTA(+) is compared to the unsubstituted xanthenium ion and its 9-phenyl derivative with respect to the excited state properties....
Ziegler, Tom; Krykunov, Mykhaylo; Autschbach, Jochen
2014-09-09
The random phase approximation (RPA) equation of adiabatic time dependent density functional ground state response theory (ATDDFT) has been used extensively in studies of excited states. It extracts information about excited states from frequency dependent ground state response properties and avoids, thus, in an elegant way, direct Kohn-Sham calculations on excited states in accordance with the status of DFT as a ground state theory. Thus, excitation energies can be found as resonance poles of frequency dependent ground state polarizability from the eigenvalues of the RPA equation. ATDDFT is approximate in that it makes use of a frequency independent energy kernel derived from the ground state functional. It is shown in this study that one can derive the RPA equation of ATDDFT from a purely variational approach in which stationary states above the ground state are located using our constricted variational DFT (CV-DFT) method and the ground state functional. Thus, locating stationary states above the ground state due to one-electron excitations with a ground state functional is completely equivalent to solving the RPA equation of TDDFT employing the same functional. The present study is an extension of a previous work in which we demonstrated the equivalence between ATDDFT and CV-DFT within the Tamm-Dancoff approximation.
Harvey, Judson W.; Newlin, Jessica T.; Krupa, Steven L.
2006-04-01
Surface-water and ground-water flow are coupled in the central Everglades, although the remoteness of this system has hindered many previous attempts to quantify interactions between surface water and ground water. We modeled flow through a 43,000 ha basin in the central Everglades called Water Conservation Area 2A. The purpose of the model was to quantify recharge and discharge in the basin's vast interior areas. The presence and distribution of tritium in ground water was the principal constraint on the modeling, based on measurements in 25 research wells ranging in depth from 2 to 37 m. In addition to average characteristics of surface-water flow, the model parameters included depth of the layer of 'interactive' ground water that is actively exchanged with surface water, average residence time of interactive ground water, and the associated recharge and discharge fluxes across the wetland ground surface. Results indicated that only a relatively thin (8 m) layer of the 60 m deep surfical aquifer actively exchanges surface water and ground water on a decadal timescale. The calculated storage depth of interactive ground water was 3.1 m after adjustment for the porosity of peat and sandy limestone. Modeling of the tritium data yielded an average residence time of 90 years in interactive ground water, with associated recharge and discharge fluxes equal to 0.01 cm d -1. 3H/ 3He isotopic ratio measurements (which correct for effects of vertical mixing in the aquifer with deeper, tritium-dead water) were available from several wells, and these indicated an average residence time of 25 years, suggesting that residence time was overestimated using tritium measurements alone. Indeed, both residence time and storage depth would be expected to be overestimated due to vertical mixing. The estimate of recharge and discharge (0.01 cm d -1) that resulted from tritium modeling therefore is still considered reliable, because the ratio of residence time and storage depth (used to
Exact ground and excited states of an antiferromagnetic quantum spin model
International Nuclear Information System (INIS)
Bose, I.
1989-08-01
A quasi-one-dimensional spin model which consists of a chain of octahedra of spins has been suggested for which a certain parameter regime of the Hamiltonian, the ground state, can be written down exactly. The ground state is highly degenerate and can be other than a singlet. Also, several excited states can be constructed exactly. The ground state is a local RVB state for which resonance is confined to rings of spins. Some exact numerical results for an octahedron of spins have also been reported. (author). 16 refs, 2 figs, 1 tab
Construction and study of exact ground states for a class of quantum antiferromagnets
International Nuclear Information System (INIS)
Fannes, M.
1989-01-01
Techniques of quantum probability are used to construct the exact ground states for a class of quantum spin systems in one dimension. This class in particular contains the antiferromagnetic models introduced by various authors under the name of VBS-models. The construction permits a detailed study of these ground states. (A.C.A.S.) [pt
Long range order in the ground state of two-dimensional antiferromagnets
International Nuclear Information System (INIS)
Neves, E.J.; Perez, J.F.
1985-01-01
The existence of long range order is shown in the ground state of the two-dimensional isotropic Heisenberg antiferromagnet for S >= 3/2. The method yields also long range order for the ground state of a larger class of anisotropic quantum antiferromagnetic spin systems with or without transverse magnetic fields. (Author) [pt
Ab initio calculation atomics ground state wave function for interactions Ion- Atom
International Nuclear Information System (INIS)
Shojaee, F.; Bolori zadeh, M. A.
2007-01-01
Ab initio calculation atomics ground state wave function for interactions Ion- Atom Atomic wave function expressed in a Slater - type basis obtained within Roothaan- Hartree - Fock for the ground state of the atoms He through B. The total energy is given for each atom.
Ground State Structure of a Coupled 2-Fermion System in Supersymmetric Quantum Mechanics
Finster, Felix
1997-05-01
We prove the uniqueness of the ground state for a supersymmetric quantum mechanical system of two fermions and two bosons, which is closely related to theN=1 WZ-model. The proof is constructive and gives detailed information on what the ground state looks like
Ground state structure of a coupled 2-fermion system in supersymmetric quantum mechanics
International Nuclear Information System (INIS)
Finster, F.
1997-01-01
We prove the uniqueness of the ground state for a supersymmetric quantum mechanical system of two fermions and two bosons, which is closely related to the N=1 WZ-model. The proof is constructive and gives detailed information on what the ground state looks like. copyright 1997 Academic Press, Inc
Pline, Alexander D.; Werner, Mark P.; Hsieh, Kwang-Chung
1991-01-01
The Surface Tension Driven Convection Experiment (STDCE) is a Space Transportation System flight experiment to study both transient and steady thermocapillary fluid flows aboard the United States Microgravity Laboratory-1 (USML-1) Spacelab mission planned for June, 1992. One of the components of data collected during the experiment is a video record of the flow field. This qualitative data is then quantified using an all electric, two dimensional Particle Image Velocimetry (PIV) technique called Particle Displacement Tracking (PDT), which uses a simple space domain particle tracking algorithm. Results using the ground based STDCE hardware, with a radiant flux heating mode, and the PDT system are compared to numerical solutions obtained by solving the axisymmetric Navier Stokes equations with a deformable free surface. The PDT technique is successful in producing a velocity vector field and corresponding stream function from the raw video data which satisfactorily represents the physical flow. A numerical program is used to compute the velocity field and corresponding stream function under identical conditions. Both the PDT system and numerical results were compared to a streak photograph, used as a benchmark, with good correlation.
Directory of Open Access Journals (Sweden)
RA Mandour
2011-12-01
Full Text Available Background: The environmental degradation products of pesticides may enter drinking water and result in serious health problems. Objective: To evaluate the occurrence of insecticides in drinking surface and ground water in Dakahlyia Governorate, northern Egypt in 2011. Methods: We studied blood samples collected from 36 consecutive patients diagnosed with pesticides poisoning and 36 tap drinking water (surface and ground. Blood and water samples were analyzed for pesticides using gas chromatography-electron captured detector (GC-ECD. In addition, blood samples were analyzed for plasma pseudo-cholinesterase level (PChE and red blood cells acetyl cholinesterase activity (AChE. Results: The results confirmed the presence of high concentrations of insecticides, including organonitrogenous and organochlorine in tap drinking surface and ground water. Conclusion: Drinking water contaminated with insecticides constitutes an important health concern in Dakahlyia governorate, Egypt.
Magnetic ground state and Fermi surface of bcc Eu
Czech Academy of Sciences Publication Activity Database
Kuneš, Jan; Laskowski, R.
2004-01-01
Roč. 70, č. 17 (2004), 174415/1-174415/6 ISSN 1098-0121 R&D Projects: GA AV ČR(CZ) IAA1010214; GA MŠk(CZ) ME 547 Grant - others:DE-FG(XX) 03-01ER45876 Institutional research plan: CEZ:AV0Z1010914 Keywords : europium * spin structure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.075, year: 2004
Transport of lincomycin to surface and ground water from manure-amended cropland.
Kuchta, Sandra L; Cessna, Allan J; Elliott, Jane A; Peru, Kerry M; Headley, John V
2009-01-01
Livestock manure containing antimicrobials becomes a possible source of these compounds to surface and ground waters when applied to cropland as a nutrient source. The potential for transport of the veterinary antimicrobial lincomycin to surface waters via surface runoff and to leach to ground water was assessed by monitoring manure-amended soil, simulated rainfall runoff, snowmelt runoff, and ground water over a 2-yr period in Saskatchewan, Canada, after fall application of liquid swine manure to cropland. Liquid chromatography tandem mass spectrometry was used to quantify lincomycin in all matrix extracts. Initial concentrations in soil (46.3-117 mug kg(-1)) were not significantly different (p > 0.05) for manure application rates ranging from 60,000 to 95,000 L ha(-1) and had decreased to nondetectable levels by mid-summer the following year. After fall manure application, lincomycin was present in all simulated rainfall runoff (0.07-2.7 mug L(-1)) and all snowmelt runoff (0.038-3.2 mug L(-1)) samples. Concentrations in snowmelt runoff were not significantly different from those in simulated rainfall runoff the previous fall. On average, lincomycin concentrations in ephemeral wetlands dissipated by 50% after 31 d. Concentrations of lincomycin in ground water were generally <0.005 mug L(-1). This study demonstrates that the management practice of using livestock manure from confined animal feeding operations as a plant nutrient source on cropland may result in antimicrobial transport to surface and ground waters.
Viel, Alexandra; Coutinho-Neto, Maurício D; Manthe, Uwe
2007-01-14
Quantum dynamics calculations of the ground state tunneling splitting and of the zero point energy of malonaldehyde on the full dimensional potential energy surface proposed by Yagi et al. [J. Chem. Phys. 1154, 10647 (2001)] are reported. The exact diffusion Monte Carlo and the projection operator imaginary time spectral evolution methods are used to compute accurate benchmark results for this 21-dimensional ab initio potential energy surface. A tunneling splitting of 25.7+/-0.3 cm-1 is obtained, and the vibrational ground state energy is found to be 15 122+/-4 cm-1. Isotopic substitution of the tunneling hydrogen modifies the tunneling splitting down to 3.21+/-0.09 cm-1 and the vibrational ground state energy to 14 385+/-2 cm-1. The computed tunneling splittings are slightly higher than the experimental values as expected from the potential energy surface which slightly underestimates the barrier height, and they are slightly lower than the results from the instanton theory obtained using the same potential energy surface.
Dry Stream Reaches in Carbonate Terranes: Surface Indicators of Ground-Water Reservoirs
Brahana, J.V.; Hollyday, E.F.
1988-01-01
In areas where dry stream reaches occur, subsurface drainage successfully competes with surface drainage, and sheet-like dissolution openings have developed parallel to bedding creating the ground-water reservoir. Union Hollow in south-central Tennessee is the setting for a case study that illustrates the application of the dry stream reach technique. In this technique, dry stream reach identification is based on two types of readily acquired information: remotely sensed black and white infrared aerial photography; and surface reconnaissance of stream channel characteristics. Test drilling in Union Hollow subsequent to identification of the dry reach proved that a localized ground-water reservoir was present.
The significant role of covalency in determining the ground state of cobalt phthalocyanines molecule
Directory of Open Access Journals (Sweden)
Jing Zhou
2016-03-01
Full Text Available To shed some light on the metal 3d ground state configuration of cobalt phthalocyanines system, so far in debate, we present an investigation by X-ray absorption spectroscopy (XAS at Co L2,3 edge and theoretical calculation. The density functional theory calculations reveal highly anisotropic covalent bond between central cobalt ion and nitrogen ligands, with the dominant σ donor accompanied by weak π-back acceptor interaction. Our combined experimental and theoretical study on the Co-L2,3 XAS spectra demonstrate a robust ground state of 2A1g symmetry that is built from 73% 3d7 character and 27% 3 d 8 L ¯ ( L ¯ denotes a ligand hole components, as the first excited-state with 2Eg symmetry lies about 158 meV higher in energy. The effect of anisotropic and isotropic covalency on the ground state was also calculated and the results indicate that the ground state with 2A1g symmetry is robust in a large range of anisotropic covalent strength while a transition of ground state from 2A1g to 2Eg configuration when isotropic covalent strength increases to a certain extent. Here, we address a significant anisotropic covalent effect of short Co(II-N bond on the ground state and suggest that it should be taken into account in determining the ground state of analogous cobalt complexes.
Spatially-varying surface roughness and ground-level air quality in an operational dispersion model
International Nuclear Information System (INIS)
Barnes, M.J.; Brade, T.K.; MacKenzie, A.R.; Whyatt, J.D.; Carruthers, D.J.; Stocker, J.; Cai, X.; Hewitt, C.N.
2014-01-01
Urban form controls the overall aerodynamic roughness of a city, and hence plays a significant role in how air flow interacts with the urban landscape. This paper reports improved model performance resulting from the introduction of variable surface roughness in the operational air-quality model ADMS-Urban (v3.1). We then assess to what extent pollutant concentrations can be reduced solely through local reductions in roughness. The model results suggest that reducing surface roughness in a city centre can increase ground-level pollutant concentrations, both locally in the area of reduced roughness and downwind of that area. The unexpected simulation of increased ground-level pollutant concentrations implies that this type of modelling should be used with caution for urban planning and design studies looking at ventilation of pollution. We expect the results from this study to be relevant for all atmospheric dispersion models with urban-surface parameterisations based on roughness. -- Highlights: • Spatially variable roughness improved performance of an operational model. • Scenario modelling explored effect of reduced roughness on air pollution. • Reducing surface roughness can increase modelled ground-level pollution. • Damped vertical mixing outweighs increased horizontal advection in model study. • Result should hold for any model with a land-surface coupling based on roughness. -- Spatially varying roughness improves model simulations of urban air pollutant dispersion. Reducing roughness does not always decrease ground-level pollution concentrations
Influence of surface mining on ground water (effects and possibilities of prevention)
Energy Technology Data Exchange (ETDEWEB)
Libicki, J
1977-01-01
This article analyzes the negative impact of surface mining on ground water. The effects of water depression on water supply for households and industry, and for vegetation and agriculture are evaluated. The negative impact of lowering the ground water level under various water conditions are analyzed: (1) vegetation is supplied with water only by rainfall, (2) vegetation is supplied with water in some seasons by rainfall and in some by ground water, and (3) vegetation uses ground water only. The impact of deteriorating water supply on forests is discussed. Problems connected with storage of waste materials in abandoned surface mines are also discussed. The influence of black coal ash and waste material from coal preparation plants on ground water is analyzed: penetration of some elements and chemical compounds to the ground water and its pollution. Some preventive measures are proposed: injection of grout in the bottom and walls of storage areas to reduce their permeability (organic resins can also be used but they are more expensive). The distance between injection boreholes should be 15 to 20 m. Covering the bottom of the storage area with plastic sheets can also be applied.
Directory of Open Access Journals (Sweden)
Elizabeth Loesch
2018-02-01
Full Text Available The state of Oklahoma has experienced a dramatic increase in the amount of measurable seismic activities over the last decade. The needs of a petroleum-driven world have led to increased production utilizing various technologies to reach energy reserves locked in tight formations and stimulate end-of-life wells, creating significant amounts of undesirable wastewater ultimately injected underground for disposal. Using Phased Array L-band Synthetic Aperture Radar (PALSAR data, we performed a differential Synthetic Aperture Radar Interferometry (InSAR technique referred to as the Small BAseline Subset (SBAS-based analysis over east central Oklahoma to identify ground surface deformation with respect to the location of wastewater injection wells for the period of December 2006 to January 2011. Our results show broad spatial correlation between SBAS-derived deformation and the locations of injection wells. We also observed significant uplift over Cushing, Oklahoma, the largest above ground crude oil storage facility in the world, and a key hub of the Keystone Pipeline. This finding has significant implications for the oil and gas industry due to its close proximity to the zones of increased seismicity attributed to wastewater injection. Results southeast of Drumright, Oklahoma represent an excellent example of the potential of InSAR, identifying a fault bordered by an area of subduction to the west and uplift to the east. This differentiated movement along the fault may help explain the lack of any seismic activity in this area, despite the large number of wells and high volume of fluid injected.
Arsenic in Ground Water of the United States
... Team More Information Arsenic in groundwater of the United States Arsenic in groundwater is largely the result of ... Gronberg (2011) for updated arsenic map. Featured publications United States Effects of human-induced alteration of groundwater flow ...
A simple parameter-free wavefunction for the ground state of two-electron atoms
International Nuclear Information System (INIS)
Ancarani, L U; Rodriguez, K V; Gasaneo, G
2007-01-01
We propose a simple and pedagogical wavefunction for the ground state of two-electron atoms which (i) is parameter free (ii) satisfies all two-particle cusp conditions (iii) yields reasonable ground-state energies, including the prediction of a bound state for H - . The mean energy, and other mean physical quantities, is evaluated analytically. The simplicity of the result can be useful as an easy-to-use wavefunction when testing collision models
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)
Airflow resistivity instrument for in situ measurement on the earth's ground surface
Zuckerwar, A. J.
1983-01-01
An airflow resistivity instrument features a novel specimen holder, especially designed for in situ measurement on the earth's ground surface. This capability eliminates the disadvantages of prior intrusive instruments, which necessitate the removal of a test specimen from the ground. A prototype instrument can measure airflow resistivities in the range 10-5000 cgs rayl/cm, at specimen depths up to 15.24 cm (6 in.), and at differential pressures up to 2490.8 dyn sq cm (1 in. H2O) across the specimen. Because of the close relationship between flow resistivity and acoustic impedance, this instrument should prove useful in acoustical studies of the earth's ground surface. Results of airflow resistivity measurements on an uncultivated grass field for varying values of moisture content are presented.
Surface/subsurface observation and removal mechanisms of ground reaction bonded silicon carbide
Yao, Wang; Zhang, Yu-Min; Han, Jie-cai; Zhang, Yun-long; Zhang, Jian-han; Zhou, Yu-feng; Han, Yuan-yuan
2006-01-01
Reaction Bonded Silicon Carbide (RBSiC) has long been recognized as a promising material for optical applications because of its unique combination of favorable properties and low-cost fabrication. Grinding of silicon carbide is difficult because of its high hardness and brittleness. Grinding often induces surface and subsurface damage, residual stress and other types of damage, which have great influence on the ceramic components for optical application. In this paper, surface integrity, subsurface damage and material removal mechanisms of RBSiC ground using diamond grinding wheel on creep-feed surface grinding machine are investigated. The surface and subsurface are studied with scanning electron microscopy (SEM) and optical microscopy. The effects of grinding conditions on surface and subsurface damage are discussed. This research links the surface roughness, surface and subsurface cracks to grinding parameters and provides valuable insights into the material removal mechanism and the dependence of grind induced damage on grinding conditions.
Ground-water recharge in the arid and semiarid southwestern United States
Stonestrom, David A.; Constantz, Jim; Ferré, Ty P.A.; Leake, Stanley A.
2007-01-01
areas, and distinct modes of recharge in the Colorado Plateau and Basin and Range subregions.The chapters in this professional paper present (first) an overview of climatic and hydrogeologic framework (chapter A), followed by a regional analysis of ground-water recharge across the entire study area (chapter B). These are followed by an overview of site-specific case studies representing different subareas of the geographically diverse arid and semiarid southwestern United States (chapter C); the case studies themselves follow in chapters D–K. The regional analysis includes detailed hydrologic modeling within the framework of a high-resolution geographic-information system (GIS). Results from the regional analysis are used to explore both the distribution of ground-water recharge for mean climatic conditions as well as the influence of two climatic patterns—the El Niño-Southern Oscillation and Pacific Decadal Oscillation—that impart a high degree of variability to the hydrologic cycle. Individual case studies employ a variety of geophysical and geochemical techniques to investigate recharge processes and relate the processes to local geologic and climatic conditions. All of the case studies made use of naturally occurring tracers to quantify recharge. Thermal and geophysical techniques that were developed in the course of the studies are presented in appendices.The quantification of ground-water recharge in arid settings is inherently difficult due to the generally low amount of recharge, its spatially and temporally spotty nature, and the absence of techniques for directly measuring fluxes entering the saturated zone from the unsaturated zone. Deep water tables in arid alluvial basins correspond to thick unsaturated zones that produce up to millennial time lags between changes in hydrologic conditions at the land surface and subsequent changes in recharge to underlying ground water. Recent advances in physical, chemical, isotopic, and modeling techniques have
Surface and ground water quality in a restored urban stream affected by road salts
In 2001 research began in Minebank Run, MD to examine the impact of restoration on water quality. Our research area was to determine if road salts in the surface and ground waters are detrimental to the stream channel restoration. The upstream reach (UP), above the Baltimore I-...
Emissions of nitrous oxide and methane from surface and ground waters in Germany
International Nuclear Information System (INIS)
Hiessl, H.
1993-01-01
The paper provides a first estimation of the contribution of inland freshwater systems (surface waters and ground waters) to the emission of the greenhouse gases nitrous oxide and methane in Germany. These amounts are compared to other main sources for the emission of nitrous oxide and methane. (orig.) [de
Energy Technology Data Exchange (ETDEWEB)
Zhong, J.; Yang, S. (China University of Mining and Technology (China))
1992-05-01
By analysing the effects of ground motion and deformation on surface buildings, and drawing on the experience of damages caused by the Tangshan and Chenhai earthquakes, the authors discuss the design of brick and concrete buildings which are protected against the damaging effects of both earthquakes and mining activities. 5 figs.
The Role of Haptic Exploration of Ground Surface Information in Perception of Overhead Reachability
Pepping, Gert-Jan; Li, Francois-Xavier
2008-01-01
The authors performed an experiment in which participants (N = 24) made judgments about maximum jump and reachability on ground surfaces with different elastic properties: sand and a trampoline. Participants performed judgments in two conditions: (a) while standing and after having recently jumped
Robust Locally Weighted Regression For Ground Surface Extraction In Mobile Laser Scanning 3D Data
Directory of Open Access Journals (Sweden)
A. Nurunnabi
2013-10-01
Full Text Available A new robust way for ground surface extraction from mobile laser scanning 3D point cloud data is proposed in this paper. Fitting polynomials along 2D/3D points is one of the well-known methods for filtering ground points, but it is evident that unorganized point clouds consist of multiple complex structures by nature so it is not suitable for fitting a parametric global model. The aim of this research is to develop and implement an algorithm to classify ground and non-ground points based on statistically robust locally weighted regression which fits a regression surface (line in 2D by fitting without any predefined global functional relation among the variables of interest. Afterwards, the z (elevation-values are robustly down weighted based on the residuals for the fitted points. The new set of down weighted z-values along with x (or y values are used to get a new fit of the (lower surface (line. The process of fitting and down-weighting continues until the difference between two consecutive fits is insignificant. Then the final fit represents the ground level of the given point cloud and the ground surface points can be extracted. The performance of the new method has been demonstrated through vehicle based mobile laser scanning 3D point cloud data from urban areas which include different problematic objects such as short walls, large buildings, electric poles, sign posts and cars. The method has potential in areas like building/construction footprint determination, 3D city modelling, corridor mapping and asset management.
International Nuclear Information System (INIS)
Fuchs, J; Duffy, G J; Rowlands, W J; Lezama, A; Hannaford, P; Akulshin, A M
2007-01-01
We present an experimental study of sub-natural width resonances in fluorescence from a collimated beam of 6 Li atoms excited on the D 1 and D 2 lines by a bichromatic laser field. We show that in addition to ground-state Zeeman coherence, coherent population oscillations between ground and excited states contribute to the sub-natural resonances. High-contrast resonances of electromagnetically induced transparency and electromagnetically induced absorption due to both effects, i.e., ground-state Zeeman coherence and coherent population oscillations, are observed
Competition of ground states in URu2Si2 and UCoGe
International Nuclear Information System (INIS)
Hassinger, E.
2010-10-01
In this thesis, two uranium based heavy fermion compounds are studied under pressure. URu2Si2 has a mysterious ground state below T0 = 17.5 K at ambient pressure. The order parameter has not been identified yet which led to the name 'hidden order' (HO). In addition, below 1.5 K the system becomes superconducting. With pressure, the ground state switches from the HO phase to an antiferromagnetic (AF) phase at a critical pressure and superconductivity is concomitantly suppressed. Shubnikov-de Haas measurements under pressure show that the Fermi surface doesn't change between the two phases. The folding of the Fermi surface which occurs in the high pressure AF phase therefore already happens in the HO phase, indicating a unit cell doubling. Our measurements of the complete angular dependence of the oscillation frequencies test the electronic structure and support new theoretical band structure calculations with rather itinerant 5f electrons. The second part of my research focuses on another uranium compound, UCoGe. It is one of the few known materials where superconductivity (Tsc = 0.6 K) coexists with ferromagnetism (T Curie = 2.8 K). Precise studies of the pressure phase diagram by resistivity, ac calorimetry and ac susceptibility show that the ferromagnetic phase is suppressed at a pressure of about 1 GPa and the superconducting phase extends into the paramagnetic phase induced by pressure. When ferromagnetism is suppressed to the superconducting transition no further distinct ferromagnetic anomalies are observed. Thus, the pressure phase diagram of UCoGe is unique in the class of ferromagnetic superconductors. (author)
Ion bombardment effect on surface state of metal
International Nuclear Information System (INIS)
Vaulin, E.P.; Georgieva, N.E.; Martynenko, T.P.
1990-01-01
The effect of slow argon ion bombardment on the surface microstructure of polycrystalline copper as well as the effect of surface state on sputtering of D-16 polycrystalline alloy are experimentally studied. Reduction of copper surface roughness is observed. It is shown that the D-16 alloy sputtering coefficient is sensitive to the surface state within the limits of the destructed surface layer
Seasonal Distribution of Trace Metals in Ground and Surface Water of Golaghat District, Assam, India
Directory of Open Access Journals (Sweden)
M. Boarh
2010-01-01
Full Text Available A study has been carried out on the quality of ground and surface water with respect to chromium, manganese, zinc, copper, nickel, cadmium and arsenic contamination from 28 different sources in the predominantly rural Golaghat district of Assam (India. The metals were analysed by using atomic absorption spectrometer. Water samples were collected from groundwater and surface water during the dry and wet seasons of 2008 from the different sources in 28 locations (samples. The results are discussed in the light of possible health hazards from the metals in relation to their maximum permissible limits. The study shows the quality of ground and surface water in a sizeable number of water samples in the district not to be fully satisfactory with respect to presence of the metals beyond permissible limits of WHO. The metal concentration of groundwater in the district follows the trend As>Zn>Mn>Cr>Cu>Ni>Cd in both the seasons.
International Nuclear Information System (INIS)
Yamanaka, Masanori; Honjo, Shinsuke; Kohmoto, Mahito
1996-01-01
We investigate one-dimensional strongly correlated electron models which have the resonating-valence-bond state as the exact ground state. The correlation functions are evaluated exactly using the transfer matrix method for the geometric representations of the valence-bond states. In this method, we only treat matrices with small dimensions. This enables us to give analytical results. It is shown that the correlation functions decay exponentially with distance. The result suggests that there is a finite excitation gap, and that the ground state is insulating. Since the corresponding noninteracting systems may be insulating or metallic, we can say that the gap originates from strong correlation. The persistent currents of the present models are also investigated and found to be exactly vanishing
Shielding factors for gamma radiation from activity deposited on structures and ground surfaces
International Nuclear Information System (INIS)
Hedemann Jensen, P.
1982-11-01
This report describes a computer model that calculates shielding factors for indoor residence in multistorey and single-family houses for gamma radiation from activity despoited on roofs, outer walls, and ground surfaces. The dimensions of the buildings including window areas and the nearby surroundings has to be speficied in the calculations. Shielding factors can be calculated for different photon energies and for a uniform surface activity distribution as well as for separate activity on roof, outer wall, and ground surface achieved from decontamination or different deposition velocities. For a given area with a known distribution of different houses a weighted shielding factor can be calculated as well as a time-averaged one based on a given residence time distribution for work/school, home, outdoors, and transportation. Calculated shielding factors are shown for typical Danish houses. To give an impression of the sensitivity of the shielding factor on the parameters used in the model, variations were made in some of the most important parameters: wall thickness, road and ground width, percentage of outer wall covered by windows, photon energy, and decontamination percentage for outer walls, ground and roofs. The uncertainity of the calculations is discussed. (author)
International Nuclear Information System (INIS)
Sjoreen, A.L.; Kocher, D.C.; Killough, G.G.; Miller, C.W.
1984-11-01
This report is a user's manual for MLSOIL (Multiple Layer SOIL model) and DFSOIL (Dose Factors for MLSOIL) and a documentation of the computational methods used in those two computer codes. MLSOIL calculates an effective ground surface concentration to be used in computations of external doses. This effective ground surface concentration is equal to (the computed dose in air from the concentration in the soil layers)/(the dose factor for computing dose in air from a plane). MLSOIL implements a five compartment linear-transfer model to calculate the concentrations of radionuclides in the soil following deposition on the ground surface from the atmosphere. The model considers leaching through the soil as well as radioactive decay and buildup. The element-specific transfer coefficients used in this model are a function of the k/sub d/ and environmental parameters. DFSOIL calculates the dose in air per unit concentration at 1 m above the ground from each of the five soil layers used in MLSOIL and the dose per unit concentration from an infinite plane source. MLSOIL and DFSOIL have been written to be part of the Computerized Radiological Risk Investigation System (CRRIS) which is designed for assessments of the health effects of airborne releases of radionuclides. 31 references, 3 figures, 4 tables
Nonspherical atomic ground-state densities and chemical deformation densities from x-ray scattering
International Nuclear Information System (INIS)
Ruedenberg, K.; Schwarz, W.H.E.
1990-01-01
Presuming that chemical insight can be gained from the difference between the molecular electron density and the superposition of the ground-state densities of the atoms in a molecule, it is pointed out that, for atoms with degenerate ground states, an unpromoted ''atom in a molecule'' is represented by a specific ensemble of the degenerate atomic ground-state wave functions and that this ensemble is determined by the anisotropic local surroundings. The resulting atomic density contributions are termed oriented ground state densities, and the corresponding density difference is called the chemical deformation density. The constraints implied by this conceptual approach for the atomic density contributions are formulated and a method is developed for determining them from x-ray scattering data. The electron density of the appropriate promolecule and its x-ray scattering are derived, the determination of the parameters of the promolecule is outlined, and the chemical deformation density is formulated
Theoretical Grounds of Formation of the Efficient State Economic Policy
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Semyrak Oksana S.
2013-12-01
Full Text Available The article conducts historical and analytical analysis of views on the role of state administration in the sphere of economic relations by various economic directions in order to allocate traditional and newest essential reference points of the modern theory of state regulation of economy. It identifies specific features of modern models of economic policy that envisage setting goals by the state, selection of relevant efficient tools and mathematic function, which would describe dependencies between them. It considers the concept of the basic theory of economic policy of Jan Tinbergen, its advantages and shortcomings. It studies prerequisites and conducts analysis of the modern concept of the role of state in economy as a subject of the market. It considers the modern concept of economic socio-dynamics, pursuant to which the main task of the state is maximisation of social usefulness and permanent improvement of the Pareto-optimal. It considers the “socio-dynamic multiplicator” notion, which envisages availability of three main components: social effect from activity of the state, yearning of individuals for creation of something new and availability of formal and informal institutions that united first two elements.
Pade approximants for the ground-state energy of closed-shell quantum dots
International Nuclear Information System (INIS)
Gonzalez, A.; Partoens, B.; Peeters, F.M.
1997-08-01
Analytic approximations to the ground-state energy of closed-shell quantum dots (number of electrons from 2 to 210) are presented in the form of two-point Pade approximants. These Pade approximants are constructed from the small- and large-density limits of the energy. We estimated that the maximum error, reached for intermediate densities, is less than ≤ 3%. Within that present approximation the ground-state is found to be unpolarized. (author). 21 refs, 3 figs, 2 tabs
Many electron variational ground state of the two dimensional Anderson lattice
International Nuclear Information System (INIS)
Zhou, Y.; Bowen, S.P.; Mancini, J.D.
1991-02-01
A variational upper bound of the ground state energy of two dimensional finite Anderson lattices is determined as a function of lattice size (up to 16 x 16). Two different sets of many-electron basis vectors are used to determine the ground state for all values of the coulomb integral U. This variational scheme has been successfully tested for one dimensional models and should give good estimates in two dimensions
Ground-state energy for 1D (t,U,X)-model at low densities
International Nuclear Information System (INIS)
Buzatu, F.D.
1992-09-01
In describing the properties of quasi-1D materials with a highly-screened interelectronic potential, an attractive hopping term has to be added to the Hubbard Hamiltonian. The effective interaction and the ground-state energy in ladder approximation are analyzed. At low electronic densities, the attractive part of the interaction, initially smaller than the repulsive term, can become more effective, the ground-state energy decreasing below the unperturbed value. (author). 12 refs, 4 figs
Skocek, Oliver; Uiberacker, Christoph; Jakubetz, Werner
2011-06-30
A computational investigation of HCN → HNC isomerization in the electronic ground state by one- and few-cycle infrared pulses is presented. Starting from a vibrationally pre-excited reagent state, isomerization yields of more than 50% are obtained using single one- to five-cycle pulses. The principal mechanism includes two steps of population transfer by dipole-resonance (DR), and hence, the success of the method is closely linked to the polarity of the system and, in particular, the stepwise change of the dipole moment from reactant to transition state and on to products. The yield drops massively if the diagonal dipole matrix elements are artificially set to zero. In detail, the mechanism includes DR-induced preparation of a delocalized vibrational wavepacket, which traverses the barrier region and is finally trapped in the product well by DR-dominated de-excitation. The excitation and de-excitation steps are triggered by pulse lobes of opposite field direction. As the number of optical cycles is increased, the leading field lobes prepare a vibrational superposition state by off-resonant ladder climbing, which is then subjected to the three steps of the principal isomerization mechanism. DR excitation is more efficient from a preformed vibrational wavepacket than from a molecular eigenstate. The entire process can be loosely described as Tannor-Kosloff-Rice type transfer mechanism on a single potential surface effected by a single pulse, individual field lobes assuming the roles of pump- and dump-pulses. Pre-excitation to a transient wavepacket can be enhanced by applying a separate, comparatively weak few-cycle prepulse, in which the prepulse prepares a vibrational wavepacket. The two-pulse setup corresponds to a double Tannor-Kosloff-Rice control scheme on a single potential surface.
International Nuclear Information System (INIS)
Suo, Bingbing; Yu, Yan-Mei; Han, Huixian
2015-01-01
We present the fully relativistic multi-reference configuration interaction calculations of the ground and low-lying excited electronic states of IrO for individual spin-orbit component. The lowest-lying state is calculated for Ω = 1/2, 3/2, 5/2, and 7/2 in order to clarify the ground state of IrO. Our calculation suggests that the ground state is of Ω = 1/2, which is highly mixed with 4 Σ − and 2 Π states in Λ − S notation. The two low-lying states 5/2 and 7/2 are nearly degenerate with the ground state and locate only 234 and 260 cm −1 above, respectively. The equilibrium bond length 1.712 Å and the harmonic vibrational frequency 903 cm −1 of the 5/2 state are close to the experimental measurement of 1.724 Å and 909 cm −1 , which suggests that the 5/2 state should be the low-lying state that contributes to the experimental spectra. Moreover, the electronic states that give rise to the observed transition bands are assigned for Ω = 5/2 and 7/2 in terms of the obtained excited energies and oscillator strengths
Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes.
Fayet, Guillaume; Jacquemin, Denis; Wathelet, Valérie; Perpète, Eric A; Rotureau, Patricia; Adamo, Carlo
2010-02-26
This work presents a quantitative structure-property relationship (QSPR)-based approach allowing an accurate prediction of the excited-state properties of organic dyes (anthraquinones and azobenzenes) from ground-state molecular descriptors, obtained within the (conceptual) density functional theory (DFT) framework. The ab initio computation of the descriptors was achieved at several levels of theory, so that the influence of the basis set size as well as of the modeling of environmental effects could be statistically quantified. It turns out that, for the entire data set, a statistically-robust four-variable multiple linear regression based on PCM-PBE0/6-31G calculations delivers a R(adj)(2) of 0.93 associated to predictive errors allowing for rapid and efficient dye design. All the selected descriptors are independent of the dye's family, an advantage over previously designed QSPR schemes. On top of that, the obtained accuracy is comparable to the one of the today's reference methods while exceeding the one of hardness-based fittings. QSPR relationships specific to both families of dyes have also been built up. This work paves the way towards reliable and computationally affordable color design for organic dyes. Copyright 2009 Elsevier Inc. All rights reserved.
Equilibrium states and ground state of two-dimensional fluid foams
International Nuclear Information System (INIS)
Graner, F.; Jiang, Y.; Janiaud, E.; Flament, C.
2001-01-01
We study the equilibrium energies of two-dimensional (2D) noncoarsening fluid foams, which consist of bubbles with fixed areas. The equilibrium states correspond to local minima of the total perimeter. We present a theoretical derivation of energy minima; experiments with ferrofluid foams, which can be either highly distorted, locally relaxed, or globally annealed; and Monte Carlo simulations using the extended large-Q Potts model. For a dry foam with small size variance we develop physical insight and an electrostatic analogy, which enables us to (i) find an approximate value of the global minimum perimeter, accounting for (small) area disorder, the topological distribution, and physical boundary conditions; (ii) conjecture the corresponding pattern and topology: small bubbles sort inward and large bubbles sort outward, topological charges of the same signs ''repel'' while charges of the opposite signs ''attract;'' (iii) define local and global markers to determine directly from an image how far a foam is from its ground state; (iv) conjecture that, in a local perimeter minimum at prescribed topology, the pressure distribution and thus the edge curvature are unique. Some results also apply to 3D foams
Fermionic molecular dynamics for ground states and collisions of nuclei
International Nuclear Information System (INIS)
Feldmeier, H.; Bieler, K.; Schnack, J.
1994-08-01
The antisymmetric many-body trial state which describes a system of interacting fermions is parametrized in terms of localized wave packets. The equations of motion are derived from the time-dependent quantum variational principle. The resulting Fermionic Molecular Dynamics (FMD) equations include a wide range of semi-quantal to classical physics extending from deformed Hartree-Fock theory to Newtonian molecular dynamics. Conservation laws are discussed in connection with the choice of the trial state. The model is applied to heavy-ion collisions with which its basic features are illustrated. The results show a great variety of phenomena including deeply inelastic collisions, fusion, incomplete fusion, fragmentation, neck emission, promptly emitted nucleons and evaporation. (orig.)
Magnetic excitations in intermediate valence semiconductors with singlet ground state
International Nuclear Information System (INIS)
Kikoin, K.A.; Mishchenko, A.S.
1994-01-01
The explanation of the origin inelastic peaks in magnetic neutron scattering spectra of the mixed-valent semiconductor SmB 6 is proposed. It is shown that the excitonic theory of intermediate valence state not only gives the value of the peak frequency but also explains the unusual angular dependence of intensity of inelastic magnetic scattering and describes the dispersion of magnetic excitations in good agreement with experiment
Ground state magnetic properties of Fe nanoislands on Cu(111)
International Nuclear Information System (INIS)
Kishi, Tomoya; David, Melanie; Nakanishi, Hiroshi; Kasai, Hideaki; Dino, Wilson Agerico; Komori, Fumio
2005-01-01
We investigate magnetic properties of Fe nanoislands on Cu(111) in the relaxed structure within the density functional theory. We observe that the nanoislands exhibit the ferromagnetic properties with large magnetic moment. We find that the change in the magnetic moment of each Fe atom is induced by deposition on Cu(111) and structure relaxation of Fe nanoislands. Moreover, we examine the stability of ferromagnetic states of Fe nanoislands by performing the total energy calculations. (author)
Gapless Spin-Liquid Ground State in the S =1 /2 Kagome Antiferromagnet
Liao, H. J.; Xie, Z. Y.; Chen, J.; Liu, Z. Y.; Xie, H. D.; Huang, R. Z.; Normand, B.; Xiang, T.
2017-03-01
The defining problem in frustrated quantum magnetism, the ground state of the nearest-neighbor S =1 /2 antiferromagnetic Heisenberg model on the kagome lattice, has defied all theoretical and numerical methods employed to date. We apply the formalism of tensor-network states, specifically the method of projected entangled simplex states, which combines infinite system size with a correct accounting for multipartite entanglement. By studying the ground-state energy, the finite magnetic order appearing at finite tensor bond dimensions, and the effects of a next-nearest-neighbor coupling, we demonstrate that the ground state is a gapless spin liquid. We discuss the comparison with other numerical studies and the physical interpretation of this result.
Directory of Open Access Journals (Sweden)
C. Albergel
2012-10-01
Full Text Available In situ soil moisture data from 122 stations across the United States are used to evaluate the impact of a new bare ground evaporation formulation at ECMWF. In November 2010, the bare ground evaporation used in ECMWF's operational Integrated Forecasting System (IFS was enhanced by adopting a lower stress threshold than for the vegetation, allowing a higher evaporation. It results in more realistic soil moisture values when compared to in situ data, particularly over dry areas. Use was made of the operational IFS and offline experiments for the evaluation. The latter are based on a fixed version of the IFS and make it possible to assess the impact of a single modification, while the operational analysis is based on a continuous effort to improve the analysis and modelling systems, resulting in frequent updates (a few times a year. Considering the field sites with a fraction of bare ground greater than 0.2, the root mean square difference (RMSD of soil moisture is shown to decrease from 0.118 m^{3} m^{−3} to 0.087 m^{3} m^{−3} when using the new formulation in offline experiments, and from 0.110 m^{3} m^{−3} to 0.088 m^{3} m^{−3} in operations. It also improves correlations. Additionally, the impact of the new formulation on the terrestrial microwave emission at a global scale is investigated. Realistic and dynamically consistent fields of brightness temperature as a function of the land surface conditions are required for the assimilation of the SMOS data. Brightness temperature simulated from surface fields from two offline experiments with the Community Microwave Emission Modelling (CMEM platform present monthly mean differences up to 7 K. Offline experiments with the new formulation present drier soil moisture, hence simulated brightness temperature with its surface fields are larger. They are also closer to SMOS remotely sensed brightness temperature.
Conceptual design for relocation of the underground monitoring systems to ground surface
International Nuclear Information System (INIS)
Toya, Naruhisa; Ogawa, Ken; Iwatsuki, Teruki; Ohnuki, Kenji
2015-09-01
One of the major subjects of the ongoing geoscientific research program, the Mizunami Underground Research Laboratory (MIU) Project in the Tono area, central Japan, is accumulation of knowledge on a recovery of the geological environment during and after the facility closure. Then it is necessary to plan the observation system which can be use of after the backfill of research tunnels. The main purpose of this report is contribution to the detailed design for relocation of the underground monitoring systems to ground surface. We discussed the restriction and requirement for the underground monitoring systems which can be use of after the backfill. Furthermore, we made the conceptual design for relocation of the current underground monitoring systems to ground surface. (author)
International Nuclear Information System (INIS)
1994-09-01
The Uranium Mill Tailings Remedial Action (UMTRA) Project Technical Assistance Contractor (TAC) Quality Assurance Implementation Plan (QAIP) outlines the primary requirements for integrating quality functions for TAC technical activities applied to the surface and ground water phases of the UMTRA Project. The QAIP is subordinate to the latest issue of the UMTRA Project TAC Quality Assurance Program Plan (QAPP). The QAIP addresses technical aspects of the TAC UMTRA Project surface and ground water programs. The QAIP is authorized and approved by the TAC Project Manager and QA manager. The QA program is designed to use monitoring, audit, and surveillance functions as management tools to ensure that all Project organization activities are carried out in a manner that will protect public health and safety, promote the success of the UMTRA Project and meet or exceed contract requirements
Raabe, Ellen A.; Harris, Melanie S.; Shrestha, Ramesh L.; Carter, William E.
2008-01-01
The geomorphology and vegetation of marsh-dominated coastal lowlands were mapped from airborne laser data points collected on the Gulf Coast of Florida near Cedar Key. Surface models were developed using low- and high-point filters to separate ground-surface and vegetation-canopy intercepts. In a non-automated process, the landscape was partitioned into functional landscape units to manage the modeling of key landscape features in discrete processing steps. The final digital ground surface-elevation model offers a faithful representation of topographic relief beneath canopies of tidal marsh and coastal forest. Bare-earth models approximate field-surveyed heights by + 0.17 m in the open marsh and + 0.22 m under thick marsh or forest canopy. The laser-derived digital surface models effectively delineate surface features of relatively inaccessible coastal habitats with a geographic coverage and vertical detail previously unavailable. Coastal topographic details include tidal-creek tributaries, levees, modest topographic undulations in the intertidal zone, karst features, silviculture, and relict sand dunes under coastal-forest canopy. A combination of laser-derived ground-surface and canopy-height models and intensity values provided additional mapping capabilities to differentiate between tidal-marsh zones and forest types such as mesic flatwood, hydric hammock, and oak scrub. Additional derived products include fine-scale shoreline and topographic profiles. The derived products demonstrate the capability to identify areas of concern to resource managers and unique components of the coastal system from laser altimetry. Because the very nature of a wetland system presents difficulties for access and data collection, airborne coverage from remote sensors has become an accepted alternative for monitoring wetland regions. Data acquisition with airborne laser represents a viable option for mapping coastal topography and for evaluating habitats and coastal change on marsh
International Nuclear Information System (INIS)
Zhang Guangming; Yu Lu
2000-04-01
The ground-state phase diagram of a half-filled anisotropic Kondo lattice model is calculated within a mean-field theory. For small transverse exchange coupling J perpendicular perpendicular c1 , the ground state shows an antiferromagnetic long-range order with finite staggered magnetizations of both localized spins and conduction electrons. When J perpendicular > J perpendicular c2 , the long-range order is destroyed and the system is in a disordered Kondo singlet state with a hybridization gap. Both ground states can describe the low-temperature phases of Kondo insulating compounds. Between these two distinct phases, there may be a coexistent regime as a result of the balance between local Kondo screening and magnetic interactions. (author)
Degenerate ground states and multiple bifurcations in a two-dimensional q-state quantum Potts model.
Dai, Yan-Wei; Cho, Sam Young; Batchelor, Murray T; Zhou, Huan-Qiang
2014-06-01
We numerically investigate the two-dimensional q-state quantum Potts model on the infinite square lattice by using the infinite projected entangled-pair state (iPEPS) algorithm. We show that the quantum fidelity, defined as an overlap measurement between an arbitrary reference state and the iPEPS ground state of the system, can detect q-fold degenerate ground states for the Z_{q} broken-symmetry phase. Accordingly, a multiple bifurcation of the quantum ground-state fidelity is shown to occur as the transverse magnetic field varies from the symmetry phase to the broken-symmetry phase, which means that a multiple-bifurcation point corresponds to a critical point. A (dis)continuous behavior of quantum fidelity at phase transition points characterizes a (dis)continuous phase transition. Similar to the characteristic behavior of the quantum fidelity, the magnetizations, as order parameters, obtained from the degenerate ground states exhibit multiple bifurcation at critical points. Each order parameter is also explicitly demonstrated to transform under the Z_{q} subgroup of the symmetry group of the Hamiltonian. We find that the q-state quantum Potts model on the square lattice undergoes a discontinuous (first-order) phase transition for q=3 and q=4 and a continuous phase transition for q=2 (the two-dimensional quantum transverse Ising model).
g-factor of the ground state of 73Se
International Nuclear Information System (INIS)
Nishimura, Katsuhiko; Ohya, Susumu; Mutsuro, Naoshi
1987-01-01
Nuclear magnetic resonance on oriented 73 Se in an iron host has been observed at about 7mK. From resonance-shift measurement, the magnetic hyperfine-splitting frequency μ M , g-factor and magnetic hyperfine field were derived as μ M =102.61(3)MH z , |g(9/2 + )|=0.188(16) and B HF ( 73 SeFe)=716(81)kG. The experimental values of the g-factors of the g 9/2 neutron states, in the neighborhood of the neutron number 40, are compared with the theoretical values based on the core-polarization model. (author)
Engineering an all-optical route to ultracold molecules in their vibronic ground state
Koch, Christiane P.; Moszynski, Robert
2008-01-01
We propose an improved photoassociation scheme to produce ultracold molecules in their vibronic ground state for the generic case where non-adiabatic effects facilitating transfer to deeply bound levels are absent. Formation of molecules is achieved by short laser pulses in a Raman-like pump-dump process where an additional near-infrared laser field couples the excited state to an auxiliary state. The coupling due to the additional field effectively changes the shape of the excited state pote...
Mandrà, Salvatore; Zhu, Zheng; Katzgraber, Helmut G
2017-02-17
We study the performance of the D-Wave 2X quantum annealing machine on systems with well-controlled ground-state degeneracy. While obtaining the ground state of a spin-glass benchmark instance represents a difficult task, the gold standard for any optimization algorithm or machine is to sample all solutions that minimize the Hamiltonian with more or less equal probability. Our results show that while naive transverse-field quantum annealing on the D-Wave 2X device can find the ground-state energy of the problems, it is not well suited in identifying all degenerate ground-state configurations associated with a particular instance. Even worse, some states are exponentially suppressed, in agreement with previous studies on toy model problems [New J. Phys. 11, 073021 (2009)NJOPFM1367-263010.1088/1367-2630/11/7/073021]. These results suggest that more complex driving Hamiltonians are needed in future quantum annealing machines to ensure a fair sampling of the ground-state manifold.
Atmospheric effect on the ground-based measurements of broadband surface albedo
Directory of Open Access Journals (Sweden)
T. Manninen
2012-11-01
Full Text Available Ground-based pyranometer measurements of the (clear-sky broadband surface albedo are affected by the atmospheric conditions (mainly by aerosol particles, water vapour and ozone. A new semi-empirical method for estimating the magnitude of the effect of atmospheric conditions on surface albedo measurements in clear-sky conditions is presented. Global and reflected radiation and/or aerosol optical depth (AOD at two wavelengths are needed to apply the method. Depending on the aerosol optical depth and the solar zenith angle values, the effect can be as large as 20%. For the cases we tested using data from the Cabauw atmospheric test site in the Netherlands, the atmosphere caused typically up to 5% overestimation of surface albedo with respect to corresponding black-sky surface albedo values.
Ground state energy and width of 7He from 8Li proton knockout
International Nuclear Information System (INIS)
Denby, D. H.; DeYoung, P. A.; Hall, C. C.; Baumann, T.; Bazin, D.; Spyrou, A.; Breitbach, E.; Howes, R.; Brown, J.; Frank, N.; Gade, A.; Mosby, S. M.; Peters, W. A.; Thoennessen, M.; Hinnefeld, J.; Hoffman, C. R.; Jenson, R. A.; Luther, B.; Olson, C. W.; Schiller, A.
2008-01-01
The ground state energy and width of 7 He has been measured with the Modular Neutron Array (MoNA) and superconducting dipole Sweeper magnet experimental setup at the National Superconducting Cyclotron Laboratory. 7 He was produced by proton knockout from a secondary 8 Li beam. The measured decay energy spectrum is compared to simulations based on Breit-Wigner line shape with an energy-dependent width for the resonant state. The energy of the ground state is found to be 400(10) keV with a full-width at half-maximum of 125( -15 +40 ) keV
Extended random-phase approximation with three-body ground-state correlations
International Nuclear Information System (INIS)
Tohyama, M.; Schuck, P.
2008-01-01
An extended random-phase approximation (ERPA) which contains the effects of ground-state correlations up to a three-body level is applied to an extended Lipkin model which contains an additional particle-scattering term. Three-body correlations in the ground state are necessary to preserve the hermiticity of the Hamiltonian matrix of ERPA. Two approximate forms of ERPA which neglect the three-body correlations are also applied to investigate the importance of three-body correlations. It is found that the ground-state energy is little affected by the inclusion of the three-body correlations. On the contrary, three-body correlations for the excited states can become quite important. (orig.)
Quantum ground state and single-phonon control of a mechanical resonator.
O'Connell, A D; Hofheinz, M; Ansmann, M; Bialczak, Radoslaw C; Lenander, M; Lucero, Erik; Neeley, M; Sank, D; Wang, H; Weides, M; Wenner, J; Martinis, John M; Cleland, A N
2010-04-01
Quantum mechanics provides a highly accurate description of a wide variety of physical systems. However, a demonstration that quantum mechanics applies equally to macroscopic mechanical systems has been a long-standing challenge, hindered by the difficulty of cooling a mechanical mode to its quantum ground state. The temperatures required are typically far below those attainable with standard cryogenic methods, so significant effort has been devoted to developing alternative cooling techniques. Once in the ground state, quantum-limited measurements must then be demonstrated. Here, using conventional cryogenic refrigeration, we show that we can cool a mechanical mode to its quantum ground state by using a microwave-frequency mechanical oscillator-a 'quantum drum'-coupled to a quantum bit, which is used to measure the quantum state of the resonator. We further show that we can controllably create single quantum excitations (phonons) in the resonator, thus taking the first steps to complete quantum control of a mechanical system.
Learning Approach on the Ground State Energy Calculation of Helium Atom
International Nuclear Information System (INIS)
Shah, Syed Naseem Hussain
2010-01-01
This research investigated the role of learning approach on the ground state energy calculation of Helium atom in improving the concepts of science teachers at university level. As the exact solution of several particles is not possible here we used approximation methods. Using this method one can understand easily the calculation of ground state energy of any given function. Variation Method is one of the most useful approximation methods in estimating the energy eigen values of the ground state and the first few excited states of a system, which we only have a qualitative idea about the wave function.The objective of this approach is to introduce and involve university teacher in new research, to improve their class room practices and to enable teachers to foster critical thinking in students.
Probing the 8He ground state via the 8He(p,t)6He reaction
International Nuclear Information System (INIS)
Keeley, N.; Skaza, F.; Lapoux, V.; Alamanos, N.; Auger, F.; Beaumel, D.; Becheva, E.; Blumenfeld, Y.; Delaunay, F.; Drouart, A.; Gillibert, A.; Giot, L.; Kemper, K.W.; Nalpas, L.; Pakou, A.; Pollacco, E.C.; Raabe, R.; Roussel-Chomaz, P.; Rusek, K.; Scarpaci, J.-A.; Sida, J.-L.; Stepantsov, S.; Wolski, R.
2007-01-01
The weakly-bound 8 He nucleus exhibits a neutron halo or thick neutron skin and is generally considered to have an α+4n structure in its ground state, with the four valence neutrons each occupying 1p 3/2 states outside the α core. The 8 He(p,t) 6 He reaction is a sensitive probe of the ground state structure of 8 He, and we present a consistent analysis of new and existing data for this reaction at incident energies of 15.7 and 61.3A MeV, respectively. Our results are incompatible with the usual assumption of a pure (1p 3/2 ) 4 structure and suggest that other configurations such as (1p 3/2 ) 2 (1p 1/2 ) 2 may be present with significant probability in the ground state wave function of 8 He
Nalley, G.M.; Gorman, J.G.; Goodrich, R.D.; Miller, V.E.; Turco, M.J.; Linhart, S.M.
2002-01-01
The Water Resources Division of the U.S. Geological Survey, in cooperation with State, county, municipal, and other Federal agencies, obtains a large amount of data pertaining to the water resources of Iowa each water year. These data, accumulated during many water years, constitute a valuable data base for developing an improved understanding of the water resources of the State. To make this data readily available to interested parties outside of the Geological Survey, the data is published annually in this report series entitled “Water Resources Data - Iowa” as part of the National Water Data System. Water resources data for water year 2001 for Iowa consists of records of stage, discharge, and water quality of streams; stage and contents of lakes and reservoirs; and water levels and water quality of ground water. This report, in two volumes, contains stage or discharge records for 132 gaging stations; stage records for 9 lakes and reservoirs; water-quality records for 4 gaging stations; sediment records for 13 gaging stations; and water levels for 163 ground-water observation wells. Also included are peak-flow data for 92 crest-stage partial-record stations, water-quality data from 86 municipal wells, and precipitation data collected at 6 gaging stations and 2 precipitation sites. Additional water data were collected at various sites not included in the systematic data-collection program, and are published here as miscellaneous measurements and analyses. These data represent that part of the National Water Data System operated by the U.S. Geological Survey and cooperating local, State, and Federal agencies in Iowa.Records of discharge or stage of streams, and contents or stage of lakes and reservoirs were first published in a series of U.S. Geological Survey water-supply papers entitled “Surface Water Supply of the United States.” Through September 30, 1960, these water-supply papers were published in an annual series; during 1961-65 and 1966-70, they
Ground water share in supplying domestic water in Khartoum state
International Nuclear Information System (INIS)
Mohammed, M. E. A.
2010-10-01
In this research study of the sources of groundwater from wells and stations that rely on the national authority for urban water in the state of Khartoum, this study includes three areas, namely the Khartoum area, North Khartoum and Omdurman area. This research evaluate and identify the sources of groundwater from wells and stations and find out the productivity of wells and underground stations. The study period were identified from 2004 to 2008 during this commoners were Alabaralgeoffip Knowledge Production and stations from the water. The methods used in this study was to determine the sources of groundwater from wells and stations in the three areas with the knowledge of the percentage in each year and the total amount of water produced from wells and stations in Khartoum, North Khartoum and Omdurman it is clear from this study that the percentage of productivity in the annual increase to varying degrees in floater from 2004 to 2008 and also clear that the Omdurman area depends on groundwater wells over a maritime area of stations based on stations with more and more consumption of Khartoum and the sea. Also been identified on the tank top and bottom of the tank where the chemical properties and physical properties after the identification of these qualities and characteristics have been identified the quantity and quality of water produced from wells and stations. (Author)
Ground state properties of MnB{sub 4}
Energy Technology Data Exchange (ETDEWEB)
Winter, Jan Lennart; Steinki, Nico; Schulze Grachtrup, Dirk; Menzel, Dirk; Suellow, Stefan [Institut fuer Physik der Kondensierten Materie, TU Braunschweig (Germany); Knappschneider, Arno; Albert, Barbara [Eduard-Zintl-Institut fuer Anorganische und Physikalische Chemie, TU Darmstadt (Germany)
2016-07-01
Recently, single crystalline MnB{sub 4} was synthesized for the first time, yielding microscale crystals with dimensions of the order of 200 μm. Based on band structure calculations, it was argued that the material is semiconducting as result of a Peierls distortion. Conversely, in a study of polycrystalline material it was concluded that the material is a weakly ferromagnetic metal. To establish if MnB{sub 4} is a semiconductor we have carried out single crystal four point resistivity measurements. For this purpose a setup for measuring microscale samples was developed and characterized. Qualitatively, we find semiconducting behavior (increasing resistivity for decreasing temperature), although a band gap could not be derived because of a non-linear Arrhenius plot. Our data are consistent with MnB{sub 4} being a pseudogap/small gap material as proposed. A pronounced sample dependence of the transport properties points to the presence of impurity states. For the single crystals no ferromagnetic signatures could be obtained, suggesting an extrinsic cause of it in polycrystalline material.
Stability and related properties of vacua and ground states
International Nuclear Information System (INIS)
Wreszinski, Walter F.; Jaekel, Christian D.
2008-01-01
We consider the formal non-relativistic limit (nrl) of the :φ 4 : s+1 relativistic quantum field theory (rqft), where s is the space dimension. Following the work of R. Jackiw [R. Jackiw, in: A. Ali, P. Hoodbhoy (Eds.), Beg Memorial Volume, World Scientific, Singapore, 1991], we show that, for s = 2 and a given value of the ultraviolet cutoff κ, there are two ways to perform the nrl: (i) fixing the renormalized mass m 2 equal to the bare mass m 0 2 ; (ii) keeping the renormalized mass fixed and different from the bare mass m 0 2 . In the (infinite-volume) two-particle sector the scattering amplitude tends to zero as κ → ∞ in case (i) and, in case (ii), there is a bound state, indicating that the interaction potential is attractive. As a consequence, stability of matter fails for our boson system. We discuss why both alternatives do not reproduce the low-energy behaviour of the full rqft. The singular nature of the nrl is also nicely illustrated for s = 1 by a rigorous stability/instability result of a different nature
Fingler, Sanja; Mendaš, G; Dvoršćak, M; Stipičević, S; Vasilić, Ž; Drevenkar, V
2017-04-01
The frequency and mass concentrations of 13 herbicide micropollutants (triazines, phenylureas, chloroacetanilides and trifluralin) were investigated during 2014 in surface, ground and drinking waters in the area of the city of Zagreb and its suburbs. Herbicide compounds were accumulated from water by solid-phase extraction using either octadecylsilica or styrene-divinylbenzene sorbent cartridges and analysed either by high-performance liquid chromatography with UV-diode array detector or gas chromatography with mass spectrometric detection. Atrazine was the most frequently detected herbicide in drinking (84 % of samples) and ground (61 % of samples) waters in mass concentrations of 5 to 68 ng L -1 . It was followed by metolachlor and terbuthylazine, the former being detected in 54 % of drinking (up to 15 ng L -1 ) and 23 % of ground (up to 100 ng L -1 ) waters, and the latter in 45 % of drinking (up to 20 ng L -1 ) and 26 % of ground (up to 25 ng L -1 ) water samples. Acetochlor was the fourth most abundant herbicide in drinking waters, detected in 32 % of samples. Its mass concentrations of 107 to 117 ng L -1 in three tap water samples were the highest of all herbicides measured in the drinking waters. The most frequently (62 % of samples) and highly (up to 887 ng L -1 ) detected herbicide in surface waters was metolachlor, followed by terbuthylazine detected in 49 % of samples in mass concentrations of up to 690 ng L -1 , and atrazine detected in 30 % of samples in mass concentrations of up to 18 ng L -1 . The seasonal variations in herbicide concentrations in surface waters were observed for terbuthylazine, metolachlor, acetochlor, chlortoluron and isoproturon with the highest concentrations measured from April to August.
Democratic Republic of Congo A Fertile Ground for Instability in the Great Lakes Region States
2017-06-09
ravaged by a brutal armed conflict. In comparison to the three past presidents, Joseph Kabila has managed to restore political stability and calm to much...DEMOCRATIC REPUBLIC OF CONGO-A FERTILE GROUND FOR INSTABILITY IN THE GREAT LAKES REGION STATES A thesis presented to the Faculty of...From - To) AUG 2016 – JUNE 2017 4. TITLE AND SUBTITLE Democratic Republic of Congo-A Fertile Ground for Instability in the Great Lakes Region
Construction of ground-state preserving sparse lattice models for predictive materials simulations
Huang, Wenxuan; Urban, Alexander; Rong, Ziqin; Ding, Zhiwei; Luo, Chuan; Ceder, Gerbrand
2017-08-01
First-principles based cluster expansion models are the dominant approach in ab initio thermodynamics of crystalline mixtures enabling the prediction of phase diagrams and novel ground states. However, despite recent advances, the construction of accurate models still requires a careful and time-consuming manual parameter tuning process for ground-state preservation, since this property is not guaranteed by default. In this paper, we present a systematic and mathematically sound method to obtain cluster expansion models that are guaranteed to preserve the ground states of their reference data. The method builds on the recently introduced compressive sensing paradigm for cluster expansion and employs quadratic programming to impose constraints on the model parameters. The robustness of our methodology is illustrated for two lithium transition metal oxides with relevance for Li-ion battery cathodes, i.e., Li2xFe2(1-x)O2 and Li2xTi2(1-x)O2, for which the construction of cluster expansion models with compressive sensing alone has proven to be challenging. We demonstrate that our method not only guarantees ground-state preservation on the set of reference structures used for the model construction, but also show that out-of-sample ground-state preservation up to relatively large supercell size is achievable through a rapidly converging iterative refinement. This method provides a general tool for building robust, compressed and constrained physical models with predictive power.
How Conjunctive Use of Surface and Ground Water could Increase Resiliency in US?
Josset, L.; Rising, J. A.; Russo, T. A.; Troy, T. J.; Lall, U.; Allaire, M.
2016-12-01
Optimized management practices are crucial to ensuring water availability in the future. However this presents a tremendous challenge due to the many functions of water: water is not only central for our survival as drinking water or for irrigation, but it is also valued for industrial and recreational use. Sources of water meeting these needs range from rain water harvesting to reservoirs, water reuse, groundwater abstraction and desalination. A global conjunctive management approach is thus necessary to develop sustainable practices as all sectors are strongly coupled. Policy-makers and researchers have identified pluralism in water sources as a key solution to reach water security. We propose a novel approach to sustainable water management that accounts for multiple sources of water in an integrated manner. We formulate this challenge as an optimization problem where the choice of water sources is driven both by the availability of the sources and their relative cost. The results determine the optimal operational decisions for each sources (e.g. reservoirs releases, surface water withdrawals, groundwater abstraction and/or desalination water use) at each time step for a given time horizon. The physical surface and ground water systems are simulated inside the optimization by setting state equations as constraints. Additional constraints may be added to the model to represent the influence of policy decisions. To account for uncertainty in weather conditions and its impact on availability, the optimization is performed for an ensemble of climate scenarios. While many sectors and their interactions are represented, the computational cost is limited as the problem remains linear and thus enables large-scale applications and the propagation of uncertainty. The formulation is implemented within the model "America's Water Analysis, Synthesis and Heuristic", an integrated model for the conterminous US discretized at the county-scale. This enables a systematic
Ground Radiometric Method as a Tool for Determining the Surface Boundary of a Buried Bauxitic Karst
Directory of Open Access Journals (Sweden)
Kamal Kareem Ali
2011-12-01
Full Text Available Forty two ground radiometric measurements along nine traverses within a rectangular network area were taken across a bauxitic karst within the Ubaid Formation (Lower Jurassic in the Western Desert of Iraq. A 4-Channel Gamma Ray Spectrometer (GAD-6 with sodium iodide NaI (Tl crystal (GSP-4S was used in the field to measure the total radioactivity of the surface soil. Soil samples collected from the surface at each measurement point and core samples collected from a test well penetrating the karst were analyzed by Gamma ray spectrometer. The main objective of this study was to detect the hidden bauxitic karst and determine its surface boundary. The radioactivity on the surface of the karst was ranging between 60 and 80 count per second (c/s, while the background radioactivity of the Ubaid Formation, which hosts the karst, was ranging between 100 and150 c/s. Chemical weathering, especially dissolution and leaching moved uranium (238U and thorium(232Th from the overburden downward. Accordingly, these elements have been adsorbed on the surface of clay minerals and bauxite buried at a depth of about 5m causing enrichment with radioactivity. The leached overburden lack radioelements, so its radioactivity was less than background radioactivity level. The gamma ray spectroanalysis showed that the radioactivity of 238U and 232Th in the overburden was 0.5 and 3 Bq/Kg, whereas, in the bauxite and flint clay bed, it was 240 and 160 Bq/Kg respectively. Based on the radioactivity anomaly contrast on the surface, an isorad map was plotted and the karst diameter which represents low anomaly was determined to be ranging from 150 to 200m. The current study demonstrates that the ground radiometric method is quite useful for detecting the bauxitic karst and inferring its surface boundaries.
Modeling of the stress-strain state of the ground mass contaminated with peracetic acid
Directory of Open Access Journals (Sweden)
Levenko Anna
2017-01-01
Full Text Available None of the methods described previously provides a solution to the problem that deals with the SSS evaluation of the ground mass which is under the influence of chemically active substances and, in particular, under the influence of peracetic acid. The stress-strain state of the ground mass contaminated with peracetic acid was estimated. Stresses occurring in the ground mass in the natural state were determined after the entry of acid into it and after the chemical fixation of it with sodium silicate. All the parameters of the stress-strain state of the ground mass were obtained under a number of physical and mechanical conditions. It was determined that following the work on the silicatization of the ground mass contaminated with peracetic acid the quantity of strain decreased by 26.11 to 48.9%. The comparison of the results of stress calculations indicates the stress reduction in the ground mass in 1.8 – 2.6 times after its fixing.
Determination of pesticides in surface and ground water used for human consumption in Guatemala
International Nuclear Information System (INIS)
Knedel, W.; Chiquin, J.C.; Perez, J.; Rosales, S.
1999-01-01
A 15 month sampling and analysis programme was carried out to monitor concentrations of 37 targeted organochlorine, organophosphorus and organopyrethroid pesticides in surface and ground water in Guatemala. The 80 sampling points included 4 points in a lake, one point in each of the four lagoons, 10 municipal water systems of major towns, and 62 points along 52 rivers, most of which are located in the southern coast along borders with Mexico and El Salvador, and are one of the most productive areas in the country. The sampling used provided only preliminary information on the pattern of pesticide contamination of surface and ground water. It showed contamination of surface water in Los Esclavos watershed, Motagua river watershed as well as Villalobos, lake Amatitlan and Michatoya river watershed. Cypermethrin was the ubiquitous pesticides in some areas present in concentrations exceeding toxic levels for fish and other aquatic organisms. Several of the other targeted organophosphorus and ECD detectable pesticides were also detected in surface water. Some municipal water samples also had low levels of pesticides. (author)
Wilkison, D.H.; Blevins, D.W.; Silva, S.R.
2000-01-01
The fate and transport of a single N fertilizer application through plants, soil, runoff, and the unsaturated and saturated zones was determined for four years at a field site under continuous corn (Zea mays L.) management. Claypan soils, which underlie the site, were hypothesized to restrict the movement of agrichemicals from the soil surface to ground water. However, N fertilizer moved rapidly through preferential flow paths in the soil and into the underlying glacial till aquifer. Most N transport occurred during the fall and winter when crops were not available to use excess N. Forty months after application, 33 percent of the fertilizer had been removed by grain harvests, 30 percent had been transpired to the atmosphere, and 33 percent had migrated to ground water. Although runoff volumes were 50 percent greater than infiltration, less than 2 percent of the fertilizer was lost to runoff. Small measured denitrification rates and large measured dissolved oxygen concentrations in ground water favor the long-term stability of NO3-1 in ground water. Successive fertilizer applications, in areas that lack the ability to moderate N concentrations through consumptive N reactions, risk the potential of N-saturated ecosystems.
DRINKING WATER QUALITY IN DISTRIBUTION SYSTEMS OF SURFACE AND GROUND WATERWORKS IN FINLAND
Directory of Open Access Journals (Sweden)
Jenni Meirami Ikonen
2017-06-01
Full Text Available Physico-chemical and microbiological water quality in the drinking water distribution systems (DWDSs of five waterworks in Finland with different raw water sources and treatment processes was explored. Water quality was monitored during four seasons with on-line equipment and bulk water samples were analysed in laboratory. Seasonal changes in the water quality were more evident in DWDSs of surface waterworks compared to the ground waterworks and artificially recharging ground waterworks (AGR. Between seasons, temperature changed significantly in every system but pH and EC changed only in one AGR system. Seasonal change was seen also in the absorbance values of all systems. The concentration of microbially available phosphorus (MAP, μg PO₄-P/l was the highest in drinking water originating from the waterworks supplying groundwater. Total assimilable organic carbon (AOC, μg AOC-C/l concentrations were significantly different between the DWDSs other than between the two AGR systems. This study reports differences in the water quality between surface and ground waterworks using a wide set of parameters commonly used for monitoring. The results confirm that every distribution system is unique, and the water quality is affected by environmental factors, raw water source, treatment methods and disinfection.
Process induced sub-surface damage in mechanically ground silicon wafers
International Nuclear Information System (INIS)
Yang Yu; De Munck, Koen; Teixeira, Ricardo Cotrin; Swinnen, Bart; De Wolf, Ingrid; Verlinden, Bert
2008-01-01
Micro-Raman spectroscopy, scanning electron microcopy, atomic force microscopy and preferential etching were used to characterize the sub-surface damage induced by the rough and fine grinding steps used to make ultra-thin silicon wafers. The roughly and ultra-finely ground silicon wafers were examined on both the machined (1 0 0) planes and the cross-sectional (1 1 0) planes. They reveal similar multi-layer damage structures, consisting of amorphous, plastically deformed and elastically stressed layers. However, the thickness of each layer in the roughly ground sample is much higher than its counterpart layers in the ultra-finely ground sample. The residual stress after rough and ultra-fine grinding is in the range of several hundreds MPa and 30 MPa, respectively. In each case, the top amorphous layer is believed to be the result of sequential phase transformations (Si-I to Si-II to amorphous Si). These phase transformations correspond to a ductile grinding mechanism, which is dominating in ultra-fine grinding. On the other hand, in rough grinding, a mixed mechanism of ductile and brittle grinding causes multi-layer damage and sub-surface cracks
Structural Distortion Stabilizing the Antiferromagnetic and Semiconducting Ground State of BaMn2As2
Directory of Open Access Journals (Sweden)
Ekkehard Krüger
2016-09-01
Full Text Available We report evidence that the experimentally found antiferromagnetic structure as well as the semiconducting ground state of BaMn 2 As 2 are caused by optimally-localized Wannier states of special symmetry existing at the Fermi level of BaMn 2 As 2 . In addition, we find that a (small tetragonal distortion of the crystal is required to stabilize the antiferromagnetic semiconducting state. To our knowledge, this distortion has not yet been established experimentally.
Van der Waals potential and vibrational energy levels of the ground state radon dimer
Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei
2017-08-01
In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10/C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.
Antibonding hole ground state in InAs quantum dot molecules
Energy Technology Data Exchange (ETDEWEB)
Planelles, Josep [Departament de Química Física i Analítica, Universitat Jaume I, E-12080, Castelló (Spain)
2015-01-22
Using four-band k⋅p Hamiltonians, we study how strain and position-dependent effective masses influence hole tunneling in vertically coupled InAs/GaAs quantum dots. Strain reduces the tunneling and hence the critical interdot distance required for the ground state to change from bonding to antibonding. Variable mass has the opposite effect and a rough compensation leaves little affected the critical bonding-to-antibonding ground state crossover. An alternative implementation of the magnetic field in the envelope function Hamiltonian is given which retrieves the experimental denial of possible after growth reversible magnetically induced bonding-to-antibonding ground state transition, predicted by the widely used Luttinger-Kohn Hamiltonian.
Exact ground-state correlation functions of an atomic-molecular Bose–Einstein condensate model
Links, Jon; Shen, Yibing
2018-05-01
We study the ground-state properties of an atomic-molecular Bose–Einstein condensate model through an exact Bethe Ansatz solution. For a certain range of parameter choices, we prove that the ground-state Bethe roots lie on the positive real-axis. We then use a continuum limit approach to obtain a singular integral equation characterising the distribution of these Bethe roots. Solving this equation leads to an analytic expression for the ground-state energy. The form of the expression is consistent with the existence of a line of quantum phase transitions, which has been identified in earlier studies. This line demarcates a molecular phase from a mixed phase. Certain correlation functions, which characterise these phases, are then obtained through the Hellmann–Feynman theorem.
International Nuclear Information System (INIS)
Balakrishna, Jayashree; Bondarescu, Ruxandra; Daues, Gregory; Bondarescu, Mihai
2008-01-01
Excited state soliton stars are studied numerically for the first time. The stability of spherically symmetric S-branch excited state oscillatons under radial perturbations is investigated using a 1D code. We find that these stars are inherently unstable either migrating to the ground state or collapsing to black holes. Higher excited state configurations are observed to cascade through intermediate excited states during their migration to the ground state. This is similar to excited state boson stars [J. Balakrishna, E. Seidel, and W.-M. Suen, Phys. Rev. D 58, 104004 (1998).]. Ground state oscillatons are then studied in full 3D numerical relativity. Finding the appropriate gauge condition for the dynamic oscillatons is much more challenging than in the case of boson stars. Different slicing conditions are explored, and a customized gauge condition that approximates polar slicing in spherical symmetry is implemented. Comparisons with 1D results and convergence tests are performed. The behavior of these stars under small axisymmetric perturbations is studied and gravitational waveforms are extracted. We find that the gravitational waves damp out on a short time scale, enabling us to obtain the complete waveform. This work is a starting point for the evolution of real scalar field systems with arbitrary symmetries
Topological surface states on Bi$_{1-x}$Sb$_x$
DEFF Research Database (Denmark)
Zhu, Xie-Gang; Hofmann, Philip
2014-01-01
Topological insulators support metallic surface states whose existence is protected by the bulk band structure. It has been predicted early that the topology of the surface state Fermi contour should depend on several factors, such as the surface orientation and termination and this raises the qu...
Pressure controlled transition into a self-induced topological superconducting surface state
Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo
2014-01-01
Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.
Pressure controlled transition into a self-induced topological superconducting surface state
Zhu, Zhiyong
2014-02-07
Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.
Stability of the electroweak ground state in the Standard Model and its extensions
International Nuclear Information System (INIS)
Di Luzio, Luca; Isidori, Gino; Ridolfi, Giovanni
2016-01-01
We review the formalism by which the tunnelling probability of an unstable ground state can be computed in quantum field theory, with special reference to the Standard Model of electroweak interactions. We describe in some detail the approximations implicitly adopted in such calculation. Particular attention is devoted to the role of scale invariance, and to the different implications of scale-invariance violations due to quantum effects and possible new degrees of freedom. We show that new interactions characterized by a new energy scale, close to the Planck mass, do not invalidate the main conclusions about the stability of the Standard Model ground state derived in absence of such terms.
Stability of the electroweak ground state in the Standard Model and its extensions
Energy Technology Data Exchange (ETDEWEB)
Di Luzio, Luca, E-mail: diluzio@ge.infn.it [Dipartimento di Fisica, Università di Genova and INFN, Sezione di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Isidori, Gino [Department of Physics, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich (Switzerland); Ridolfi, Giovanni [Dipartimento di Fisica, Università di Genova and INFN, Sezione di Genova, Via Dodecaneso 33, I-16146 Genova (Italy)
2016-02-10
We review the formalism by which the tunnelling probability of an unstable ground state can be computed in quantum field theory, with special reference to the Standard Model of electroweak interactions. We describe in some detail the approximations implicitly adopted in such calculation. Particular attention is devoted to the role of scale invariance, and to the different implications of scale-invariance violations due to quantum effects and possible new degrees of freedom. We show that new interactions characterized by a new energy scale, close to the Planck mass, do not invalidate the main conclusions about the stability of the Standard Model ground state derived in absence of such terms.
Stability of the electroweak ground state in the Standard Model and its extensions
Directory of Open Access Journals (Sweden)
Luca Di Luzio
2016-02-01
Full Text Available We review the formalism by which the tunnelling probability of an unstable ground state can be computed in quantum field theory, with special reference to the Standard Model of electroweak interactions. We describe in some detail the approximations implicitly adopted in such calculation. Particular attention is devoted to the role of scale invariance, and to the different implications of scale-invariance violations due to quantum effects and possible new degrees of freedom. We show that new interactions characterized by a new energy scale, close to the Planck mass, do not invalidate the main conclusions about the stability of the Standard Model ground state derived in absence of such terms.
Ground State of Bosons in Bose-Fermi Mixture with Spin-Orbit Coupling
Sakamoto, Ryohei; Ono, Yosuke; Hatsuda, Rei; Shiina, Kenta; Arahata, Emiko; Mori, Hiroyuki
2017-07-01
We study an effect of spin-1/2 fermions on the ground state of a Bose system with equal Rashba and Dresselhaus spin-orbit coupling. By using mean-field and tight-binding approximations, we show the ground state phase diagram of the Bose system in the spin-orbit coupled Bose-Fermi mixture and find that the characteristic phase domain, where a spin current of fermions may be induced, can exist even in the presence of a significantly large number of fermions.
Numerical study of the t-J model: Exact ground state and flux phases
International Nuclear Information System (INIS)
Hasegawa, Y.; Poilblanc, D.
1990-01-01
Strongly correlated 2D electrons described by the t-J model are investigated numerically. Exact ground state for one and two holes in a finite cluster with periodic boundary conditions are obtained by using the Lanczos algorithm. The effects of Coulomb repulsion of the holes on the nearest neighbor sites are taken into account. Commensurate flux phases are investigated for the same size of clusters. They are shown to be a good approximation for the ground state specially in the intermediate value of J/t. (author). 21 refs, 3 figs
Fission barriers and asymmetric ground states in the relativistic mean-field theory
International Nuclear Information System (INIS)
Rutz, K.; Reinhard, P.G.; Greiner, W.
1995-01-01
The symmetric and asymmetric fission path for 240 Pu, 232 Th and 226 Ra is investigated within the relativistic mean-field model. Standard parametrizations which are well fitted to nuclear ground-state properties are found to deliver reasonable qualitative and quantitative features of fission, comparable to similar nonrelativistic calculations. Furthermore, stable octupole deformations in the ground states of radium isotopes are investigated. They are found in a series of isotopes, qualitatively in agreement with nonrelativistic models. But the quantitative details differ amongst the models and between the various relativistic parametrizations. (orig.)
Numerical study of ground state and low lying excitations of quantum antiferromagnets
International Nuclear Information System (INIS)
Trivedi, N.; Ceperley, D.M.
1989-01-01
The authors have studied, via Green function Monte Carlo (GFMC), the S = 1/2 Heisenberg quantum antiferromagnet in two dimensions on a square lattice. They obtain the ground state energy with only statistical errors E 0 /J = -0.6692(2), the staggered magnetization m † = 0.31(2), and from the long wave length behavior of the structure factor, the spin wave velocity c/c o = 1.14(5). They show that the ground state wave function has long range pair correlations arising from the zero point motion of spin waves
The ground-state phase diagrams of the spin-3/2 Ising model
International Nuclear Information System (INIS)
Canko, Osman; Keskin, Mustafa
2003-01-01
The ground-state spin configurations are obtained for the spin-3/2 Ising model Hamiltonian with bilinear and biquadratic exchange interactions and a single-ion crystal field. The interactions are assumed to be only between nearest-neighbors. The calculated ground-state phase diagrams are presented on diatomic lattices, such as the square, honeycomb and sc lattices, and triangular lattice in the (Δ/z vertical bar J vertical bar ,K/ vertical bar J vertical bar) and (H/z vertical bar J vertical bar, K/ vertical bar J vertical bar) planes
Singlet Ground State Magnetism: III Magnetic Excitons in Antiferromagnetic TbP
DEFF Research Database (Denmark)
Knorr, K.; Loidl, A.; Kjems, Jørgen
1981-01-01
The dispersion of the lowest magnetic excitations of the singlet ground state system TbP has been studied in the antiferromagnetic phase by inelastic neutron scattering. The magnetic exchange interaction and the magnetic and the rhombohedral molecular fields have been determined.......The dispersion of the lowest magnetic excitations of the singlet ground state system TbP has been studied in the antiferromagnetic phase by inelastic neutron scattering. The magnetic exchange interaction and the magnetic and the rhombohedral molecular fields have been determined....
Ground-state properties of third-row elements with nonlocal density functionals
International Nuclear Information System (INIS)
Bagno, P.; Jepsen, O.; Gunnarsson, O.
1989-01-01
The cohesive energy, the lattice parameter, and the bulk modulus of third-row elements are calculated using the Langreth-Mehl-Hu (LMH), the Perdew-Wang (PW), and the gradient expansion functionals. The PW functional is found to give somewhat better results than the LMH functional and both are found to typically remove half the errors in the local-spin-density (LSD) approximation, while the gradient expansion gives worse results than the local-density approximation. For Fe both the LMH and PW functionals correctly predict a ferromagnetic bcc ground state, while the LSD approximation and the gradient expansion predict a nonmagnetic fcc ground state
Traces of Lorentz symmetry breaking in a hydrogen atom at ground state
Borges, L. H. C.; Barone, F. A.
2016-02-01
Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schrödinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector.
Traces of Lorentz symmetry breaking in a hydrogen atom at ground state
Energy Technology Data Exchange (ETDEWEB)
Borges, L.H.C. [Universidade Federal do ABC, Centro de Ciencias Naturais e Humanas, Santo Andre, SP (Brazil); Barone, F.A. [IFQ-Universidade Federal de Itajuba, Itajuba, MG (Brazil)
2016-02-15
Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schroedinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector. (orig.)
Traces of Lorentz symmetry breaking in a hydrogen atom at ground state
International Nuclear Information System (INIS)
Borges, L.H.C.; Barone, F.A.
2016-01-01
Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schroedinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector. (orig.)
On the ground state of the two-dimensional non-ideal Bose gas
International Nuclear Information System (INIS)
Lozovik, Yu.E.; Yudson, V.I.
1978-01-01
The theory of the ground state of the two-dimensional non-ideal Bose gas is presented. The conditions for the validity of the ladder and the Bogolubov approximations are derived. These conditions ensure the existence of a Bose condensate in the ground state of two-dimensional systems. These conditions are different from the corresponding conditions for the three-dimensional case. The connection between the effective interaction and the two-dimensional scattering amplitude at some characteristic energy kappa 2 /2m (not equal to 0) is obtained (f(kappa = 0) = infinity in the two-dimensional case). (Auth.)
Ground-state configuration of neutron-rich Aluminum isotopes through Coulomb Breakup
Directory of Open Access Journals (Sweden)
Chakraborty S.
2014-03-01
Full Text Available Neutron-rich 34,35Al isotopes have been studied through Coulomb excitation using LAND-FRS setup at GSI, Darmstadt. The method of invariant mass analysis has been used to reconstruct the excitation energy of the nucleus prior to decay. Comparison of experimental CD cross-section with direct breakup model calculation with neutron in p3/2 orbital favours 34Al(g.s⊗νp3/2 as ground state configuration of 35Al. But ground state configuration of 34Al is complicated as evident from γ-ray spectra of 33Al after Coulomb breakup of 34Al.
Trapping cold ground state argon atoms for sympathetic cooling of molecules
Edmunds, P. D.; Barker, P. F.
2014-01-01
We trap cold, ground-state, argon atoms in a deep optical dipole trap produced by a build-up cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of laser-cooled metastable argon atoms. Although the ground state atoms cannot be directly probed, we detect them by observing the collisional loss of co-trapped metastable argon atoms using a new type of parametric loss spectroscopy. Using this technique we als...
International Nuclear Information System (INIS)
Chakraborty, S.; Datta Pramanik, U.; Chatterjee, S.
2013-01-01
The region of the nuclear chart around neutron magic number, N∼20 and proton number (Z), 10≤ Z≤12 is known as the Island of Inversion. The valance neutron(s) of these nuclei, even in their ground state, are most likely occupying the upper pf orbitals which are normally lying above sd orbitals, N∼20 shell closure. Nuclei like 34,35 Al are lying at the boundary of this Island of Inversion. Little experimental information about their ground state configuration are available in literature
Unambiguous assignment of the ground state of a nearly degenerate cluster
International Nuclear Information System (INIS)
Gutsev, G. L.; Khanna, S. N.; Jena, P.
2000-01-01
A synergistic approach that combines first-principles theory and electron photodetachment experiment is shown to be able to uniquely identify the ground state of a nearly degenerate cluster in the gas phase. Additionally, this approach can complement the Stern-Gerlach technique in determining the magnetic moment of small clusters unambiguously. The method, applied to a Fe 3 cluster, reveals its ground state to have a magnetic moment of 10μ B --in contrast with earlier predictions. (c) 2000 The American Physical Society
From ground state to fission fragments: A complex, multi-dimensional multi-path problem
International Nuclear Information System (INIS)
Moeller, P.; Nix, J.R.; Swiatecki, W.J.
1992-01-01
Experimental results on the fission properties of nuclei close to 264 Fm show sudden and large changes with a change of only one or two neutrons or protons. The nucleus 258 Fm, for instance, undergoes symmetric fission with a half-life of about 0.4 ms and a kinetic-energy distribution peaked at about 235 MeV whereas 256 Fm undergoes asymmetric fission with a half-life of about 3 h and a kinetic-energy distribution peaked at about 200 MeV. Qualitatively, these sudden changes have been postulated to be due to the emergence of fragment shells in symmetric-fission products close to 132 Sn. Here we present a quantitative calculation that shows where high-kinetic-energy symmetric fusion occurs and why it is associated with a sudden and large decrease in fission half-lives. We base our study on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. We use the three-quadratic-surface parameterization to generate the shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. Since these shapes are thought to correspond to the scission shapes for the high-kinetic-energy events it is of crucial importance that a continuous sequence of shapes leading from the nuclear ground state to these configurations can be studied within the framework of the model. We present the results of the calculations in terms of potential-energy surfaces and fission half-lives for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. They clearly show the appearance of a second fission valley, which leads to scission configurations close to tow touching spheres, for fissioning systems in the vicinity of 264 Fm
International Nuclear Information System (INIS)
Imes, J.L.; Kleeschulte, M.J.
1997-01-01
Ground-water-level measurements to support remedial actions were made in 37 piezometers and 19 monitoring wells during a 19-month period to assess the potential for ground-water flow from an abandoned quarry to the nearby St. Charles County well field, which withdraws water from the base of the alluvial aquifer. From 1957 to 1966, low-level radioactive waste products from the Weldon Spring chemical plant were placed in the quarry a few hundred feet north of the Missouri River alluvial plain. Uranium-based contaminants subsequently were detected in alluvial ground water south of the quarry. During all but flood conditions, lateral ground-water flow in the bedrock from the quarry, as interpreted from water-table maps, generally is southwest toward Little Femme Osage Creek or south into the alluvial aquifer. After entering the alluvial aquifer, the ground water flows southeast to east toward a ground-water depression presumably produced by pumping at the St. Charles County well field. The depression position varies depending on the Missouri River stage and probably the number and location of active wells in the St. Charles County well field
Krim, Lahouari; Nourry, Sendres
2015-06-01
In the last few years, ambitious programs were launched to probe the interstellar medium always more accurately. One of the major challenges of these missions remains the detection of prebiotic compounds and the understanding of reaction pathways leading to their formation. These complex heterogeneous reactions mainly occur on icy dust grains, and their studies require the coupling of laboratory experiments mimicking the extreme conditions of extreme cold and dilute media. For that purpose, we have developed an original experimental approach that combine the study of heterogeneous reactions (by exposing neutral molecules adsorbed on ice to non-energetic radicals H, OH, N...) and a neon matrix isolation study at very low temperatures, which is of paramount importance to isolate and characterize highly reactive reaction intermediates. Such experimental approach has already provided answers to many questions raised about some astrochemically-relevant reactions occurring in the ground state on the surface of dust grain ices in dense molecular clouds. The aim of this new present work is to show the implication of ground state atomic nitrogen on hydrogen atom abstraction reactions from some astrochemically-relevant species, at very low temperatures (3K-20K), without providing any external energy. Under cryogenic temperatures and with high barrier heights, such reactions involving N(4S) nitrogen atoms should not occur spontaneously and require an initiating energy. However, the detection of some radicals species as byproducts, in our solid samples left in the dark for hours at 10K, proves that hydrogen abstraction reactions involving ground state N(4S) nitrogen atoms may occur in solid phase at cryogenic temperatures. Our results show the efficiency of radical species formation stemming from non-energetic N-atoms and astrochemically-relevant molecules. We will then discuss how such reactions, involving nitrogen atoms in their ground states, might be the first key step
Use of ground-water reservoirs for storage of surface water in the San Joaquin Valley, California
Davis, G.H.; Lofgren, B.E.; Mack, Seymour
1964-01-01
The San Joaquin Valley includes roughly the southern two-thirds of the Central Valley of California, extending 250 miles from Stockton on the north to Grapevine at the foot of the Tehachapi Mountains. The valley floor ranges in width from 25 miles near Bakersfield to about 55 miles near Visalia; it has a surface area of about 10,000 square miles. More than one-quarter of all the ground water pumped for irrigation in the United States is used in this highly productive valley. Withdrawal of ground water from storage by heavy pumping not only provides a needed irrigation water supply, but it also lowers the ground-water level and makes storage space available in which to conserve excess water during periods of heavy runoff. A storage capacity estimated to be 93 million acre-feet to a depth of 200 feet is available in this ground-water reservoir. This is about nine times the combined capacity of the existing and proposed surface-water reservoirs in the San Joaquin Valley under the California Water Plan. The landforms of the San Joaquin Valley include dissected uplands, low plains and fans, river flood plains and channels, and overflow lands and lake bottoms. Below the land surface, unconsolidated sediments derived from the surrounding mountain highlands extend downward for hundreds of feet. These unconsolidated deposits, consisting chiefly of alluvial deposits, but including some widespread lacustrine sediments, are the principal source of ground water in the valley. Ground water occurs under confined and unconfined conditions in the San Joaquin Valley. In much of the western, central, and southeastern parts of the valley, three distinct ground-water reservoirs are present. In downward succession these are 1) a body of unconfined and semiconfined fresh water in alluvial deposits of Recent, Pleistocene, and possibly later Pliocene age, overlying the Corcoran clay member of the Tulare formation; 2) a body of fresh water confined beneath the Corcoran clay member, which
Susceptibility of ground water to surface and shallow sources of contamination in Mississippi
O'Hara, Charles G.
1996-01-01
Ground water, because of its extensive use in agriculture, industry, and public-water supply, is one of Mississippi's most important natural resources. Ground water is the source for about 80 percent of the total freshwater used by the State's population (Solley and others, 1993). About 2,600 Mgal/d of freshwater is withdrawn from aquifers in Mississippi (D.E. Burt, Jr., U.S. Geological Survey, oral commun., 1995). Wells capable of yielding 200 gal/min of water with quality suitable for most uses can be developed nearly anywhere in the State (Bednar, 1988). The U.S. Geological Survey (USGS), in cooperation with the Mississippi Department of Environmental Quality, Office of Pollution Control, and the Mississippi Department of Agriculture and Commerce, Bureau of Plant Industry, conducted an investigation to evaluate the susceptibility of ground water to contamination from surgace and shallow sources in Mississippi. A geographic information system (GIS) was used to develop and analyze statewide spatial data layers that contain geologic, hydrologic, physiographic, and cultural information.
Hydrogen-like spectrum of spontaneously created brane universes with de-Sitter ground state
Davidson, Aharon
2018-05-01
Unification of Randall-Sundrum and Regge-Teitelboim brane cosmologies gives birth to a serendipitous Higgs-deSitter interplay. A localized Dvali-Gabadadze-Porrati scalar field, governed by a particular (analytically derived) double-well quartic potential, becomes a mandatory ingredient for supporting a deSitter brane universe. When upgraded to a general Higgs potential, the brane surface tension gets quantized, resembling a Hydrogen atom spectrum, with deSitter universe serving as the ground state. This reflects the local/global structure of the Euclidean manifold: From finite energy density no-boundary initial conditions, via a novel acceleration divide filter, to exact matching conditions at the exclusive nucleation point. Imaginary time periodicity comes as a bonus, with the associated Hawking temperature vanishing at the continuum limit. Upon spontaneous creation, while a finite number of levels describe universes dominated by a residual dark energy combined with damped matter oscillations, an infinite tower of excited levels undergo a Big Crunch.
Nuclear Ground State Properties in Strontium by Fast Beam Laser Spectroscopy
2002-01-01
Hyperfine structures and isotope shifts of strontium isotopes with A=78 to A=100 were measured by collinear fast beam laser spectroscopy. Nuclear spins, moments and changes in mean square charge radii are extracted from the data. The spins and moments of most of the odd isotopes are explained in the framework of the single particle model. The changes in mean square charge radii show a decrease with increasing neutron number below the N=50 shell closure. Above N=50 the charge radii increase regularly up to N=59 before revealing a strong discontinuity, indicating the onset of strong ground state deformation. A comparison of the droplet model shows that for the transitional isotopes below and above N=50, the zero point quadrupole motion describes part of the observed shell effect. Calculations carried out in the Hartree-Fock plus BCS model suggest an additional change in the surface region of the charge distribution at spherical shape. From these calculations it is furthermore proposed, that the isotopes $^7
A Rigorous Investigation on the Ground State of the Penson-Kolb Model
Yang, Kai-Hua; Tian, Guang-Shan; Han, Ru-Qi
2003-05-01
By using either numerical calculations or analytical methods, such as the bosonization technique, the ground state of the Penson-Kolb model has been previously studied by several groups. Some physicists argued that, as far as the existence of superconductivity in this model is concerned, it is canonically equivalent to the negative-U Hubbard model. However, others did not agree. In the present paper, we shall investigate this model by an independent and rigorous approach. We show that the ground state of the Penson-Kolb model is nondegenerate and has a nonvanishing overlap with the ground state of the negative-U Hubbard model. Furthermore, we also show that the ground states of both the models have the same good quantum numbers and may have superconducting long-range order at the same momentum q = 0. Our results support the equivalence between these models. The project partially supported by the Special Funds for Major State Basic Research Projects (G20000365) and National Natural Science Foundation of China under Grant No. 10174002
A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates
Energy Technology Data Exchange (ETDEWEB)
Wang, Hanquan, E-mail: hanquan.wang@gmail.com [School of Statistics and Mathematics, Yunnan University of Finance and Economics, Kunming, Yunnan Province, 650221 (China); Yunnan Tongchang Scientific Computing and Data Mining Research Center, Kunming, Yunnan Province, 650221 (China)
2014-10-01
In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can be computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method.
Reactive ground-state pathways are not ubiquitous in red/green cyanobacteriochromes.
Chang, Che-Wei; Gottlieb, Sean M; Kim, Peter W; Rockwell, Nathan C; Lagarias, J Clark; Larsen, Delmar S
2013-09-26
Recent characterization of the red/green cyanobacteriochrome (CBCR) NpR6012g4 revealed a high quantum yield for its forward photoreaction [J. Am. Chem. Soc. 2012, 134, 130-133] that was ascribed to the activity of hidden, productive ground-state intermediates. The dynamics of the pathways involving these ground-state intermediates was resolved with femtosecond dispersed pump-dump-probe spectroscopy, the first such study reported for any CBCR. To address the ubiquity of such second-chance initiation dynamics (SCID) in CBCRs, we examined the closely related red/green CBCR NpF2164g6 from Nostoc punctiforme. Both NpF2164g6 and NpR6012g4 use phycocyanobilin as the chromophore precursor and exhibit similar excited-state dynamics. However, NpF2164g6 exhibits a lower quantum yield of 32% for the generation of the isomerized Lumi-R primary photoproduct, compared to 40% for NpR6012g4. This difference arises from significantly different ground-state dynamics between the two proteins, with the SCID mechanism deactivated in NpF2164g6. We present an integrated inhomogeneous target model that self-consistently fits the pump-probe and pump-dump-probe signals for both forward and reverse photoreactions in both proteins. This work demonstrates that reactive ground-state intermediates are not ubiquitous phenomena in CBCRs.
A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates
International Nuclear Information System (INIS)
Wang, Hanquan
2014-01-01
In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can be computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method
International Nuclear Information System (INIS)
1995-11-01
This document contains the Technical Assistance Contractor (TAC) Quality Assurance Implementation Plan (QAIP) for the Uranium Mill Tailings Remedial Action (UMTRA) Project. The QAIP outlines the primary requirements for integrating quality functions for TAC technical activities applied to the surface and ground water phases of the UMTRA Project. The QA program is designed to use monitoring, audit, and surveillance activities as management tools to ensure that UMTRA Project activities are carried out in amanner to protect public health and safety, promote the success of the UMTRA Project, and meet or exceed contract requirements
Aloupi, Maria; Angelidis, Michael O; Gavriil, Apostolos M; Koulousaris, Michael; Varnavas, Soterios P
2009-04-01
The occurrence of As was studied in groundwater used for human consumption and irrigation, in stream water and sediments and in water from thermal springs in the drainage basin of Kalloni Gulf, island of Lesvos, Greece, in order to investigate the potential influence of the geothermal field of Polichnitos-Lisvori on the ground and surface water systems of the area. Total dissolved As varied in the range geology exerts a determinant influence on As geochemical behaviour. On the other hand, the geothermal activity manifested in the area of Polichnitos-Lisvori does not affect the presence of As in groundwater and streams.
Surface and ground waters evaluation at Brazilian Multiproposed Reactor installation area
International Nuclear Information System (INIS)
Stellato, Thamiris B.; Silva, Tatiane B.S.C.da; Soares, Sabrina M.V.; Faustino, Mainara G.; Marques, Joyce R.; Oliveira, Cintia C. de; Monteiro, Lucilena R.; Pires, Maria A.F.; Cotrim, Marycel E.B.
2017-01-01
This study evaluates six surface and ground waters physicochemical characteristics on the area of the future Brazilian Multipurpose Reactor (RMB), at Iperó/SP. One of the main goals is to establish reference values for future operation monitoring programs, as well as for environmental permits and regulation. Considering analyzed parameters, all collection points presented values within CONAMA Resolution 396/08 and 357/05 regulation limits, showing similar characteristics among collection points.Only two points groundwater (RMB-005 and RMB-006) presented higher alkalinity, total dissolved solids and conductivity. The studied area was considered in good environmental conservation condition, as far as water quality is concerned. (author)
3. SEGMITE International Symposium on Sustainable Development of Surface and Ground Water Resources
International Nuclear Information System (INIS)
Tabrez, A.R.
1999-01-01
The Society of Economic Geologist and Mineral Technologist (SEGMITE), National Institute of Oceanography (NIO) and Association of Geo-scientists for International Development with the collaboration of Export Promotion Bureau, Government of Pakistan has organised this symposium. The third Segmite International Symposium on Sustainable Development of surface and ground water resources was held on 8-10 march 1999 at Karachi, Pakistan. This book gives the conference information, brochure and abstracts of papers presented in the conference. There are about 38 abstracts submitted for the conference and related nature of the materials. Out of these 38 papers 16 are of nuclear oriented which are presented here separately. (A.B.)
Energies of the ground state and first excited 0 sup + state in an exactly solvable pairing model
Dinh Dang, N
2003-01-01
Several approximations are tested by calculating the ground-state energy and the energy of the first excited 0 sup + state using an exactly solvable model with two symmetric levels interacting via a pairing force. They are the BCS approximation (BCS), Lipkin-Nogami (LN) method, random-phase approximation (RPA), quasiparticle RPA (QRPA), the renormalized RPA (RRPA), and renormalized QRPA (RQRPA). It is shown that, in the strong-coupling regime, the QRPA which neglects the scattering term of the model Hamiltonian offers the best fit to the exact solutions. A recipe is proposed using the RRPA and RQRPA in combination with the pairing gap given by the LN method. Applying this recipe, it is shown that the superfluid-normal phase transition is avoided, and a reasonably good description for both of the ground-state energy and the energy of the first excited 0 sup + state is achieved. (orig.)
Surface states in thin versus thick organic quantum wells
International Nuclear Information System (INIS)
Nguyen Ba An; Hanamura, E.
1995-08-01
Surface states are studied in dependence on thickness or organic quantum wells within the nearest layer approximation. It is shown that there is a material-dependent critical thickness. Structures, that have thickness thinner or thicker than the critical one, exhibit qualitatively different characteristics of surface states. Criteria for existence and sign rules for location of energy levels of surface states are established which are general and contain the results of the previous works as particular cases. (author). 18 refs, 3 figs
Rochín-Medina, Jesús J; Ramírez, Karina; Rangel-Peraza, Jesús G; Bustos-Terrones, Yaneth A
2018-03-01
Spent coffee grounds are waste material generated during coffee beverage preparation. This by-product disposal causes a negative environmental impact, in addition to the loss of a rich source of nutrients and bioactive compounds. A rotating central composition design was used to determine the optimal conditions for the bioactivity of phenolic compounds obtained after the solid state fermentation of spent coffee grounds by Bacillus clausii . To achieve this, temperature and fermentation time were varied according to the experimental design and the total phenolic and flavonoid content, antioxidant activity and antimicrobial activity were determined. Surface response methodology showed that optimum bioprocessing conditions were a temperature of 37 °C and a fermentation time of 39 h. Under these conditions, total phenolic and flavonoid contents increased by 36 and 13%, respectively, in fermented extracts as compared to non-fermented. In addition, the antioxidant activity was increased by 15% and higher antimicrobial activity was observed against Gram positive and negative bacteria. These data demonstrated that bioprocessing optimization of spent coffee grounds using the surface response methodology was an important tool to improve phenolic extraction, which could be used as an antioxidant and antimicrobial agents incorporated into different types of food products.
Rayleigh approximation to ground state of the Bose and Coulomb glasses
Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.
2015-01-01
Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Our findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties. PMID:25592417
Surface geophysical methods for characterising frozen ground in transitional permafrost landscapes
Briggs, Martin A.; Campbell, Seth; Nolan, Jay; Walvoord, Michelle Ann; Ntarlagiannis, Dimitrios; Day-Lewis, Frederick D.; Lane, John W.
2017-01-01
The distribution of shallow frozen ground is paramount to research in cold regions, and is subject to temporal and spatial changes influenced by climate, landscape disturbance and ecosystem succession. Remote sensing from airborne and satellite platforms is increasing our understanding of landscape-scale permafrost distribution, but typically lacks the resolution to characterise finer-scale processes and phenomena, which are better captured by integrated surface geophysical methods. Here, we demonstrate the use of electrical resistivity imaging (ERI), electromagnetic induction (EMI), ground penetrating radar (GPR) and infrared imaging over multiple summer field seasons around the highly dynamic Twelvemile Lake, Yukon Flats, central Alaska, USA. Twelvemile Lake has generally receded in the past 30 yr, allowing permafrost aggradation in the receded margins, resulting in a mosaic of transient frozen ground adjacent to thick, older permafrost outside the original lakebed. ERI and EMI best evaluated the thickness of shallow, thin permafrost aggradation, which was not clear from frost probing or GPR surveys. GPR most precisely estimated the depth of the active layer, which forward electrical resistivity modelling indicated to be a difficult target for electrical methods, but could be more tractable in time-lapse mode. Infrared imaging of freshly dug soil pit walls captured active-layer thermal gradients at unprecedented resolution, which may be useful in calibrating emerging numerical models. GPR and EMI were able to cover landscape scales (several kilometres) efficiently, and new analysis software showcased here yields calibrated EMI data that reveal the complicated distribution of shallow permafrost in a transitional landscape.
Energy Technology Data Exchange (ETDEWEB)
Schultz-Fellenz, Emily S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2015-09-09
A portion of LANL’s FY15 SPE objectives includes initial ground-based or ground-proximal investigations at the SPE Phase 2 site. The area of interest is the U2ez location in Yucca Flat. This collection serves as a baseline for discrimination of surface features and acquisition of topographic signatures prior to any development or pre-shot activities associated with SPE Phase 2. Our team originally intended to perform our field investigations using previously vetted ground-based (GB) LIDAR methodologies. However, the extended proposed time frame of the GB LIDAR data collection, and associated data processing time and delivery date, were unacceptable. After technical consultation and careful literature research, LANL identified an alternative methodology to achieve our technical objectives and fully support critical model parameterization. Very-low-altitude unmanned aerial systems (UAS) photogrammetry appeared to satisfy our objectives in lieu of GB LIDAR. The SPE Phase 2 baseline collection was used as a test of this UAS photogrammetric methodology.
Tadayon, Saeid
1995-01-01
level for drinking water of 50 micrograms per liter. None of the constituents in surface-water and ground-water samples exceeded the U.S. Environmental Protection Agency primary maximum contaminant levels for drinking water or State of Arizona aquifer water-quality standards. Concentrations of major ions, nutrients, and trace elements in water from the monitoring wells did not vary significantly throughout the year and were not significantly different from concentrations in samples collected in March 1989 and January and September 1993. Priority pollutants were not found in surface-water samples or ground-water samples, and organochlorine pesticides were not found in ground-water samples. Dieldrin and biphenyl polychlor were the only pesticides found in surface water and were at the minimum reporting levels in one sample from Alamo Wash.
Cravotta,, Charles A.
1991-01-01
Concentrations of dissolved sulfate and acidity in ground water increase downflow in mine spoil and underlying bedrock at a reclaimed surface coal mine in the bituminous field of western Pennsylvania. Elevated dissolved sulfate and negligible oxygen in ground water from bedrock about 100 feet below the water table suggest that pyritic sulfur is oxidized below the water table, in a system closed to oxygen. Geochemical models for the oxidation of pyrite (FeS2) and production of sulfate (SO42-) and acid (H+) are presented to explain the potential role of oxygen (O2) and ferric iron (Fe3+) as oxidants. Oxidation of pyrite by O2 and Fe3+ can occur under oxic conditions above the water table, whereas oxidation by Fe3+ also can occur under anoxic conditions below the water table. The hydrated ferric-sulfate minerals roemerite [Fe2+Fe43+(SO4)4·14H2O], copiapite [Fe2+Fe43+(SO4)6(OH)2·20H20], and coquimbite [Fe2(SO4)3·9H2O] were identified with FeS2 in coal samples, and form on the oxidizing surface of pyrite in an oxic system above the water table. These soluble ferric-sulfate 11 salts11 can dissolve with recharge waters or a rising water table releasing Fe3+, SO42-. and H+, which can be transported along closed-system ground-water flow paths to pyrite reaction sites where O2 may be absent. The Fe3+ transported to these sites can oxidize pyritic sulfur. The computer programs WATEQ4F and NEWBAL were used to compute chemical speciation and mass transfer, respectively, considering mineral dissolution and precipitation reactions plus mixing of waters from different upflow zones. Alternative mass-balance models indicate that (a) extremely large quantities of O2, over 100 times its aqueous solubility, can generate the observed concentrations of dissolved SO42- from FeS2, or (b) under anoxic conditions, Fe3+ from dissolved ferric-sulfate minerals can oxidize FeS2 along closed-system ground-water flow paths. In a system open to O2, such as in the unsaturated zone, the aqueous
Minimal model for spoof acoustoelastic surface states
Directory of Open Access Journals (Sweden)
J. Christensen
2014-12-01
Full Text Available Similar to textured perfect electric conductors for electromagnetic waves sustaining artificial or spoof surface plasmons we present an equivalent phenomena for the case of sound. Aided by a minimal model that is able to capture the complex wave interaction of elastic cavity modes and airborne sound radiation in perfect rigid panels, we construct designer acoustoelastic surface waves that are entirely controlled by the geometrical environment. Comparisons to results obtained by full-wave simulations confirm the feasibility of the model and we demonstrate illustrative examples such as resonant transmissions and waveguiding to show a few examples of many where spoof elastic surface waves are useful.
Directory of Open Access Journals (Sweden)
Balgaisha Mukanova
2017-01-01
Full Text Available The problem of electrical sounding of a medium with ground surface relief is modelled using the integral equations method. This numerical method is based on the triangulation of the computational domain, which is adapted to the shape of the relief and the measuring line. The numerical algorithm is tested by comparing the results with the known solution for horizontally layered media with two layers. Calculations are also performed to verify the fulfilment of the “reciprocity principle” for the 4-electrode installations in our numerical model. Simulations are then performed for a two-layered medium with a surface relief. The quantitative influences of the relief, the resistivity ratios of the contacting media, and the depth of the second layer on the apparent resistivity curves are established.
Electron-impact excitation and ionization cross sections for ground state and excited helium atoms
International Nuclear Information System (INIS)
Ralchenko, Yu.; Janev, R.K.; Kato, T.; Fursa, D.V.; Bray, I.; Heer, F.J. de
2008-01-01
Comprehensive and critically assessed cross sections for the electron-impact excitation and ionization of ground state and excited helium atoms are presented. All states (atomic terms) with n≤4 are treated individually, while the states with n≥5 are considered degenerate. For the processes involving transitions to and from n≥5 levels, suitable cross section scaling relations are presented. For a large number of transitions, from both ground and excited states, convergent close coupling calculations were performed to achieve a high accuracy of the data. The evaluated/recommended cross section data are presented by analytic fit functions, which preserve the correct asymptotic behavior of the cross sections. The cross sections are also displayed in graphical form
Mandal, Sudhansu S.; Mukherjee, Sutirtha; Ray, Koushik
2018-03-01
A method for determining the ground state of a planar interacting many-electron system in a magnetic field perpendicular to the plane is described. The ground state wave-function is expressed as a linear combination of a set of basis functions. Given only the flux and the number of electrons describing an incompressible state, we use the combinatorics of partitioning the flux among the electrons to derive the basis wave-functions as linear combinations of Schur polynomials. The procedure ensures that the basis wave-functions form representations of the angular momentum algebra. We exemplify the method by deriving the basis functions for the 5/2 quantum Hall state with a few particles. We find that one of the basis functions is precisely the Moore-Read Pfaffian wave function.
Levy, J. S.; Fassett, C. I.; Rader, L. X.; King, I. R.; Chaffey, P. M.; Wagoner, C. M.; Hanlon, A. E.; Watters, J. L.; Kreslavsky, M. A.; Holt, J. W.; Russell, A. T.; Dyar, M. D.
2018-02-01
Boulder halos are circular arrangements of clasts present at Martian middle to high latitudes. Boulder halos are thought to result from impacts into a boulder-poor surficial unit that is rich in ground ice and/or sediments and that is underlain by a competent substrate. In this model, boulders are excavated by impacts and remain at the surface as the crater degrades. To determine the distribution of boulder halos and to evaluate mechanisms for their formation, we searched for boulder halos over 4,188 High Resolution Imaging Science Experiment images located between 50-80° north and 50-80° south latitude. We evaluate geological and climatological parameters at halo sites. Boulder halos are about three times more common in the northern hemisphere than in the southern hemisphere (19% versus 6% of images) and have size-frequency distributions suggesting recent Amazonian formation (tens to hundreds of millions of years). In the north, boulder halo sites are characterized by abundant shallow subsurface ice and high thermal inertia. Spatial patterns of halo distribution indicate that excavation of boulders from beneath nonboulder-bearing substrates is necessary for the formation of boulder halos, but that alone is not sufficient. Rather, surface processes either promote boulder halo preservation in the north or destroy boulder halos in the south. Notably, boulder halos predate the most recent period of near-surface ice emplacement on Mars and persist at the surface atop mobile regolith. The lifetime of observed boulders at the Martian surface is greater than the lifetime of the craters that excavated them. Finally, larger minimum boulder halo sizes in the north indicate thicker icy soil layers on average throughout climate variations driven by spin/orbit changes during the last tens to hundreds of millions of years.
International Nuclear Information System (INIS)
Nakatsuji, H.
1979-01-01
The SAC and SAC CI theories are formulated for actual calculations of singlet ground states and their excited states of arbitrary spin multiplicity. Approximations are considered for the variational methods since time-consuming terms are involved. The results of test calculations for singlet states have shown, with much smaller numbers of variables (sizes of the matrices involved), excellent agreement with the full CI and close-to-full CI results. This shows the utility of the SAC theory for ground states and especially of the SAC CI theory for excited states, since the slow convergence of the CI theory is much more critical for excited states than for ground states. (Auth.)
Ground state properties of exotic nuclei in deformed medium mass region
International Nuclear Information System (INIS)
Manju; Chatterjee, R.; Singh, Jagjit; Shubhchintak
2017-01-01
The dipole moment, size of the nucleus and other ground state properties of deformed nuclei 37 Mg and 31 Ne are presented. Furthermore with this deformed wave function the electric dipole strength distribution for deformed nuclei 37 Mg and 31 Ne is calculated. This will allow us to investigate the two dimensional scaling phenomenon with two parameters: quadrupole deformation and separation energy
Some fundamental properties of the ground state of atoms and molecules
International Nuclear Information System (INIS)
Lieb, E.H.
1986-01-01
This paper studies the ground states of atoms and molecules in quantum mechanics and reports on some mathematically rigourous results pertaining to the matter. The non-relativistic Hamiltonian for a molecule in the static nucleus approximation is presented along with notations
Search for 12 C+ 12 C clustering in 24 Mg ground state
Indian Academy of Sciences (India)
Home; Journals; Pramana – Journal of Physics; Volume 88; Issue 2. Search for 12C+12C clustering in 24Mg ground state. B N JOSHI ARUN K JAIN D C BISWAS B V JOHN Y K GUPTA L S DANU R P VIND G K PRAJAPATI S MUKHOPADHYAY A SAXENA. Regular Volume 88 Issue 2 February 2017 Article ID 29 ...
Lower bounds for the ground states of He-isoelectronic series
International Nuclear Information System (INIS)
Fraga, Serafin
1981-01-01
A formulation, based on the concept of null local kinetic energy regions, has been developed for the determination of lower bounds for the ground state of a two-electron atom. Numerical results, obtained from Hartree-Fock functions, are presented for the elements He through Kr of the two-electron series
Ground states and formal duality relations in the Gaussian core model
Cohn, H.; Kumar, A.; Schürmann, A.
2009-01-01
We study dimensional trends in ground states for soft-matter systems. Specifically, using a high-dimensional version of Parrinello-Rahman dynamics, we investigate the behavior of the Gaussian core model in up to eight dimensions. The results include unexpected geometric structures, with surprising
Experimental Insights into Ground-State Selection of Quantum XY Pyrochlores
Hallas, Alannah M.; Gaudet, Jonathan; Gaulin, Bruce D.
2018-03-01
Extensive experimental investigations of the magnetic structures and excitations in the XY pyrochlores have been carried out over the past decade. Three families of XY pyrochlores have emerged: Yb2B2O7, Er2B2O7, and, most recently, [Formula: see text]Co2F7. In each case, the magnetic cation (either Yb, Er, or Co) exhibits XY anisotropy within the local pyrochlore coordinates, a consequence of crystal field effects. Materials in these families display rich phase behavior and are candidates for exotic ground states, such as quantum spin ice, and exotic ground-state selection via order-by-disorder mechanisms. In this review, we present an experimental summary of the ground-state properties of the XY pyrochlores, including evidence that they are strongly influenced by phase competition. We empirically demonstrate the signatures for phase competition in a frustrated magnet: multiple heat capacity anomalies, suppressed TN or TC, sample- and pressure-dependent ground states, and unconventional spin dynamics.
On the topological ground state of E-infinity spacetime and the super string connection
International Nuclear Information System (INIS)
El Naschie, M.S.
2007-01-01
There are at present a huge number of valid super string ground states, making the one corresponding to our own universe extremely hard to determine. Therefore it may come as quite a surprise that it is a rather simple undertaking to determine the exact topological ground state of E-infinity Cantorian spacetime theory. Similar to the ground state of the Higgs for E-infinity, the expectation value of the topological ground state is non-zero and negative. Its value is given exactly by -bar o -∼ n(1/φ) n =-(4+φ 3 ) where φ=(5-1)/2 and n represents an integer Menger-Uhryson dimension running from n=0 to n=-∼. Recalling that the average dimension of ε (∼) is given by ∼ =4+φ 3 , one could interpret this result as saying that our E-infinity spacetime may be viewed as an in itself closed manifold given by the remarkable equation: + =zeroThus in a manner of speaking, the universe could have spontaneously tunnelled into existence from virtual nothingness
Search for 12 C+ 12 C clustering in 24 Mg ground state
Indian Academy of Sciences (India)
In the backdrop of many models, the heavy cluster structure of the ground state of 24 Mg has been probed experimentally for the first time using the heavy cluster knockout reaction 24 Mg( 12 C, 212 C) 12 C in thequasifree scattering kinematic domain. In the ( 12 C, 212 C) reaction, the direct 12 C-knockout cross-section was ...
Ground state properties of the bond alternating spin-1/2 anisotropic Heisenberg chain
Directory of Open Access Journals (Sweden)
S. Paul
2017-06-01
Full Text Available Ground state properties, dispersion relations and scaling behaviour of spin gap of a bond alternating spin-1/2 anisotropic Heisenberg chain have been studied where the exchange interactions on alternate bonds are ferromagnetic (FM and antiferromagnetic (AFM in two separate cases. The resulting models separately represent nearest neighbour (NN AFM-AFM and AFM-FM bond alternating chains. Ground state energy has been estimated analytically by using both bond operator and Jordan-Wigner representations and numerically by using exact diagonalization. Dispersion relations, spin gap and several ground state orders have been obtained. Dimer order and string orders are found to coexist in the ground state. Spin gap is found to develop as soon as the non-uniformity in alternating bond strength is introduced in the AFM-AFM chain which further remains non-zero for the AFM-FM chain. This spin gap along with the string orders attribute to the Haldane phase. The Haldane phase is found to exist in most of the anisotropic region similar to the isotropic point.
Relativistic analysis of nuclear ground state densities at 135 to 200 ...
Indian Academy of Sciences (India)
fitting of differential cross-section and analyzing power, and the appearance of wine-bottle- ... So, the effect of different nuclear density distributions is quite conspicuous in the relativistic ap- proach. Hence, we have analyzed five different nuclear ground state .... The NEG and FNEG densities have been used to see the effect.
Magnetostriction-driven ground-state stabilization in 2H perovskites
International Nuclear Information System (INIS)
Porter, D. G.; Senn, M. S.; University of Oxford; Khalyavin, D. D.; Cortese, A.
2016-01-01
In this paper, the magnetic ground state of Sr_3ARuO_6, with A =(Li,Na), is studied using neutron diffraction, resonant x-ray scattering, and laboratory characterization measurements of high-quality crystals. Combining these results allows us to observe the onset of long-range magnetic order and distinguish the symmetrically allowed magnetic models, identifying in-plane antiferromagnetic moments and a small ferromagnetic component along the c axis. While the existence of magnetic domains masks the particular in-plane direction of the moments, it has been possible to elucidate the ground state using symmetry considerations. We find that due to the lack of local anisotropy, antisymmetric exchange interactions control the magnetic order, first through structural distortions that couple to in-plane antiferromagnetic moments and second through a high-order magnetoelastic coupling that lifts the degeneracy of the in-plane moments. Finally, the symmetry considerations used to rationalize the magnetic ground state are very general and will apply to many systems in this family, such as Ca_3ARuO_6, with A = (Li,Na), and Ca_3LiOsO_6 whose magnetic ground states are still not completely understood.
Patterns of the ground states in the presence of random interactions : Nucleon systems
Zhao, YM; Arima, A; Shimizu, N; Ogawa, K; Yoshinaga, N; Scholten, O
We present our results on properties of ground states for nucleonic systems in the presence of random two-body interactions. In particular, we calculate probability distributions for parity, seniority, spectroscopic (i.e., in the laboratory frame) quadrupole moments, and discuss a clustering in the
Quantum double-well chain: Ground-state phases and applications to hydrogen-bonded materials
International Nuclear Information System (INIS)
Wang, X.; Campbell, D.K.; Gubernatis, J.E.
1994-01-01
Extrapolating the results of hybrid quantum Monte Carlo simulations to the zero temperature and infinite-chain-length limits, we calculate the ground-state phase diagram of a system of quantum particles on a chain of harmonically coupled, symmetric, quartic double-well potentials. We show that the ground state of this quantum chain depends on two parameters, formed from the ratios of the three natural energy scales in the problem. As a function of these two parameters, the quantum ground state can exhibit either broken symmetry, in which the expectation values of the particle's coordinate are all nonzero (as would be the case for a classical chain), or restored symmetry, in which the expectation values of the particle's coordinate are all zero (as would be the case for a single quantum particle). In addition to the phase diagram as a function of these two parameters, we calculate the ground-state energy, an order parameter related to the average position of the particle, and the susceptibility associated with this order parameter. Further, we present an approximate analytic estimate of the phase diagram and discuss possible physical applications of our results, emphasizing the behavior of hydrogen halides under pressure
Ground state structures and properties of Si3Hn (n= 1–6) clusters
Indian Academy of Sciences (India)
The ground state structures and properties of Si3H (1 ≤ ≤ 6) clusters have been calculated using Car–Parrinello molecular dynamics with simulated annealing and steepest descent optimization methods. We have studied cohesive energy per particle and first excited electronic level gap of the clusters as a function of ...
Soluble and stable heptazethrenebis(dicarboximide) with a singlet open-shell ground state
Sun, Zhe; Huang, Kuo-Wei; Wu, Jishan
2011-01-01
A soluble and stable heptazethrene derivative was synthesized and characterized for the first time. This molecule exhibits a singlet biradical character in the ground state, which is the first case among zethrene homologue series. Exceptional stability of this heptazethrenebis(dicarboximide) raises the likelihood of its practical applications in materials science. © 2011 American Chemical Society.
Long-range interactions of excited He atoms with ground-state noble-gas atoms
Zhang, J.-Y.; Qian, Ying; Schwingenschlö gl, Udo; Yan, Z.-C.
2013-01-01
The dispersion coefficients C6, C8, and C10 for long-range interactions of He(n1,3S) and He(n1,3P), 2≤n≤10, with the ground-state noble-gas atoms Ne, Ar, Kr, and Xe are calculated by summing over the reduced matrix elements of multipole transition
A nonlinear programming approach to lower bounds for the ground-state energy of helium
International Nuclear Information System (INIS)
Porras, I.; Feldmann, D.M.; King, F.W.
1999-01-01
Lower-bound estimates for the ground-state energy of the helium atom are determined using nonlinear programming techniques. Optimized lower bounds are determined for single-particle, radially correlated, and general correlated wave functions. The local nature of the method employed makes it a very severe test of the accuracy of the wave function
Soluble and stable heptazethrenebis(dicarboximide) with a singlet open-shell ground state
Sun, Zhe
2011-08-10
A soluble and stable heptazethrene derivative was synthesized and characterized for the first time. This molecule exhibits a singlet biradical character in the ground state, which is the first case among zethrene homologue series. Exceptional stability of this heptazethrenebis(dicarboximide) raises the likelihood of its practical applications in materials science. © 2011 American Chemical Society.
Rabi Oscillations between Ground and Rydberg States with Dipole-Dipole Atomic Interactions
International Nuclear Information System (INIS)
Johnson, T. A.; Urban, E.; Henage, T.; Isenhower, L.; Yavuz, D. D.; Walker, T. G.; Saffman, M.
2008-01-01
We demonstrate Rabi oscillations of small numbers of 87 Rb atoms between ground and Rydberg states with n≤43. Coherent population oscillations are observed for single atoms, while the presence of two or more atoms decoheres the oscillations. We show that these observations are consistent with van der Waals interactions of Rydberg atoms
Ground-state energy of an exciton-(LO) phonon system in a parabolic quantum well
Gerlach, B.; Wüsthoff, J.; Smondyrev, M. A.
1999-12-01
This paper presents a variational study of the ground-state energy of an exciton-(LO) phonon system, which is spatially confined to a quantum well. The exciton-phonon interaction is of Fröhlich type, the confinement potentials are assumed to be parabolic functions of the coordinates. Making use of functional integral techniques, the phonon part of the problem can be eliminated exactly, leading us to an effective two-particle system, which has the same spectral properties as the original one. Subsequently, Jensen's inequality is applied to obtain an upper bound on the ground-state energy. The main intention of this paper is to analyze the influence of the quantum-well-induced localization of the exciton on its ground-state energy (or its binding energy, respectively). To do so, we neglect any mismatch of the masses or the dielectric constants, but admit an arbitrary strength of the confinement potentials. Our approach allows for a smooth interpolation of the ultimate limits of vanishing and infinite confinement, corresponding to the cases of a free three-dimensional and a free two-dimensional exciton-phonon system. The interpolation formula for the ground-state energy bound corresponds to similar formulas for the free polaron or the free exciton-phonon system. These bounds in turn are known to compare favorably with all previous ones, which we are aware of.
The impact of changing climate on surface and ground water quality in southeast of Ireland
Tribak, Kamal
2015-04-01
In the current changing climate globally, Ireland have been experiencing a yearly recurrent extreme heavy rainfall events in the last decade, with damaging visible effects socially, economically and on the environment. Ireland intensive agriculture production is a major treat to the aquatic environment, Nitrogen and phosphorus losses to the water courses are major causes to eutrophication. The European Water Frame Directive (WFD 2000/60/EC) and Nitrates Directive (91/676/EEC) sets a number of measures to better protect and improve water status. Five years of high temporal resolution river water quality data measurement from two contrasting catchment in the southeast of Ireland were correlated with rain fall and nutrients losses to the ground and surface water, additional to the integrated Southeast River District Basin ground and surface water quality to establish spatiotemporal connection to the agriculture activities, the first well-drained soil catchment had high coefficient correlation with rain fall with higher losses to groundwater, on the other hand higher nutrients losses to surface water were higher with less influence from groundwater recharge of N and P transfer, the poorly clay base soil contributed to higher increased losses to surface water during excessive rain fall. Agriculture activities, hydrology, geology and human interaction can interact according to their site specific setting and the effects will fluctuate dependent on the conditions influencing the impact on water quality, there is a requirement to better distinguish those effects together and identify areas and land uses control and nutrients management to improve the water quality, stakeholders co-operation along with effective polices, long term monitoring, nutrients pathways management and better understanding of the environmental factors interaction on national, regional and catchment scale to enable planning policies and enforcement measures to be more focused on areas of high risk
Anbazhagan, P.; Lijun, Su; Buddhima, Indraratna; Cholachat, Rujikiatkamjorn
2011-08-01
Ballast fouling is created by the breakdown of aggregates or outside contamination by coal dust from coal trains, or from soil intrusion beneath rail track. Due to ballast fouling, the conditions of rail track can be deteriorated considerably depending on the type of fouling material and the degree of fouling. So far there is no comprehensive guideline available to identify the critical degree of fouling for different types of fouling materials. This paper presents the identification of degree of fouling and types of fouling using non-destructive testing, namely seismic surface-wave and ground penetrating radar (GPR) survey. To understand this, a model rail track with different degree of fouling has been constructed in Civil engineering laboratory, University of Wollongong, Australia. Shear wave velocity obtained from seismic survey has been employed to identify the degree of fouling and types of fouling material. It is found that shear wave velocity of fouled ballast increases initially, reaches optimum fouling point (OFP), and decreases when the fouling increases. The degree of fouling corresponding after which the shear wave velocity of fouled ballast will be smaller than that of clean ballast is called the critical fouling point (CFP). Ground penetrating radar with four different ground coupled antennas (500 MHz, 800 MHz, 1.6 GHz and 2.3 GHz) was also used to identify the ballast fouling condition. It is found that the 800 MHz ground coupled antenna gives a better signal in assessing the ballast fouling condition. Seismic survey is relatively slow when compared to GPR survey however it gives quantifiable results. In contrast, GPR survey is faster and better in estimating the depth of fouling.
Trommer, J.T.; Sacks, L.A.; Kuniansky, E.L.
2007-01-01
A study of the Hillsborough River watershed was conducted between October 1999 through September 2003 to characterize the hydrology, water quality, and interaction between the surface and ground water in the highly karstic uppermost part of the watershed. Information such as locations of ground-water recharge and discharge, depth of the flow system interacting with the stream, and water quality in the watershed can aid in prudent water-management decisions. The upper Hillsborough River watershed covers a 220-square-mile area upstream from Hillsborough River State Park where the watershed is relatively undeveloped. The watershed contains a second order magnitude spring, many karst features, poorly drained swamps, marshes, upland flatwoods, and ridge areas. The upper Hillsborough River watershed is subdivided into two major subbasins, namely, the upper Hillsborough River subbasin, and the Blackwater Creek subbasin. The Blackwater Creek subbasin includes the Itchepackesassa Creek subbasin, which in turn includes the East Canal subbasin. The upper Hillsborough River watershed is underlain by thick sequences of carbonate rock that are covered by thin surficial deposits of unconsolidated sand and sandy clay. The clay layer is breached in many places because of the karst nature of the underlying limestone, and the highly variable degree of confinement between the Upper Floridan and surficial aquifers throughout the watershed. Potentiometric-surface maps indicate good hydraulic connection between the Upper Floridan aquifer and the Hillsborough River, and a poorer connection with Blackwater and Itchepackesassa Creeks. Similar water level elevations and fluctuations in the Upper Floridan and surficial aquifers at paired wells also indicate good hydraulic connection. Calcium was the dominant ion in ground water from all wells sampled in the watershed. Nitrate concentrations were near or below the detection limit in all except two wells that may have been affected by
The magnetic structure on the ground state of the equilateral triangular spin tube
International Nuclear Information System (INIS)
Matsui, Kazuki; Goto, Takayuki; Manaka, Hirotaka; Miura, Yoko
2016-01-01
The ground state of the frustrated equilateral triangular spin tube CsCrF_4 is still hidden behind a veil though NMR spectrum broaden into 2 T at low temperature. In order to investigate the spin structure in an ordered state by "1"9F-NMR, we have determined the anisotropic hyperfine coupling tensors for each three fluorine sites in the paramagnetic state. The measurement field was raised up to 10 T to achieve highest resolution. The preliminary analysis using the obtained hyperfine tensors has shown that the archetypal 120°-type structure in ab-plane does not accord with the NMR spectra of ordered state.
Global optimization of proteins using a dynamical lattice model: Ground states and energy landscapes
Dressel, F.; Kobe, S.
2004-01-01
A simple approach is proposed to investigate the protein structure. Using a low complexity model, a simple pairwise interaction and the concept of global optimization, we are able to calculate ground states of proteins, which are in agreement with experimental data. All possible model structures of small proteins are available below a certain energy threshold. The exact lowenergy landscapes for the trp cage protein (1L2Y) is presented showing the connectivity of all states and energy barriers.
Czech Academy of Sciences Publication Activity Database
Vackář, Jiří; Šipr, Ondřej; Šimůnek, Antonín
2008-01-01
Roč. 77, č. 4 (2008), 045112/1-045112/6 ISSN 1098-0121 R&D Projects: GA AV ČR IAA100100514; GA AV ČR(CZ) IAA100100637 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521 Keywords : core levels * ab-initio calculations * electronic states * ground state properties Subject RIV: BE - Theoretical Physics Impact factor: 3.322, year: 2008
Air and Ground Surface Temperature Relations in a Mountainous Basin, Wolf Creek, Yukon Territory
Roadhouse, Emily A.
The links between climate and permafrost are well known, but the precise nature of the relationship between air and ground temperatures remains poorly understood, particularly in complex mountain environments. Although previous studies indicate that elevation and potential incoming solar radiation (PISR) are the two leading factors contributing to the existence of permafrost at a given location, additional factors may also contribute significantly to the existence of mountain permafrost, including vegetation cover, snow accumulation and the degree to which individual mountain landscapes are prone to air temperature inversions. Current mountain permafrost models consider only elevation and aspect, and have not been able to deal with inversion effects in a systematic fashion. This thesis explores the relationship between air and ground surface temperatures and the presence of surface-based inversions at 27 sites within the Wolf Creek basin and surrounding area between 2001 and 2006, as a first step in developing an improved permafrost distribution TTOP model. The TTOP model describes the relationship between the mean annual air temperature and the temperature at the top of permafrost in terms of the surface and thermal offsets (Smith and Riseborough, 2002). Key components of this model are n-factors which relate air and ground climate by establishing the ratio between air and surface freezing (winter) and thawing (summer) degree-days, thus summarizing the surface energy balance on a seasonal basis. Here we examine (1) surface offsets and (2) freezing and thawing n-factor variability at a number of sites through altitudinal treeline in the southern Yukon. Thawing n-factors (nt) measured at individual sites remained relatively constant from one year to the next and may be related to land cover. During the winter, the insulating effect of a thick snow cover results in higher surface temperatures, while thin snow cover results in low surface temperatures more closely
Wang, Hong; Gao, Jian-en; Li, Xing-hua; Zhang, Shao-long; Wang, Hong-jie
2015-01-01
To evaluate the process of nitrate accumulation and leaching in surface and ground water, we conducted simulated rainfall experiments. The experiments were performed in areas of 5.3 m2 with bare slopes of 3° that were treated with two nitrogen fertilizer inputs, high (22.5 g/m2 NH4NO3) and control (no fertilizer), and subjected to 2 hours of rainfall, with. From the 1st to the 7th experiments, the same content of fertilizer mixed with soil was uniformly applied to the soil surface at 10 minutes before rainfall, and no fertilizer was applied for the 8th through 12th experiments. Initially, the time-series nitrate concentration in the surface flow quickly increased, and then it rapidly decreased and gradually stabilized at a low level during the fertilizer experiments. The nitrogen loss in the surface flow primarily occurred during the first 18.6 minutes of rainfall. For the continuous fertilizer experiments, the mean nitrate concentrations in the groundwater flow remained at less than 10 mg/L before the 5th experiment, and after the 7th experiment, these nitrate concentrations were greater than 10 mg/L throughout the process. The time-series process of the changing concentration in the groundwater flow exhibited the same parabolic trend for each fertilizer experiment. However, the time at which the nitrate concentration began to change lagged behind the start time of groundwater flow by approximately 0.94 hours on average. The experiments were also performed with no fertilizer. In these experiments, the mean nitrate concentration of groundwater initially increased continuously, and then, the process exhibited the same parabolic trend as the results of the fertilization experiments. The nitrate concentration decreased in the subsequent experiments. Eight days after the 12 rainfall experiments, 50.53% of the total nitrate applied remained in the experimental soil. Nitrate residues mainly existed at the surface and in the bottom soil layers, which represents a
Seasonal Influences on Ground-Surface Water Interactions in an Arsenic-Affected Aquifer in Cambodia
Richards, L. A.; Magnone, D.; Van Dongen, B.; Bryant, C.; Boyce, A.; Ballentine, C. J.; Polya, D. A.
2015-12-01
Millions of people in South and Southeast Asia consume drinking water daily which contains dangerous levels of arsenic exceeding health-based recommendations [1]. A key control on arsenic mobilization in aquifers in these areas has been controversially identified as the interaction of 'labile' organic matter contained in surface waters with groundwaters and sediments at depth [2-4], which may trigger the release of arsenic from the solid- to aqueous-phase via reductive dissolution of iron-(hyr)oxide minerals [5]. In a field site in Kandal Province, Cambodia, which is an arsenic-affected area typical to others in the region, there are strong seasonal patterns in groundwater flow direction, which are closely related to monsoonal rains [6] and may contribute to arsenic release in this aquifer. The aim of this study is to explore the implications of the high susceptibility of this aquifer system to seasonal changes on potential ground-surface water interactions. The main objectives are to (i) identify key zones where there are likely ground-surface water interactions, (ii) assess the seasonal impact of such interactions and (iii) quantify the influence of interactions using geochemical parameters (such as As, Fe, NO3, NH4, 14C, 3T/3He, δ18O, δ2H). Identifying the zones, magnitude and seasonal influence of ground-surface water interactions elucidates new information regarding potential locations/pathways of arsenic mobilization and/or transport in affected aquifers and may be important for water management strategies in affected areas. This research is supported by NERC (NE/J023833/1) to DP, BvD and CJB and a NERC PhD studentship (NE/L501591/1) to DM. References: [1] World Health Organization, 2008. [2] Charlet & Polya (2006), Elements, 2, 91-96. [3] Harvey et al. (2002), Science, 298, 1602-1606. [4] Lawson et al. (2013), Env. Sci. Technol. 47, 7085 - 7094. [5] Islam et al. (2004), Nature, 430, 68-71. [6] Benner et al. (2008) Appl. Geochem. 23(11), 3072 - 3087.
Ground-state kinetics of bistable redox-active donor-acceptor mechanically interlocked molecules.
Fahrenbach, Albert C; Bruns, Carson J; Li, Hao; Trabolsi, Ali; Coskun, Ali; Stoddart, J Fraser
2014-02-18
The ability to design and confer control over the kinetics of theprocesses involved in the mechanisms of artificial molecular machines is at the heart of the challenge to create ones that can carry out useful work on their environment, just as Nature is wont to do. As one of the more promising forerunners of prototypical artificial molecular machines, chemists have developed bistable redox-active donor-acceptor mechanically interlocked molecules (MIMs) over the past couple of decades. These bistable MIMs generally come in the form of [2]rotaxanes, molecular compounds that constitute a ring mechanically interlocked around a dumbbell-shaped component, or [2]catenanes, which are composed of two mechanically interlocked rings. As a result of their interlocked nature, bistable MIMs possess the inherent propensity to express controllable intramolecular, large-amplitude, and reversible motions in response to redox stimuli. In this Account, we rationalize the kinetic behavior in the ground state for a large assortment of these types of bistable MIMs, including both rotaxanes and catenanes. These structures have proven useful in a variety of applications ranging from drug delivery to molecular electronic devices. These bistable donor-acceptor MIMs can switch between two different isomeric states. The favored isomer, known as the ground-state co-conformation (GSCC) is in equilibrium with the less favored metastable state co-conformation (MSCC). The forward (kf) and backward (kb) rate constants associated with this ground-state equilibrium are intimately connected to each other through the ground-state distribution constant, KGS. Knowing the rate constants that govern the kinetics and bring about the equilibration between the MSCC and GSCC, allows researchers to understand the operation of these bistable MIMs in a device setting and apply them toward the construction of artificial molecular machines. The three biggest influences on the ground-state rate constants arise from
International Nuclear Information System (INIS)
Shi, Wei; Hu, Guanjiu; Chen, Sulan; Wei, Si; Cai, Xi; Chen, Bo; Feng, Jianfang; Hu, Xinxin; Wang, Xinru; Yu, Hongxia
2013-01-01
Second-grade surface water and ground water are considered as the commonly used cleanest water in the Yangtze River Delta, which supplies centralized drinking water and contains rare species. However, some synthetic chemicals with estrogenic disrupting activities are detectable. Estrogenic activities in the second-grade surface water and ground water were surveyed by a green monkey kidney fibroblast (CV-1) cell line based ER reporter gene assay. Qualitative and quantitative analysis were further conducted to identify the responsible compounds. Estrogen receptor (ER) agonist activities were present in 7 out of 16 surface water and all the ground water samples. Huaihe River and Yangtze River posed the highest toxicity potential. The highest equivalent (2.2 ng E 2 /L) is higher than the predicted no-effect-concentration (PNEC). Bisphenol A (BPA) contributes to greater than 50% of the total derived equivalents in surface water, and the risk potential in this region deserves more attention and further research. -- Highlights: •Estrogenic activities were present in second-grade surface water and ground water. •Most of the detected equivalents were higher than the predicted no-effect-concentration of E 2 . •ER-EQ 20–80 ranges showed that samples in Huaihe River and Yangtze River posed the highest toxicity. •Bisphenol A contributes to most of the instrumentally derived equivalents in surface water. -- Estrogenic activities were observed in second-grade surface water and ground water in Yangtze River Delta, and BPA was the responsible contaminant
Ground state shape and crossing of near spherical and deformed bands in 182Hg
International Nuclear Information System (INIS)
Ma, W.C.; Ramayya, A.V.; Hamilton, J.H.; Robinson, S.J.; Barclay, M.E.; Zhao, K.; Cole, J.D.; Zganjar, E.F.; Spejewski, E.H.
1983-01-01
The energy levels of 182 Hg have been identified for the first time through comparison of in-beam studies of the reactions 156 154 Gd( 32 S,4n) 184 182 Hg. Levels up to 12 + in 182 Hg were established from γ-γ coincidence and singles measurement. The data establish that the ground state shape is near spherical, and that the ground band is crossed by a well deformed band at 4 + . In contrast to IBA model predictions that the deformed band will rise in energy in 182 Hg compared to 184 Hg, the energies of the deformed levels in 182 Hg continue to drop. 7 references
Radon concentrations in ground and drinking water in the state of Chihuahua, Mexico
International Nuclear Information System (INIS)
Villalba, L.; Colmenero Sujo, L.; Montero Cabrera, M.E.; Cano Jimenez, A.; Renteria Villalobos, M.; Delgado Mendoza, C.J.; Jurado Tenorio, L.A.; Davila Rangel, I.; Herrera Peraza, E.F.
2005-01-01
This paper reports 222 Rn concentrations in ground and drinking water of nine cities of Chihuahua State, Mexico. Fifty percent of the 114 sampled wells exhibited 222 Rn concentrations exceeding 11 Bq/L, the maximum contaminant level (MCL) recommended by the USEPA. Furthermore, around 48% (123 samples) of the tap-water samples taken from 255 dwellings showed radon concentrations over the MCL. There is an apparent correlation between total dissolved solids and radon concentration in ground-water. The high levels of 222 Rn found may be entirely attributed to the nature of aquifer rocks
Radon concentrations in ground and drinking water in the state of Chihuahua, Mexico
Energy Technology Data Exchange (ETDEWEB)
Villalba, L. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico); Colmenero Sujo, L. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico); Instituto Tecnologico de Chihuahua II, Ave. de las Industrias 11101, Chihuahua, Chih. (Mexico); Montero Cabrera, M.E. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico)]. E-mail: elena.montero@cimav.edu.mx; Cano Jimenez, A. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico); Renteria Villalobos, M. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico); Delgado Mendoza, C.J. [Facultad de Ciencias Quimicas, Universidad Autonoma de Chihuahua, Ciudad Universitaria S/N, Chihuahua, Chih. (Mexico); Jurado Tenorio, L.A. [Facultad de Ciencias Quimicas, Universidad Autonoma de Chihuahua, Ciudad Universitaria S/N, Chihuahua, Chih. (Mexico); Davila Rangel, I. [Centro Regional de Estudios Nucleares, Universidad Autonoma de Zacatecas, Cipres 20, Zacatecas, Zac. (Mexico); Herrera Peraza, E.F. [Centro de Investigacion en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, Chih. (Mexico)
2005-07-01
This paper reports {sup 222}Rn concentrations in ground and drinking water of nine cities of Chihuahua State, Mexico. Fifty percent of the 114 sampled wells exhibited {sup 222}Rn concentrations exceeding 11 Bq/L, the maximum contaminant level (MCL) recommended by the USEPA. Furthermore, around 48% (123 samples) of the tap-water samples taken from 255 dwellings showed radon concentrations over the MCL. There is an apparent correlation between total dissolved solids and radon concentration in ground-water. The high levels of {sup 222}Rn found may be entirely attributed to the nature of aquifer rocks.
Radon concentrations in ground and drinking water in the state of Chihuahua, Mexico.
Villalba, L; Colmenero Sujo, L; Montero Cabrera, M E; Cano Jiménez, A; Rentería Villalobos, M; Delgado Mendoza, C J; Jurado Tenorio, L A; Dávila Rangel, I; Herrera Peraza, E F
2005-01-01
This paper reports (222)Rn concentrations in ground and drinking water of nine cities of Chihuahua State, Mexico. Fifty percent of the 114 sampled wells exhibited (222)Rn concentrations exceeding 11Bq/L, the maximum contaminant level (MCL) recommended by the USEPA. Furthermore, around 48% (123 samples) of the tap-water samples taken from 255 dwellings showed radon concentrations over the MCL. There is an apparent correlation between total dissolved solids and radon concentration in ground-water. The high levels of (222)Rn found may be entirely attributed to the nature of aquifer rocks.
International Nuclear Information System (INIS)
Mazziotti, David A.
2002-01-01
Atomic and molecular ground-state energies are variationally determined by constraining the two-particle reduced density matrix (2-RDM) to satisfy positivity conditions. Because each positivity condition corresponds to correcting the ground-state energies for a class of Hamiltonians with two-particle interactions, these conditions collectively provide a new approach to many-body theory that, unlike perturbation theory, can capture significantly correlated phenomena including the multireference effects of potential-energy surfaces. The D, Q, and G conditions for the 2-RDM are extended through generalized lifting operators inspired from the formal solution of N-representability. These lifted conditions agree with the hierarchy of positivity conditions presented by Mazziotti and Erdahl [Phys. Rev. A 63, 042113 (2001)]. The connection between positivity and the formal solution explains how constraining higher RDMs to be positive semidefinite improves the N representability of the 2-RDM and suggests using pieces of higher positivity conditions that computationally scale like the D condition. With the D, Q, and G conditions as well as pieces of higher positivity the electronic energies for Be, LiH, H 2 O, and BH are computed through a primal-dual interior-point algorithm for positive semidefinite programming. The variational method produces potential-energy surfaces that are highly accurate even far from the equilibrium geometry where single-reference perturbation-based methods often fail to produce realistic energies
Surface-Water and Ground-Water Interactions in the Central Everglades, Florida
Harvey, Judson W.; Newlin, Jessica T.; Krest, James M.; Choi, Jungyill; Nemeth, Eric A.; Krupa, Steven L.
2004-01-01
Recharge and discharge are hydrological processes that cause Everglades surface water to be exchanged for subsurface water in the peat soil and the underlying sand and limestone aquifer. These interactions are thought to be important to water budgets, water quality, and ecology in the Everglades. Nonetheless, relatively few studies of surface water and ground water interactions have been conducted in the Everglades, especially in its vast interior areas. This report is a product of a cooperative investigation conducted by the USGS and the South Florida Water Management District (SFWMD) aimed at developing and testing techniques that would provide reliable estimates of recharge and discharge in interior areas of WCA-2A (Water Conservation Area 2A) and several other sites in the central Everglades. The new techniques quantified flow from surface water to the subsurface (recharge) and the opposite (discharge) using (1) Darcy-flux calculations based on measured vertical gradients in hydraulic head and hydraulic conductivity of peat; (2) modeling transport through peat and decay of the naturally occurring isotopes 224Ra and 223Ra (with half-lives of 4 and 11 days, respectively); and (3) modeling transport and decay of naturally occurring and 'bomb-pulse' tritium (half-life of 12.4 years) in ground water. Advantages and disadvantages of each method for quantifying recharge and discharge were compared. In addition, spatial and temporal variability of recharge and discharge were evaluated and controlling factors identified. A final goal was to develop appropriately simplified (that is, time averaged) expressions of the results that will be useful in addressing a broad range of hydrological and ecological problems in the Everglades. Results were compared with existing information about water budgets from the South Florida Water Management Model (SFWMM), a principal tool used by the South Florida Water Management District to plan many of the hydrological aspects of the
Energy Technology Data Exchange (ETDEWEB)
Kim, Sungyeop; Beeley, Philip A. [Khalifa Univ. of Science, Abu Dhabi (United Arab Emirates); Kim, Sungyeop; Chang, Soonheung; Lee, Kunjai [Korea Advanced Institute of Science and Technology, Daejeon (Korea, Republic of)
2013-05-15
The site of nuclear power plant (NPP) in the UAE has several unique characteristics as a NPP on the desert environment near coastal region. Those characteristics are represented like below: · Arid ground surface · Low ground surface roughness length · Relatively simple (flat) terrain · Extremely low precipitation · Intense solar radiation and high temperature in day time · Sea breeze · Relatively high humidity of atmosphere · Etc. From the review of this desert environment in the UAE, low ground surface roughness is regarded as one of definitively different characteristics from that of other NPP sites. In this context, surface roughness is selected as independent variables for the sensitivity analyses in this research. Another important reason of this selection is that this parameters is less dependent on the day and night change than other parameters. With ground level concentration, dry deposition rate has been chosen as a dependent variable to be considered rather than wet deposition because UAE shows almost zero rainfall especially in summer. Lower ground level concentration of Cs-137 near the site and extremely lower dry deposition of Cs-137 are predicted in the UAE environment because of the lower ground surface roughness of the desert.
Theory of Nonlinear Dispersive Waves and Selection of the Ground State
International Nuclear Information System (INIS)
Soffer, A.; Weinstein, M.I.
2005-01-01
A theory of time-dependent nonlinear dispersive equations of the Schroedinger or Gross-Pitaevskii and Hartree type is developed. The short, intermediate and large time behavior is found, by deriving nonlinear master equations (NLME), governing the evolution of the mode powers, and by a novel multitime scale analysis of these equations. The scattering theory is developed and coherent resonance phenomena and associated lifetimes are derived. Applications include Bose-Einstein condensate large time dynamics and nonlinear optical systems. The theory reveals a nonlinear transition phenomenon, 'selection of the ground state', and NLME predicts the decay of excited state, with half its energy transferred to the ground state and half to radiation modes. Our results predict the recent experimental observations of Mandelik et al. in nonlinear optical waveguides
Magnetic ground and remanent states of synthetic metamagnets with perpendicular anisotropy
International Nuclear Information System (INIS)
Kiselev, N S; Roessler, U K; Bogdanov, A N; Hellwig, O
2011-01-01
In this work, we summarize our theoretical results within a phenomenological micromagnetic approach for magnetic ground state and nonequilibrium states as topological magnetic defects in multilayers with strong perpendicular anisotropy and antiferromagnetic (AF) interlayer exchange coupling (IEC), e.g. [Co/Pt(Pd)]/Ru(Ir, NiO). We give detailed analysis of our model together with the most representative results which elucidate common features of such systems. We discuss phase diagrams of the magnetic ground state, and compare solutions of our model with experimental data. A model to assess the stability of so-called tiger tail patterns is presented. It is found that these modulated topological defect cannot be stabilized by an interplay between magnetostatic and IEC energies only. It is argued that tiger tail patterns arise as nuclei of ferro-stripe structure in AF domain walls and that they are stabilized by domain wall pinning.
The ground state energy of 3He droplet in the LOCV framework
International Nuclear Information System (INIS)
Modarres, M.; Motahari, S.; Rajabi, A.
2012-01-01
The (extended) lowest order constrained variational method was used to calculate the ground state energy of liquid helium 3 ( 3 He) droplets at zero temperature. Different types of density distribution profiles, such as the Gaussian, the Quasi-Gaussian and the Woods-Saxon were used. It was shown that at least, on average, near 20 3 He atoms are needed to get the bound state for 3 He liquid droplet. Depending on the choice of the density profiles and the atomic radius of 3 He, the above estimate can increase to 300. Our calculated ground state energy and the number of atoms in liquid 3 He droplet were compared with those of Variational Monte Carlo method, Diffusion Monte Carlo method and Density Functional Theory, for which a reasonable agreement was found.
Non-Gaussian ground-state deformations near a black-hole singularity
Hofmann, Stefan; Schneider, Marc
2017-03-01
The singularity theorem by Hawking and Penrose qualifies Schwarzschild black holes as geodesic incomplete space-times. Albeit this is a mathematically rigorous statement, it requires an operational framework that allows us to probe the spacelike singularity via a measurement process. Any such framework necessarily has to be based on quantum theory. As a consequence, the notion of classical completeness needs to be adapted to situations where the only adequate description is in terms of quantum fields in dynamical space-times. It is shown that Schwarzschild black holes turn out to be complete when probed by self-interacting quantum fields in the ground state and in excited states. The measure for populating quantum fields on hypersurfaces in the vicinity of the black-hole singularity goes to zero towards the singularity. This statement is robust under non-Gaussian deformations of and excitations relative to the ground state. The physical relevance of different completeness concepts for black holes is discussed.
2D XXZ model ground state properties using an analytic Lanczos expansion
International Nuclear Information System (INIS)
Witte, N.S.; Hollenberg, L.C.L.; Weihong Zheng
1997-01-01
A formalism was developed for calculating arbitrary expectation values for any extensive lattice Hamiltonian system using a new analytic Lanczos expansion, or plaquette expansion, and a recently proved exact theorem for ground state energies. The ground state energy, staggered magnetisation and the excited state gap of the 2D anisotropic antiferromagnetic Heisenberg Model are then calculated using this expansion for a range of anisotropy parameters and compared to other moment based techniques, such as the t-expansion, and spin-wave theory and series expansion methods. It was found that far from the isotropic point all moment methods give essentially very similar results, but near the isotopic point the plaquette expansion is generally better than the others. 20 refs., 6 tabs
Hylleraas-Configuration Interaction study of the 1S ground state of the negative Li ion.
Sims, James S
2017-12-28
In a previous work Sims and Hagstrom [J. Chem. Phys. 140, 224312 (2014)] reported Hylleraas-Configuration Interaction (Hy-CI) method variational calculations for the neutral atom and positive ion 1 S ground states of the beryllium isoelectronic sequence. The Li - ion, nominally the first member of this series, has a decidedly different electronic structure. This paper reports the results of a large, comparable calculation for the Li - ground state to explore how well the Hy-CI method can represent the more diffuse L shell of Li - which is representative of the Be(2sns) excited states as well. The best non-relativistic energy obtained was -7.500 776 596 hartree, indicating that 10 - 20 nh accuracy is attainable in Hy-CI and that convergence of the r 12 r 34 double cusp is fast and that this correlation type can be accurately represented within the Hy-CI model.
Influence of mass-asymmetry and ground state spin on fission fragment angular distributions
International Nuclear Information System (INIS)
Thomas, R.G.; Biswas, D.C.; Saxena, A.; Pant, L.M.; Nayak, B.K.; Vind, R.P.; Sahu, P.K.; Sinha, Shrabani; Choudhury, R.K.
2001-01-01
The strong influence of the target or/and projectile ground state spin on the anomalously large anisotropies of fission fragments produced in the heavy-ion induced fission of actinide targets were reported earlier. Interestingly, all those systems studied were having a mass asymmetry greater than the Businaro-Gallone critical asymmetry and hence the presence of pre-equilibrium fission was unambiguously ruled out. The observed anisotropies were successfully explained using the ECD-K-States model. It is of interest to know the influence of the target/projectile ground state spin on systems having an entrance channel mass asymmetry less than the critical value where pre-equilibrium fission cannot be ignored. With this motivation we performed measurements of fission fragment angular distributions of the 16 O+ 235 U (spin=7/2) system
Ground-state properties of K-isotopes from laser and $\\beta$-NMR spectroscopy
Lievens, P; Rajabali, M M; Krieger, A R
By combining high-resolution laser spectroscopy with $\\beta$-NMR spectroscopy on polarized K-beams we aim to establish the ground-state spins and magnetic moments of the neutron-rich $^{48,49,50,51}$K isotopes from N=29 to N=32. Spins and magnetic moments of the odd-K isotopes up to N=28 reveal an inversion of the ground-state, from the normal $\\,{I}$=3/2 ($\\pi{d}_{3/2}^{-1}$) in $^{41-45}$K$\\to\\,{I}$=1/2 ($\\pi{s}_{1/2}^{-1}$) in $^{47}$K. This inversion of the proton single particle levels is related to the strong proton $d_{3/2}$ - neutron $f_{7/2}$ interaction which lowers the energy of the $\\pi{d}_{3/2}$ single particle state when filling the $\
Study of polonium isotopes ground state properties by simultaneous atomic- and nuclear-spectroscopy
Koester, U H; Kalaninova, Z; Imai, N
2007-01-01
We propose to systematically study the ground state properties of neutron deficient $^{192-200}$Po isotopes by means of in-source laser spectroscopy using the ISOLDE laser ion source coupled with nuclear spectroscopy at the detection setup as successfully done before by this collaboration with neutron deficient lead isotopes. The study of the change in mean square charge radii along the polonium isotope chain will give an insight into shape coexistence above the mid-shell N = 104 and above the closed shell Z = 82. The hyperfine structure of the odd isotopes will also allow determination of the nuclear spin and the magnetic moment of the ground state and of any identifiable isomer state. For this study, a standard UC$_{x}$ target with the ISOLDE RILIS is required for 38 shifts.
International Nuclear Information System (INIS)
Fatollahi, Amir H.; Khorrami, Mohammad; Shariati, Ahmad; Aghamohammadi, Amir
2011-01-01
A complete classification is given for one-dimensional chains with nearest-neighbor interactions having two states in each site, for which a matrix product ground state exists. The Hamiltonians and their corresponding matrix product ground states are explicitly obtained.
Aaron, Jean-Jacques; Diabou Gaye, Mame; Párkányi, Cyril; Cho, Nam Sook; Von Szentpály, László
1987-01-01
The ground-state dipole moments of seven biologically important purines (purine, 6-chloropurine, 6-mercaptopurine, hypoxanthine, theobromine, theophylline and caffeine) were determined at 25°C in acetic acid (all the above compounds with the exception of purine) and in ethyl acetate (purine, theophylline and caffeine). Because of its low solubility, it was not possible to measure the dipole moment of uric acid. The first excited singlet-state dipole moments were obtained on the basis of the Bakhshiev and Chamma—Viallet equations using the variation of the Stokes shift with the solvent dielectric constant-refractive index term. The theoretical dipole moments for all the purines listed above and including uric acid were calculated by combining the use of the PPP (π-LCI-SCF-MO) method for the π-contribution to the overall dipole moment with the σ-contribution obtained as a vector sum of the σbond moments and group moments. The experimental and theoretical values were compared with the data available in the literature for some of the purines under study. For several purines, the calculations were carried out for different tautomeric forms. Excited singlet-state dipole moments are smaller than the ground-state values by 0.8 to 2.2 Debye units for all purines under study with the exception of 6-chloropurine. The effects of the structure upon the ground- and excited-state dipole moments of the purines are discussed.
Ground state properties of a spin chain within Heisenberg model with a single lacking spin site
International Nuclear Information System (INIS)
Mebrouki, M.
2011-01-01
The ground state and first excited state energies of an antiferromagnetic spin-1/2 chain with and without a single lacking spin site are computed using exact diagonalization method, within the Heisenberg model. In order to keep both parts of a spin chain with a lacking site connected, next nearest neighbors interactions are then introduced. Also, the Density Matrix Renormalization Group (DMRG) method is used, to investigate ground state energies of large system sizes; which permits us to inquire about the effect of large system sizes on energies. Other quantum quantities such as fidelity and correlation functions are also studied and compared in both cases. - Research highlights: → In this paper we compute ground state and first excited state energies of a spin chain with and without a lacking spin site. The next nearest neighbors are introduced with the antiferromagnetic Heisenberg spin-half. → Exact diagonalization is used for small systems, where DMRG method is used to compute energies for large systems. Other quantities like quantum fidelity and correlation are also computed. → Results are presented in figures with comments. → E 0 /N is computed in a function of N for several values of J 2 and for both systems. First excited energies are also investigated.
International Nuclear Information System (INIS)
Cubrovic, Mihailo; Liu Yan; Schalm, Koenraad; Sun Yawen; Zaanen, Jan
2011-01-01
We argue that the electron star and the anti-de Sitter (AdS) Dirac hair solution are two limits of the free charged Fermi gas in AdS. Spectral functions of holographic duals to probe fermions in the background of electron stars have a free parameter that quantifies the number of constituent fermions that make up the charge and energy density characterizing the electron star solution. The strict electron star limit takes this number to be infinite. The Dirac hair solution is the limit where this number is unity. This is evident in the behavior of the distribution of holographically dual Fermi surfaces. As we decrease the number of constituents in a fixed electron star background the number of Fermi surfaces also decreases. An improved holographic Fermi ground state should be a configuration that shares the qualitative properties of both limits.
Tunneling spectroscopy on semiconductors with a low surface state density
Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina
1997-01-01
A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...
Ground-state candidate for the classical dipolar kagome Ising antiferromagnet
Chioar, I. A.; Rougemaille, N.; Canals, B.
2016-06-01
We have investigated the low-temperature thermodynamic properties of the classical dipolar kagome Ising antiferromagnet using Monte Carlo simulations, in the quest for the ground-state manifold. In spite of the limitations of a single-spin-flip approach, we managed to identify certain ordering patterns in the low-temperature regime and we propose a candidate for this unknown state. This configuration presents some intriguing features and is fully compatible with the extrapolations of the at-equilibrium thermodynamic behavior sampled so far, making it a very likely choice for the dipolar long-range ordered state of the classical kagome Ising antiferromagnet.
Chain and ladder models with two-body interactions and analytical ground states
Manna, Sourav; Nielsen, Anne E. B.
2018-05-01
We consider a family of spin-1 /2 models with few-body, SU(2)-invariant Hamiltonians and analytical ground states related to the one-dimensional (1D) Haldane-Shastry wave function. The spins are placed on the surface of a cylinder, and the standard 1D Haldane-Shastry model is obtained by placing the spins with equal spacing in a circle around the cylinder. Here, we show that another interesting family of models with two-body exchange interactions is obtained if we instead place the spins along one or two lines parallel to the cylinder axis, giving rise to chain and ladder models, respectively. We can change the scale along the cylinder axis without changing the radius of the cylinder. This gives us a parameter that controls the ratio between the circumference of the cylinder and all other length scales in the system. We use Monte Carlo simulations and analytical investigations to study how this ratio affects the properties of the models. If the ratio is large, we find that the two legs of the ladder decouple into two chains that are in a critical phase with Haldane-Shastry-like properties. If the ratio is small, the wave function reduces to a product of singlets. In between, we find that the behavior of the correlations and the Renyi entropy depends on the distance considered. For small distances the behavior is critical, and for long distances the correlations decay exponentially and the entropy shows an area law behavior. The distance up to which there is critical behavior gets larger as the ratio increases.
Surface roughening of ground fused silica processed by atmospheric inductively coupled plasma
International Nuclear Information System (INIS)
Xin, Qiang; Li, Na; Wang, Jun; Wang, Bo; Li, Guo; Ding, Fei; Jin, Huiliang
2015-01-01
Highlights: • The morphology evolution of ground fused silica, processed by atmospheric plasma, was investigated experimentally. • The roughness development results from opening and coalescing of the plasma-etched cracks. • The shapes of grain-like etched pits are the results of the adjacent cracks coalescing with one another. • The descent of the pits density is due to some smaller etched pits that are swallowed up by larger pits. • Leading role in surface smoothing is laterally etching away the side walls of the intersecting pits. - Abstract: Subsurface damage (SSD) is a defect that is inevitably induced during mechanical processes, such as grinding and polishing. This defect dramatically reduces the mechanical strength and the laser damage thresholds of optical elements. Compared with traditional mechanical machining, atmospheric pressure plasma processing (APPP) is a relatively novel technology that induces almost no SSD during the processing of silica-based optical materials. In this paper, a form of APPP, inductively coupled plasma (ICP), is used to process fused silica substrates with fluorocarbon precursor under atmospheric pressure. The surface morphology evolution of ICP-processed substrates was observed and characterized by confocal laser scanning microscope (CLSM), field emission scanning electron microscope (SEM), and atomic force microscopy (AFM). The results show that the roughness evolves with the etching depth, and the roughness evolution is a single-peaked curve. This curve results from the opening and the coalescing of surface cracks and fractures. The coalescence procedure of these microstructures was simulated with two common etched pits on a polished fused silica surface. Understanding the roughness evolution of plasma-processed surface might be helpful in optimizing the optical fabrication chain that contains APPP
Surface roughening of ground fused silica processed by atmospheric inductively coupled plasma
Energy Technology Data Exchange (ETDEWEB)
Xin, Qiang; Li, Na; Wang, Jun; Wang, Bo, E-mail: bradywang@hit.edu.cn; Li, Guo; Ding, Fei; Jin, Huiliang
2015-06-30
Highlights: • The morphology evolution of ground fused silica, processed by atmospheric plasma, was investigated experimentally. • The roughness development results from opening and coalescing of the plasma-etched cracks. • The shapes of grain-like etched pits are the results of the adjacent cracks coalescing with one another. • The descent of the pits density is due to some smaller etched pits that are swallowed up by larger pits. • Leading role in surface smoothing is laterally etching away the side walls of the intersecting pits. - Abstract: Subsurface damage (SSD) is a defect that is inevitably induced during mechanical processes, such as grinding and polishing. This defect dramatically reduces the mechanical strength and the laser damage thresholds of optical elements. Compared with traditional mechanical machining, atmospheric pressure plasma processing (APPP) is a relatively novel technology that induces almost no SSD during the processing of silica-based optical materials. In this paper, a form of APPP, inductively coupled plasma (ICP), is used to process fused silica substrates with fluorocarbon precursor under atmospheric pressure. The surface morphology evolution of ICP-processed substrates was observed and characterized by confocal laser scanning microscope (CLSM), field emission scanning electron microscope (SEM), and atomic force microscopy (AFM). The results show that the roughness evolves with the etching depth, and the roughness evolution is a single-peaked curve. This curve results from the opening and the coalescing of surface cracks and fractures. The coalescence procedure of these microstructures was simulated with two common etched pits on a polished fused silica surface. Understanding the roughness evolution of plasma-processed surface might be helpful in optimizing the optical fabrication chain that contains APPP.
Energy Technology Data Exchange (ETDEWEB)
Machate, T.; Heuermann, E.; Schramm, K.W.; Kettrup, A.
1999-10-01
Contaminated ground water from a former coke plant site was purified in a free water surface (FWS) constructed wetland plant during a 3-mo short-term experiment. The pilot plant (total surface area 27 m{sup 2}) was filled with a 1 m thick lava-gravel substrate planted with cattail (Typha spp.) and bulrush (Scirpus lacustrls). Major contaminants were low to moderate concentrations of polycyclic aromatic hydrocarbons, BTEX, nitrate, and nitrite. The wetland was dosed at hydraulic loading rates of q{sub A} = 4.8 and 9.6 cm d{sup {minus}1} with a hydraulic residence time (HRT) of 13.7 and 6.8 d. The surface removal rates of PAH were between 98.8 and 1914 mg m{sup {minus}2} d{sup {minus}1}. Efficiency was always {gt}99%. Extraction of lava gravel showed that approx. 0.4% of the applied PAH were retained on the substratum. The ratio of {Sigma}2,3-ring PAH and {Sigma}4,5,6-ring PAH showed a shift from 1:0.11 in water to 1:2.5 in lava. The removal of BTEX was {gt}99%, but might be in part due to volatilization. The efficiency in the removal of nitrate was 91% and of nitrite was 97%. Purification performance was not influenced by hydraulic loading rates or after die-back of the macrophytes.
Surface-Atmosphere Moisture Interactions in the Frozen Ground Regions of Eurasia.
Ford, Trent W; Frauenfeld, Oliver W
2016-01-18
Climate models simulate an intensifying Arctic hydrologic cycle in response to climatic warming, however the role of surface-atmosphere interactions from degrading frozen ground is unclear in these projections. Using Modern-Era Retrospective Analysis for Research and Applications (MERRA) data in high-latitude Eurasia, we examine long-term variability in surface-atmosphere coupling as represented by the statistical relationship between surface evaporative fraction (EF) and afternoon precipitation. Changes in EF, precipitation, and their statistical association are then related to underlying permafrost type and snow cover. Results indicate significant positive trends in July EF in the Central Siberian Plateau, corresponding to significant increases in afternoon precipitation. The positive trends are only significant over continuous permafrost, with non-significant or negative EF and precipitation trends over isolated, sporadic, and discontinuous permafrost areas. Concurrently, increasing EF and subsequent precipitation are found to coincide with significant trends in May and June snowmelt, which potentially provides the moisture source for the observed enhanced latent heating and moisture recycling in the region. As climate change causes continuous permafrost to transition to discontinuous, discontinuous to sporadic, sporadic to isolated, and isolated permafrost disappears, this will also alter patterns of atmospheric convection, moisture recycling, and hence the hydrologic cycle in high-latitude land areas.
The warming trend of ground surface temperature in the Choshui Alluvial Fan, western central Taiwan
Chen, W.; Chang, M.; Chen, J.; Lu, W.; Huang, C. C.; Wang, Y.
2013-12-01
Heat storage in subsurface of the continents forms a fundamental component of the global energy budget and plays an important role in the climate system. Several researches revealed that subsurface temperatures were being increased to 1.8-2.8°C higher in mean ground surface temperature (GST) for some Asian cities where are experiencing a rapid growth of population. Taiwan is a subtropic-tropic island with densely populated in the coastal plains surrounding its mountains. We investigate the subsurface temperature distribution and the borehole temperature-depth profiles by using groundwater monitoring wells in years 2000 and 2010. Our data show that the western central Taiwan plain also has been experiencing a warming trend but with a higher temperatures approximately 3-4 °C of GST during the last 250 yrs. We suggest that the warming were mostly due to the land change to urbanization and agriculture. The current GSTs from our wells are approximately 25.51-26.79 °C which are higher than the current surface air temperature (SAT) of 23.65 °C. Data from Taiwan's weather stations also show 1-1.5 °C higher for the GST than the SAT at neighboring stations. The earth surface heat balance data indicate that GST higher than SAT is reasonable. More researches are needed to evaluate the interaction of GST and SAT, and how a warming GST's impact to the SAT and the climate system of the Earth.
Ground state structure of U2Mo: static and lattice dynamics study
International Nuclear Information System (INIS)
Mukherjee, D.; Sahoo, B.D.; Joshi, K.D.; Kaushik, T.C.
2016-01-01
According to experimental reports, the ground state stable structure of U 2 Mo is tetragonal. However, various theoretical studies performed in past do not get tetragonal phase as the stable structure at ambient conditions. Therefore, the ground state structure of U 2 Mo is still unresolved. In an attempt to understand the ground state properties of this system, we have carried out first principle electronic band structure calculations. The structural stability analysis carried out using evolutionary structure search algorithm in conjunction with ab-inito method shows that a hexagonal structure (space group P6/mmm) is the lowest enthalpy structure at ambient condition and remains stable upto 200 GPa. The elastic and lattice dynamical stability further supports the stability of this phase at ambient condition. Further, using the 0 K calculations in conjunction with finite temperature corrections, we have derived the isotherm and shock adiabat (Hugoniot) of this material. Various equilibrium properties such as ambient pressure volume, bulk modulus, pressure derivative of bulk modulus etc. are derived from equation of state. (author)
Patil, S K; Wari, M N; Panicker, C Yohannan; Inamdar, S R
2014-04-05
The absorption and fluorescence spectra of three medium sized dipolar laser dyes: coumarin 478 (C478), coumarin 519 (C519) and coumarin 523 (C523) have been recorded and studied comprehensively in various solvents at room temperature. The absorption and fluorescence spectra of C478, C519 and C523 show a bathochromic and hypsochromic shifts with increasing solvent polarity indicate that the transitions involved are π→π(∗) and n→π(∗). Onsager radii determined from ab initio calculations were used in the determination of dipole moments. The ground and excited state dipole moments were evaluated by using solvatochromic correlations. It is observed that the dipole moment values of excited states (μe) are higher than corresponding ground state values (μg) for the solvents studied. The ground and excited state dipole moments of these probes computed from ab initio calculations and those determined experimentally are compared and the results are discussed. Copyright © 2013 Elsevier B.V. All rights reserved.
Random interactions, isospin, and the ground states of odd-A and odd-odd nuclei
International Nuclear Information System (INIS)
Horoi, Mihai; Volya, Alexander; Zelevinsky, Vladimir
2002-01-01
It was recently shown that the ground state quantum numbers of even-even nuclei have a high probability to be reproduced by an ensemble of random but rotationally invariant two-body interactions. In the present work we extend these investigations to odd-A and odd-odd nuclei, considering in particular the isospin effects. Studying the realistic shell model as well as the single-j model, we show that random interactions have a tendency to assign the lowest possible total angular momentum and isospin to the ground state. In the sd shell model this reproduces correctly the isospin but not the spin quantum numbers of actual odd-odd nuclei. An odd-even staggering effect in probability of various ground state quantum numbers is present for even-even and odd-odd nuclei, while it is smeared out for odd-A nuclei. The observed regularities suggest the underlying mechanism of bosonlike pairing of fermionic pairs in T=0 and T=1 states generated by the off-diagonal matrix elements of random interactions. The relation to the models of random spin interactions is briefly discussed
Induced quadrupolar singlet ground state of praseodymium in a modulated pyrochlore
van Duijn, J.; Kim, K. H.; Hur, N.; Ruiz-Bustos, R.; Adroja, D. T.; Bridges, F.; Daoud-Aladine, A.; Fernandez-Alonso, F.; Wen, J. J.; Kearney, V.; Huang, Q. Z.; Cheong, S.-W.; Perring, T. G.; Broholm, C.
2017-09-01
The complex structure and magnetism of Pr2 -xBixRu2O7 was investigated by neutron scattering and extended x-ray absorption fine structure. Pr has an approximate doublet ground state and the first excited state is a singlet. While the B -site (Ru) is well ordered throughout, this is not the case for the A -site (Pr/Bi). A broadened distribution for the Pr-O2 bond length at low temperature indicates the Pr environment varies from site to site even for x =0 . The environment about the Bi site is highly disordered ostensibly due to the 6 s lone pairs on Bi3 +. Correspondingly, we find that the non-Kramers doublet ground-state degeneracy, otherwise anticipated for Pr in the pyrochlore structure, is lifted so as to produce a quadrupolar singlet ground state with a spatially varying energy gap. For x =0 , below TN, the Ru sublattice orders antiferromagnetically, with propagation vector k =(0 ,0 ,0 ) as for Y2Ru2O7 . No ordering associated with the Pr sublattice is observed down to 100 mK. The low-energy magnetic response of Pr2 -xBixRu2O7 features a broad spectrum of magnetic excitations associated with inhomogeneous splitting of the Pr quasidoublet ground state. For x =0 (x =0.97 ), the spectrum is temperature dependent (independent). It appears disorder associated with Bi alloying enhances the inhomogeneous Pr crystal-field level splitting so that intersite interactions become irrelevant for x =0.97 . The structural complexity for the A -site may be reflected in the hysteretic uniform magnetization of B -site ruthenium in the Néel phase.
International Nuclear Information System (INIS)
Navrotskaya-Rybarska, V.; Stoyanova, O.; Stoyanov, Ch.
1980-01-01
The influence of ground state correlations and of their coupling with the phonon amplitudes on the properties of the first collective states is investigated in some Sm isotopes. Equations for the eXcited state energies are derived using the variational principle. Formulae for the gap and quasiparticle energies are given. The numerical calculations are performed for sup(144-150)Sm. The energies of the 2 + - and 3 - - states and the B(E2) and B(E3) electric transition probability values are presented. The effects studied are shown to be small for sup(144-146)Sm but the collectivity of the 2sub(1)sup(+) and 3sub(1)sup(-) states decreases strongly for 150 Sm [ru
Golombek, M. P.; Haldemann, A. F.; Simpson, R. A.; Furgason, R. L.; Putzig, N. E.; Huertas, A.; Arvidson, R. E.; Heet, T.; Bell, J. F.; Mellon, M. T.; McEwen, A. S.
2008-12-01
Surface characteristics at the six sites where spacecraft have successfully landed on Mars can be related favorably to their signatures in remotely sensed data from orbit and from the Earth. Comparisons of the rock abundance, types and coverage of soils (and their physical properties), thermal inertia, albedo, and topographic slope all agree with orbital remote sensing estimates and show that the materials at the landing sites can be used as ground truth for the materials that make up most of the equatorial and mid- to moderately high-latitude regions of Mars. The six landing sites sample two of the three dominant global thermal inertia and albedo units that cover ~80% of the surface of Mars. The Viking, Spirit, Mars Pathfinder, and Phoenix landing sites are representative of the moderate to high thermal inertia and intermediate to high albedo unit that is dominated by crusty, cloddy, blocky or frozen soils (duricrust that may be layered) with various abundances of rocks and bright dust. The Opportunity landing site is representative of the moderate to high thermal inertia and low albedo surface unit that is relatively dust free and composed of dark eolian sand and/or increased abundance of rocks. Rock abundance derived from orbital thermal differencing techniques in the equatorial regions agrees with that determined from rock counts at the surface and varies from ~3-20% at the landing sites. The size-frequency distributions of rocks >1.5 m diameter fully resolvable in HiRISE images of the landing sites follow exponential models developed from lander measurements of smaller rocks and are continuous with these rock distributions indicating both are part of the same population. Interpretation of radar data confirms the presence of load bearing, relatively dense surfaces controlled by the soil type at the landing sites, regional rock populations from diffuse scattering similar to those observed directly at the sites, and root-mean-squared slopes that compare favorably
Kvaal, Simen; Helgaker, Trygve
2015-11-14
The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.
Sampling and analysis for radon-222 dissolved in ground water and surface water
DeWayne, Cecil L.; Gesell, T.F.
1992-01-01
Radon-222 is a naturally occurring radioactive gas in the uranium-238 decay series that has traditionally been called, simply, radon. The lung cancer risks associated with the inhalation of radon decay products have been well documented by epidemiological studies on populations of uranium miners. The realization that radon is a public health hazard has raised the need for sampling and analytical guidelines for field personnel. Several sampling and analytical methods are being used to document radon concentrations in ground water and surface water worldwide but no convenient, single set of guidelines is available. Three different sampling and analytical methods - bubbler, liquid scintillation, and field screening - are discussed in this paper. The bubbler and liquid scintillation methods have high accuracy and precision, and small analytical method detection limits of 0.2 and 10 pCi/l (picocuries per liter), respectively. The field screening method generally is used as a qualitative reconnaissance tool.
CSIR Research Space (South Africa)
de Clercq, L
2010-09-01
Full Text Available Coherent control of the upper vibrational level populations in the electronic ground state of a polyatomic molecule was simulated. Results indicate that selective excitation of a specific upper state level is possible...
Ground Boundary Conditions for Thermal Convection Over Horizontal Surfaces at High Rayleigh Numbers
Hanjalić, K.; Hrebtov, M.
2016-07-01
We present "wall functions" for treating the ground boundary conditions in the computation of thermal convection over horizontal surfaces at high Rayleigh numbers using coarse numerical grids. The functions are formulated for an algebraic-flux model closed by transport equations for the turbulence kinetic energy, its dissipation rate and scalar variance, but could also be applied to other turbulence models. The three-equation algebraic-flux model, solved in a T-RANS mode ("Transient" Reynolds-averaged Navier-Stokes, based on triple decomposition), was shown earlier to reproduce well a number of generic buoyancy-driven flows over heated surfaces, albeit by integrating equations up to the wall. Here we show that by using a set of wall functions satisfactory results are found for the ensemble-averaged properties even on a very coarse computational grid. This is illustrated by the computations of the time evolution of a penetrative mixed layer and Rayleigh-Bénard (open-ended, 4:4:1 domain) convection, using 10 × 10 × 100 and 10 × 10 × 20 grids, compared also with finer grids (e.g. 60 × 60 × 100), as well as with one-dimensional treatment using 1 × 1 × 100 and 1 × 1 × 20 nodes. The approach is deemed functional for simulations of a convective boundary layer and mesoscale atmospheric flows, and pollutant transport over realistic complex hilly terrain with heat islands, urban and natural canopies, for diurnal cycles, or subjected to other time and space variations in ground conditions and stratification.
State promotion and neutralization of ions near metal surface
International Nuclear Information System (INIS)
Zinoviev, A.N.
2011-01-01
Research highlights: → Multiply charged ion and the charge induced in the metal form a dipole. → Dipole states are promoted into continuum with decreasing ion-surface distance. → These states cross the states formed from metal atom. → Proposed model explains the dominant population of deep bound states. → Observed spectra of emitted Auger electrons prove this promotion model. -- Abstract: When a multiply charged ion with charge Z approaches the metal surface, a dipole is formed by the multiply charged ion and the charge induced in the metal. The states for such a dipole are promoted into continuum with decreasing ion-surface distance and cross the states formed from metal atom. The model proposed explains the dominant population of deep bound states in collisions considered.
International Nuclear Information System (INIS)
Molayem, M.; Tayebi-Rad, Gh.; Esmaeli, L.; Namiranian, A.; Fouladvand, M. E.; Neek-Amal, M.
2006-01-01
Using the diffusion quantum monte Carlo method, the ground state energy of an Hydrogen atom confined in a carbon nano tube and a C60 molecule is calculated. For Hydrogen atom confined in small diameter tubes, the ground state energy shows significant deviation from a free Hydrogen atom, while with increasing the diameter this deviation tends to zero.
Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan
2014-01-01
and showed different ground states. Based on variable-temperature NMR/ESR measurements and density functional theory calculations, it was found that the indolo[2,3-b]carbazole derivative 1 is a persistent singlet biradical in the ground state with a moderate
Spin-polarized ground state and exact quantization at ν=5/2
Pan, Wei
2002-03-01
The nature of the even-denominator fractional quantum Hall effect at ν=5/2 remains elusive, in particular, its ground state spin-polarization. An earlier, so-called "hollow core" model arrived at a spin-unpolarized wave function. The more recent calculations based on a model of BCS-like pairing of composite fermions, however, suggest that its ground state is spin-polarized. In this talk, I will first review the earlier experiments and then present our recent experimental results showing evidence for a spin-polarized state at ν=5/2. Our ultra-low temperature experiments on a high quality sample established the fully developed FQHE state at ν=5/2 as well as at ν=7/3 and 8/3, manifested by a vanishing R_xx and exact quantization of the Hall plateau. The tilted field experiments showed that the added in-plane magnetic fields not only destroyed the FQHE at ν=5/2, as seen before, but also induced an electrical anisotropy, which is now interpreted as a phase transition from a paired, spin-polarized ν=5/2 state to a stripe phase, not unlike the ones at ν=9/2, 11/2, etc in the N > 1 higher Landau levels. Furthermore, in the experiments on the heterojunction insulated-gate field-effect transistors (HIGFET) at dilution refrigerator temperatures, a strong R_xx minimum and a concomitant developing Hall plateau were observed at ν=5/2 in a magnetic field as high as 12.6 Tesla. This and the subsequent density dependent studies of its energy gap largely rule out a spin-singlet state and point quite convincingly towards a spin-polarized ground state at ν=5/2.
The influence of nonlocal hybridization on ground-state properties of the Falicov-Kimball model
International Nuclear Information System (INIS)
Farkasovsky, Pavol
2005-01-01
The density matrix renormalization group is used to examine effects of nonlocal hybridization on ground-state properties of the Falicov-Kimball model (FKM) in one dimension. Special attention is devoted to the problem of hybridization-induced insulator-metal transition. It is shown that the picture of insulator-metal transitions found for the FKM with nonlocal hybridization strongly differs from one found for the FKM without hybridization (as well as with local hybridization). The effect of nonlocal hybridization is so strong that it can induce the insulator-metal transition, even in the half-filled band case where the ground states of the FKM without hybridization are insulating for all finite Coulomb interactions. Outside the half-filled band case the metal-insulator transition driven by pressure is found for finite values of nonlocal hybridization
Ground state properties of new element Z=113 and its alpha decay chain
International Nuclear Information System (INIS)
Tai Fei; Chen Dinghan; Xu Chang; Ren Zhongzhou
2005-01-01
The authors investigate the ground state properties of the new element 278 113 and of the α-decay chain with different models, where the new element Z=113 has been produced at RIKEN in Japan by cold-fusion reaction. The experimental decay energies are reproduced by the deformed relativistic mean-field model, by the Skyrme-Hartree-Fock (SHF) model, and by the macroscopic-microscopic model. Theoretical half-lives also reasonably agree with the data. Calculations further show that prolate deformation is important for the ground states of the nuclei in the α-decay chain of 278 113. The common points and differences among different models are compared and discussed. (author)
The resonating group method three cluster approach to the ground state 9 Li nucleus structure
International Nuclear Information System (INIS)
Filippov, G.F.; Pozdnyakov, Yu.A.; Terenetsky, K.O.; Verbitsky, V.P.
1994-01-01
The three-cluster approach for light atomic nuclei is formulated in frame of the algebraic version of resonating group method. Overlap integral and Hamiltonian matrix elements on generating functions are obtained for 9 Li nucleus. All permissible by Pauli principle 9 Li different cluster nucleon permutations were taken into account in the calculations. The results obtained can be easily generalised on any three-cluster system up to 12 C. Matrix elements obtained in the work were used in the variational calculations of the ground state energetic and geometric 9 Li characteristics. It is shown that 9 Li ground state is not adequate to the shell model limit and has pronounced three-cluster structure. (author). 16 refs., 4 tab., 2 figs
Towards the measurement of the ground-state hyperfine splitting of antihydrogen
Energy Technology Data Exchange (ETDEWEB)
Juhasz, Bertalan, E-mail: bertalan.juhasz@oeaw.ac.at [Austrian Academy of Sciences, Stefan Meyer Institute for Subatomic Physics (Austria)
2012-12-15
The ASACUSA collaboration at the Antiproton Decelerator of CERN is planning to measure the ground-state hyperfine splitting of antihydrogen using an atomic beam line, which will consist of a superconducting cusp trap as a source of partially polarized antihydrogen atoms, a radiofrequency spin-flip cavity, a superconducting sextupole magnet as spin analyser, and an antihydrogen detector. This will be a measurement of the antiproton magnetic moment, and also a test of the CPT invariance. Monte Carlo simulations predict that the antihydrogen ground-state hyperfine splitting can be determined with a relative precision of better than {approx} 10{sup - 6}. The first preliminary measurements of the hyperfine transitions will start in 2011.
Green function iterative solution of ground state wave function for Yukawa potential
International Nuclear Information System (INIS)
Zhang Zhao
2003-01-01
The newly developed single trajectory quadrature method is applied to solve central potentials. First, based on the series expansion method an exact analytic solution of the ground state for Hulthen potential and an approximate solution for Yukawa potential are obtained respectively. Second, the newly developed iterative method based on Green function defined by quadratures along the single trajectory is applied to solve Yukawa potential using the Coulomb solution and Hulthen solution as the trial functions respectively. The results show that a more proper choice of the trial function will give a better convergence. To further improve the convergence the iterative method is combined with the variational method to solve the ground state wave function for Yukawa potential, using variational solutions of the Coulomb and Hulthen potentials as the trial functions. The results give much better convergence. Finally, the obtained critical screen coefficient is applied to discuss the dissociate temperature of J/ψ in high temperature QGP
International Nuclear Information System (INIS)
Farasat, M; Golzan, M M; Shojaei, S H R; Morini, F; Deleuze, M S
2016-01-01
The electronic structure, electron binding energy spectrum and (e, 2e) momentum distributions of aniline have been theoretically predicted at an electron impact energy of 1.500 keV on the basis of Born–Oppenheimer molecular dynamical simulations, in order to account for thermally induced nuclear motions in the initial electronic ground state. Most computed momentum profiles are rather insensitive to thermally induced alterations of the molecular structure, with the exception of the profiles corresponding to two ionization bands at electron binding energies comprised between ∼10.0 and ∼12.0 eV (band C) and between ∼16.5 and ∼20.0 eV (band G). These profiles are found to be strongly influenced by nuclear dynamics in the electronic ground state, especially in the low momentum region. The obtained results show that thermal averaging smears out most generally the spectral fingerprints that are induced by nitrogen inversion. (paper)
Brandow, B. H.
1986-01-01
A variational study of ground states of the orbitally nondegenerate Anderson lattice model, using a wave function with one variational parameter per Bloch state k, has been extended to deal with essentially metallic systems having a nonintegral number of electrons per site. Quasiparticle excitations are obtained by direct appeal to Landau's original definition for interacting Fermi liquids, scrEqp(k,σ)=δEtotal/δn qp(k,σ). This approach provides a simple and explicit realization of the Luttinger picture of a periodic Fermi liquid. A close correspondence is maintained between the ``interacting'' (U=∞) system and the corresponding ``noninteracting'' (U=0) case, i.e., ordinary band theory; the result can be described as a renormalized band or renormalized hybridization theory. The occupation-number distribution for the conduction orbitals displays a finite discontinuity at the Fermi surface. If the d-f hybridization is nonzero throughout the Brillouin zone, the quasiparticle spectrum will always exhibit a gap, although this gap becomes exponentially small (i.e., of order TK) in the Kondo-lattice regime. In the ``ionic'' case with precisely two electrons per site, such a system may therefore exhibit an insulating (semiconducting) gap. The quasiparticle state density exhibits a prominent spike on each side of the spectral gap, just as in the elementary hybridization model (the U=0 case). For the metallic case, with a nonintegral number of electrons per site, the Fermi level falls within one of the two sharp density peaks. The effective mass at the Fermi surface tends to be very large; enhancements by a factor >~102 are quite feasible. The foregoing variational theory has also been refined by means of a trial wave function having two variational parameters per Bloch state k. The above qualitative features are all retained, with some quantitative differences, but there are also some qualitatively new features. The most interesting of these is the appearance, within
International Nuclear Information System (INIS)
Desplanques, B.
1989-12-01
The concept of nucleon in nuclei has often been referred to in recent literature. What it is used for is rarely precised however. In this paper, it is shown (or reminded) that the nucleon in nuclei is a model dependent object. As an illustration, it is shown that nuclear matter in its ground state may be described to a good approximation, if not exactly, by an independent particle state and that the on-shell G-matrix used in calculating its binding energy gets its effective character from that of those particles. The expression of these particles in terms of free nucleon operators is given
Detection of induced seismicity effects on ground surface using data from Sentinel 1A/1B satellites
Milczarek, W.
2017-12-01
Induced seismicity is the result of human activity and manifests itself in the form of shock and vibration of the ground surface. One of the most common factors causing the occurrence of induced shocks is underground mining activity. Sufficiently strong high-energy shocks may cause displacements of the ground surface. This type of shocks can have a significant impact on buildings and infrastructure. Assessment of the size and influence of induced seismicity on the ground surface is one of the major problems associated with mining activity. In Poland (Central Eastern Europe) induced seismicity occurs in the area of hard coal mining in the Upper Silesian Coal Basin and in the area of the Legnica - Głogów Copper Basin.The study presents an assessment of the use of satellite radar data (SAR) for the detection influence of induced seismicity in mining regions. Selected induced shocks from the period 2015- 2017 which occurred in the Upper Silesian Coal Basin and the Legnica - Głogów Copper Basin areas have been analyzed. In the calculations SAR data from the Sentinel 1A and Sentinel 1B satellites have been used. The results indicate the possibility of quickly and accurate detection of ground surface displacements after an induced shock. The results of SAR data processing were compared with the results from geodetic measurements. It has been shown that SAR data can be used to detect ground surface displacements on the relative small regions.
Koningsveld, Ernst; van der Grinten, Maarten; van der Molen, Henk; Krause, Frank
2005-07-01
Ground surface conditions on construction sites have an important influence on the health and safety of workers and their productivity. The development of an expert-based "working conditions evaluation" system is described, intended to assist site managers in recognising unsatisfactory ground conditions and remedying these. The system was evaluated in the period 2002-2003. The evaluation shows that companies recognize poor soil/ground conditions as problematic, but are not aware of the specific physical workload hazards. The developed methods allow assessment of the ground surface quality and selection of appropriate measures for improvement. However, barriers exist at present to wide implementation of the system across the industry. Most significant of these is that responsibility for a site's condition is not clearly located within contracting arrangements, nor is it a topic of serious negotiation.
Application of Stochastic variational method with correlated Ground States to coulombic systems
Energy Technology Data Exchange (ETDEWEB)
Usukura, Junko; Suzuki, Yasuyuki [Niigata Univ. (Japan); Varga, K.
1998-07-01
Positronium molecule, Ps{sub 2} has not been found experimentally yet, and it has been believed theoretically that Ps{sub 2} has only one bound state with L = 0. We predicted the existence of new bound state of Ps{sub 2}, which is the excited state with L = 1 and comes from Pauli principle, by Stochastic variational method. There are two decay mode with respect to Ps{sub 2}(P); one is pair annihilation and another is electric dipole (E1) transition to the ground state. While it is difficult to tell {gamma}-ray caused by annihilation of Ps{sub 2} from that of Ps since both of them have same energy, Energy (4.94 eV) of the photon emitted in E1 transition is specific enough to distinguish from other spectra. Then the excited state is one of clues to observe Ps{sub 2}. (author)
The properties of 4'-N,N-dimethylaminoflavonol in the ground and excited states
Moroz, V. V.; Chalyi, A. G.; Roshal, A. D.
2008-09-01
The mechanism of protonation of 4-N,N-dimethylaminoflavonol and the structure of its protolytic forms in the ground and excited states were studied by electron absorption and fluorescence (steady-state and time-resolved) spectroscopy and with the use of the RM1 quantum-chemical method. A comparison of equilibrium constants and the theoretical enthalpies of formation showed that excitation should be accompanied by the inversion of the basicity of the electron acceptor groups of this compound and, as a consequence, changes in the structure of its monocationic form. An analysis of the spectral parameters of the protolytic 4-N,N-dimethylaminoflavonol forms, however, showed that their structure and the sequence of protonation in the excited state were the same as in the ground state. Changes in the structure of the monocation in the excited state were not observed because of the fast radiationless deactivation of this form and the occurrence of excited state intramolecular proton transfer in aprotic solvents.
Prospects for studies of ground-state proton decays with the Holifield Radioactive Ion Beam Facility
International Nuclear Information System (INIS)
Toth, K.S.
1994-01-01
By using radioactive ions from the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory it should be possible to identify many new ground-state proton emitters in the mass region from Sn to Pb. During this production and search process the limits of stability on the proton-rich side of the nuclidic chart will be delineated for a significant fraction of medium-weight elements and our understanding of the proton-emission process will be expanded and improved
Ground-state triply and doubly heavy baryons in a relativistic three-quark model
International Nuclear Information System (INIS)
Martynenko, A.P.
2008-01-01
Mass spectra of the ground-state baryons consisting of three or two heavy (b or c) and one light (u,d,s) quarks are calculated in the framework of the relativistic quark model and the hyperspherical expansion. The predictions of masses of the triply and doubly heavy baryons are obtained by employing the perturbation theory for the spin-independent and spin-dependent parts of the three-quark Hamiltonian
On the ground state and infrared divergences of Goldstone bosons in two dimensions
International Nuclear Information System (INIS)
Jevicki, A.
1977-01-01
The O(N) invariant Goldstone field theory is studied in two dimensions where rigorous theorems forbid the occurrence of spontaneous symmetry breaking. It is agreed that for computation of the ground state energy at weak coupling it is still the standard Goldstone perturbation expansion that is applicable. This happens due to cancellation of infrared divergences and this fact is demonstrated explicitly at the two-loop level. (Auth.)
Ground state representation of the infinite one-dimensional Heisenberg ferromagnet. Pt. 2
International Nuclear Information System (INIS)
Babbitt, D.; Thomas, L.
1977-01-01
In its ground state representation, the infinite, spin 1/2 Heisenberg chain provides a model for spin wave scattering, which entails many features of the quantum mechanical N-body problem. Here, we give a complete eigenfunction expansion for the Hamiltonian of the chain in this representation, for all numbers of spin waves. Our results resolve the questions of completeness and orthogonality of the eigenfunctions given by Bethe for finite chains, in the infinite volume limit. (orig.) [de
Potential energy curve of Be2 in its ground electronic state
Czech Academy of Sciences Publication Activity Database
Špirko, Vladimír
2006-01-01
Roč. 235, č. 2 (2006), s. 268-270 ISSN 0022-2852 R&D Projects: GA AV ČR(CZ) IAA400550511 Institutional research plan: CEZ:AV0Z40550506 Keywords : ground electronic state of Be2 * MR-CI ab initio potentials * reduced potential curves Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.260, year: 2006
Hydrogen-like atom in laser field: Invariant atomic parameters in the ground state
International Nuclear Information System (INIS)
Bondarev, I.V.; Kuten, S.A.
1994-07-01
The invariant atomic parameters (dynamical vector and tensor polarizabilities) of hydrogen-like atom in the ground 1S 1/2 state are calculated analytically by means of the Laplace transform of the radial Schroedinger equation. The obtained analytical expressions have been written in the compact form as a sum of linear and squared combinations of Gauss hypergeometric functions 2 F 1 . The frequency dependence of the invariant atomic parameters is analyzed. (author). 24 refs, 1 fig
International Nuclear Information System (INIS)
Radozycki, T.
1990-01-01
The properties of the virtual cloud around the hydrogen atom in the ground state are studied with the use of quantum field theory methods. The relativistic expression for the electromagnetic energy density around the atom, with the electron spin taken into account, is obtained. The distribution of the angular momentum contained in the cloud and the self-interaction kernel for the electrons bound in atom are also investigated. (author)
Ground-state projection multigrid for propagators in 4-dimensional SU(2) gauge fields
International Nuclear Information System (INIS)
Kalkreuter, T.
1991-09-01
The ground-state projection multigrid method is studied for computations of slowly decaying bosonic propagators in 4-dimensional SU(2) lattice gauge theory. The defining eigenvalue equation for the restriction operator is solved exactly. Although the critical exponent z is not reduced in nontrivial gauge fields, multigrid still yields considerable speedup compared with conventional relaxation. Multigrid is also able to outperform the conjugate gradient algorithm. (orig.)
Penn State University ground software support for X-ray missions.
Townsley, L. K.; Nousek, J. A.; Corbet, R. H. D.
1995-03-01
The X-ray group at Penn State is charged with two software development efforts in support of X-ray satellite missions. As part of the ACIS instrument team for AXAF, the authors are developing part of the ground software to support the instrument's calibration. They are also designing a translation program for Ginga data, to change it from the non-standard FRF format, which closely parallels the original telemetry format, to FITS.
Ground State of the Universe and the Cosmological Constant. A Nonperturbative Analysis.
Husain, Viqar; Qureshi, Babar
2016-02-12
The physical Hamiltonian of a gravity-matter system depends on the choice of time, with the vacuum naturally identified as its ground state. We study the expanding Universe with scalar field in the volume time gauge. We show that the vacuum energy density computed from the resulting Hamiltonian is a nonlinear function of the cosmological constant and time. This result provides a new perspective on the relation between time, the cosmological constant, and vacuum energy.
Stable π-Extended p -Quinodimethanes: Synthesis and Tunable Ground States
Zeng, Zebing
2014-12-18
© 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. p-Quinodimethane (p-QDM) is a highly reactive hydrocarbon showing large biradical character in the ground state. It has been demonstrated that incorporation of the p-QDM moiety into an aromatic hydrocarbon framework could lead to new π-conjugated systems with significant biradical character and unique optical, electronic and magnetic properties. On the other hand, the extension of p-QDM is expected to result in molecules with even larger biradical character and higher reactivity. Therefore, the synthesis of stable π-extended p-QDMs is very challenging. In this Personal Account we will briefly discuss different stabilizing strategies and synthetic methods towards stable π-extended p-QDMs with tunable ground states and physical properties, including two types of polycyclic hydrocarbons: (1) tetrabenzo-Tschitschibabin\\'s hydrocarbons, and (2) tetracyano-rylenequinodimethanes. We will discuss how the aromaticity, substituents and steric hindrance play important roles in determining their ground states and properties. Incorporation of the p-quinodimethane moiety into aromatic hydrocarbon frameworks can lead to new π-conjugated systems with significant biradical character and unique optical, electronic and magnetic properties. Furthermore, the extension of p-QDM is expected to result in molecules with even larger biradical character and higher reactivity. In this Personal Account, different stabilizing strategies and synthetic methods towards stable π-extended p-QDMs with tunable ground states and physical properties are briefly discussed, including the roles of aromaticity, substituents and steric hindrance.
Ground and surface water for drinking: a laboratory study on genotoxicity using plant tests
Directory of Open Access Journals (Sweden)
Donatella Feretti
2012-02-01
Full Text Available Surface waters are increasingly utilized for drinking water because groundwater sources are often polluted. Several monitoring studies have detected the presence of mutagenicity in drinking water, especially from surface sources due to the reaction of natural organic matter with disinfectant. The study aimed to investigate the genotoxic potential of the products of reaction between humic substances, which are naturally present in surface water, and three disinfectants: chlorine dioxide, sodium hypochlorite and peracetic acid. Commercial humic acids dissolved in distilled water at different total organic carbon (TOC concentrations were studied in order to simulate natural conditions of both ground water (TOC=2.5 mg/L and surface water (TOC=7.5 mg/L. These solutions were treated with the biocides at a 1:1 molar ratio of C:disinfectant and tested for genotoxicity using the anaphase chromosomal aberration and micronucleus tests in Allium cepa, and the Vicia faba and Tradescantia micronucleus tests. The tests were carried out after different times and with different modes of exposure, and at 1:1 and 1:10 dilutions of disinfected and undisinfected humic acid solutions. A genotoxic effect was found for sodium hypochlorite in all plant tests, at both TOCs considered, while chlorine dioxide gave positive results only with the A.cepa tests. Some positive effects were also detected for PAA (A.cepa and Tradescantia. No relevant differences were found in samples with different TOC values. The significant increase in all genotoxicity end-points induced by all tested disinfectants indicates that a genotoxic potential is exerted even in the presence of organic substances at similar concentrations to those frequently present in drinking water.
Determination of barium in surface and ground waters at Centro Experimental Aramar area
Energy Technology Data Exchange (ETDEWEB)
Matoso, Erika, E-mail: ematoso@hotmail.com [Centro Tecnologico da Marinha em Sao Paulo (CEA/CTMS), Ipero, SP (Brazil). Centro Experimental Aramar; Cadore, Solange, E-mail: cadore@iqm.unicamp.br [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Instituto de Quimica. Departamento de Quimica Analica
2015-07-01
Barium can be found in waters up to 1 mg L{sup -1} and came from natural sources such as sedimentary rocks erosion rich in feldspar and barite. Also anthropogenic activities can release this element such as oil and gas industry, agricultural defensives, chemical industry and waste disposal. At high doses, barium can be harmful to human central nervous system and can also cause high blood pressure, heart problems, fatigue and anxiety. The water potability defined by Brazilian's Ministry of Healthy sets barium concentration up to 0.7 mg L{sup -1} and official regulation defines the same limit of this element to superficial waters (according CONAMA resolution 357/2005) and ground waters (Sao Paulo state regulation). In this work, barium was analyzed monthly in superficial waters from 4 different sampling locations, located in a ratio of 10-km-long from Centro Experimental Aramar (CEA) at Ipanema River, during one year, in order to evaluate the river in different conditions (seasons, temperature and rain period). The ground water was collected every six months. The analytical technique applied was ICP OES and the method conditions were optimized: wavelength, linearity, signal background ratio, detection and quantification limits. Data obtained in this work will contribute to evaluate the presence of barium at CEA region and nearby in order to compare it with current Brazilian regulations. (author)
Determination of barium in surface and ground waters at Centro Experimental Aramar area
International Nuclear Information System (INIS)
Matoso, Erika; Cadore, Solange
2015-01-01
Barium can be found in waters up to 1 mg L -1 and came from natural sources such as sedimentary rocks erosion rich in feldspar and barite. Also anthropogenic activities can release this element such as oil and gas industry, agricultural defensives, chemical industry and waste disposal. At high doses, barium can be harmful to human central nervous system and can also cause high blood pressure, heart problems, fatigue and anxiety. The water potability defined by Brazilian's Ministry of Healthy sets barium concentration up to 0.7 mg L -1 and official regulation defines the same limit of this element to superficial waters (according CONAMA resolution 357/2005) and ground waters (Sao Paulo state regulation). In this work, barium was analyzed monthly in superficial waters from 4 different sampling locations, located in a ratio of 10-km-long from Centro Experimental Aramar (CEA) at Ipanema River, during one year, in order to evaluate the river in different conditions (seasons, temperature and rain period). The ground water was collected every six months. The analytical technique applied was ICP OES and the method conditions were optimized: wavelength, linearity, signal background ratio, detection and quantification limits. Data obtained in this work will contribute to evaluate the presence of barium at CEA region and nearby in order to compare it with current Brazilian regulations. (author)
Exact ground state of finite Bose-Einstein condensates on a ring
International Nuclear Information System (INIS)
Sakmann, Kaspar; Streltsov, Alexej I.; Alon, Ofir E.; Cederbaum, Lorenz S.
2005-01-01
The exact ground state of the many-body Schroedinger equation for N bosons on a one-dimensional ring interacting via a pairwise δ-function interaction is presented for up to 50 particles. The solutions are obtained by solving Lieb and Liniger's system of coupled transcendental equations numerically for finite N. The ground-state energies for repulsive and attractive interactions are shown to be smoothly connected at the point of zero interaction strength, implying that the Bethe ansatz can be used also for attractive interactions for all cases studied. For repulsive interactions the exact energies are compared to (i) Lieb and Liniger's thermodynamic limit solution and (ii) the Tonks-Girardeau gas limit. It is found that the energy of the thermodynamic limit solution can differ substantially from that of the exact solution for finite N when the interaction is weak or when N is small. A simple relation between the Tonks-Girardeau gas limit and the solution for finite interaction strength is revealed. For attractive interactions we find that the true ground-state energy is given to a good approximation by the energy of the system of N attractive bosons on an infinite line, provided the interaction is stronger than the critical interaction strength of mean-field theory
Ground beetles (Coleoptera, Carabidae of the Hanford Nuclear Site in south-central Washington State
Directory of Open Access Journals (Sweden)
Chris Looney
2014-04-01
Full Text Available In this paper we report on ground beetles (Coleoptera: Carabidae collected from the Hanford Nuclear Reservation and Hanford National Monument (together the Hanford Site, which is located in south-central Washington State. The Site is a relatively undisturbed relict of the shrub-steppe habitat present throughout much of the western Columbia Basin before the westward expansion of the United States. Species, localities, months of capture, and capture method are reported for field work conducted between 1994 and 2002. Most species were collected using pitfall traps, although other capture methods were employed. Trapping results indicate the Hanford Site supports a diverse ground beetle community, with over 90% of the 92 species captured native to North America. Four species collected during the study period are newly recorded for Washington State: Bembidion diligens Casey, Calosoma obsoletum Say, Pseudaptinus rufulus (LeConte, and Stenolophus lineola (Fabricius. Based on these data, the Site maintains a diverse ground beetle fauna and, due to its size and diversity of habitats, is an important repository of shrub-steppe biodiversity.
Emergent Ising degrees of freedom above a double-stripe magnetic ground state
Zhang, Guanghua; Flint, Rebecca
2017-12-01
Double-stripe magnetism [Q =(π /2 ,π /2 )] has been proposed as the magnetic ground state for both the iron-telluride and BaTi2Sb2O families of superconductors. Double-stripe order is captured within a J1-J2-J3 Heisenberg model in the regime J3≫J2≫J1 . Intriguingly, besides breaking spin-rotational symmetry, the ground-state manifold has three additional Ising degrees of freedom associated with bond ordering. Via their coupling to the lattice, they give rise to an orthorhombic distortion and to two nonuniform lattice distortions with wave vector (π ,π ) . Because the ground state is fourfold degenerate, modulo rotations in spin space, only two of these Ising bond order parameters are independent. Here, we introduce an effective field theory to treat all Ising order parameters, as well as magnetic order, and solve it within a large-N limit. All three transitions, corresponding to the condensations of two Ising bond order parameters and one magnetic order parameter are simultaneous and first order in three dimensions, but lower dimensionality, or equivalently weaker interlayer coupling, and weaker magnetoelastic coupling can split the three transitions, and in some cases allows for two separate Ising phase transitions above the magnetic one.
International Nuclear Information System (INIS)
Litehiser, J.; Carrato, P.
2005-01-01
For the first time in decades several US utilities are exploring the possibility of building new Nuclear Power Plant (NPP) generating capacity in the Central and Eastern United States (CEUS). Among the many topics that must be considered to license a nuclear plant (NPP) is appropriate design to mitigate the potential effects of vibratory ground motion from earthquakes. Agreement on seismic design ground motion was not always easy during licensing of the last generation of NPPs. Therefore, over the last few decades both industry and the United States Nuclear Regulatory Commission (USNRC) have worked to find ground motion criteria that recognize and overcome earlier licensing difficulties. Such criteria should be stable and easily implemented. Important and complementary programs under the direction of the Lawrence Livermore National Laboratory (LLNL) and the Electric Power Research Institute (EPRI) were part of this effort, and these studies resulted in probabilistic seismic hazard assessments (PSHAs) for a number of CEUS NPP sites. These results and the concepts underlying them are now incorporated into both USNRC regulation and regulatory guidance. Nevertheless, as the utilities and the NRC begin a renewed licensing dialog, issues of regulatory interpretation of earthquake ground motion design criteria have emerged. These issues are as fundamental as the shape and amplitude of ground motion design response spectra and as significant as the impact of these spectra on structural design. Successful and timely resolution of these issues will significantly impact the future of nuclear power in the US. The purpose of this paper is to briefly describe some of these issues and the approaches that have been proposed for their resolution. (authors)
Application of the random phase approximation to some atoms with ns2 ground state configurations
International Nuclear Information System (INIS)
Wright, L.A.
1975-01-01
Atomic bound state properties such as excitation energies and oscillator strengths were calculated by the Random Phase Approximation (RPA), also known as the Time Dependent Hartree-Fock Approximation (TDHFA). The RPA is equivalent to describing excited states as the creation of particle-hole pairs and the application to atoms is important for two reasons: the wide range of densities in an atom will cause the physical interpretation and mathematical approximations to be much different than with a uniform density system, such as an electron gas; this method could detect the existence of collective states in atoms similar to those responsible for the giant dipole resonances in nuclei. The method is shown to be superior to the H-F method in three basic ways: (1) The RPA contains explicit correlations between the excited and ground states. These are not included in the H-F theory. One can apply this method to large atoms since only these correlations are explicitly included. (2) The RPA calculates excitation energies directly without recourse to highly correlated ground state wavefunctions. This is in contrast to the method of configuration mixing which is known to have slow convergence properties. (3) Oscillator strengths and photoionization cross sections can be calculated by finding the eigenvectors corresponding excitation energy eigenvalues. The strength of the RPA is that the excitation energies and oscillator strengths, which are relative quantities, are calculated directly. The results for the oscillator strengths show an improvement of up to 45 percent over the H-F values and an improvement over the RPA done with Hartree wavefunctions by as much as 65 percent. The work was limited to atoms with an ns 2 ground state configuration. These atoms were He, Be, Mg and Ca
Leahy, P. Patrick
1985-01-01
New Jersey is the most densely populated and one of the most industrialized states in the United States. An abundance of freshwater and proximity to major northeastern metropolitan centers has facilitated this development. Pumpage of freshwater from all aquifers in the State in 1980 was 730 million gallons per day (2.76 million cubic meters per day).Management and efficient development of the ground-water resources of the State are the responsibility of the New Jersey Department of Environmental Protection. Laws have been enacted and updated by the State legislature to manage water allocation and to control the disposal of hazardous wastes. Present resource management is guided by the New Jersey Water-Supply Master Plan of 1981. Funding for management activities is partially derived from the sale of state-approved bonds.Effective planning and regional management require accurate and up-to-date hydrologic information and analyses. The U.S. Geological Survey, in cooperation with the New Jersey Geological Survey, is conducting three intensive ground-water studies involving the collection and interpretation of hydrologic data to meet the urgent water-management needs of New Jersey. These studies are part of a long-term cooperative program and are funded through the Water-Supply Bond Act of 1981. They began in 1983 and are scheduled to be completed in 1988.The project areas are situated in the New Jersey part of the Atlantic Coastal Plain in and near Atlantic City, Camden, and South River. They range in size from 400 to 1,200 mil (1,040 to 3,120 km2). The studies are designed to define the geology, hydrology, and geochemistry of the local ground-water systems. The results of these studies will enable the State to address more effectively major problems in these areas such as declining water levels, overpumping, saltwater intrusion, and ground-water contamination resulting from the improper disposal of hazardous wastes.Specific objectives of these studies by the U
Frequency dependent polarizabilities for the ground state of H2, HD, and D2
International Nuclear Information System (INIS)
Rychlewski, J.
1983-01-01
A variation-perturbation method has been employed to calculate the dynamic dipole polarizability for the ground state of the hydrogen molecule. The explicit correlated electronic wave functions were used. The averaged values of α(#betta#) and #betta#(#betta#) for several vibration-rotation states of HD and D 2 are presented. Similar values for H 2 have also been calculated and were used to test the efficiency of the method and the validity of the assumption applied in the present calculation. The agreement of the present theoretical results with the existing experimental data is found to be satisfactory
Ground-based thermal imaging of stream surface temperatures: Technique and evaluation
Bonar, Scott A.; Petre, Sally J.
2015-01-01
We evaluated a ground-based handheld thermal imaging system for measuring water temperatures using data from eight southwestern USA streams and rivers. We found handheld thermal imagers could provide considerably more spatial information on water temperature (for our unit one image = 19,600 individual temperature measurements) than traditional methods could supply without a prohibitive amount of effort. Furthermore, they could provide measurements of stream surface temperature almost instantaneously compared with most traditional handheld thermometers (e.g., >20 s/reading). Spatial temperature analysis is important for measurement of subtle temperature differences across waterways, and identification of warm and cold groundwater inputs. Handheld thermal imaging is less expensive and equipment intensive than airborne thermal imaging methods and is useful under riparian canopies. Disadvantages of handheld thermal imagers include their current higher expense than thermometers, their susceptibility to interference when used incorrectly, and their slightly lower accuracy than traditional temperature measurement methods. Thermal imagers can only measure surface temperature, but this usually corresponds to subsurface temperatures in well-mixed streams and rivers. Using thermal imaging in select applications, such as where spatial investigations of water temperature are needed, or in conjunction with stationary temperature data loggers or handheld electronic or liquid-in-glass thermometers to characterize stream temperatures by both time and space, could provide valuable information on stream temperature dynamics. These tools will become increasingly important to fisheries biologists as costs continue to decline.
Energy Technology Data Exchange (ETDEWEB)
Harrington, B J; Shepard, H K [New Hampshire Univ., Durham (USA). Dept. of Physics
1976-03-22
By fully exploiting the mathematical and physical analogy to the Ginzburg-Landau theory of superconductivity, a complete discussion of the ground state behavior of the four-dimensional Abelian Higgs model in the static tree level approximation is presented. It is shown that a sufficiently strong external magnetic field can alter the ground state of the theory by restoring a spontaneously broken symmetry, or by creating a qualitatively different 'vortex' state. The energetically favored ground state is explicitly determined as a function of the external field and the ratio between coupling constants of the theory.
Kolmann, Stephen J.; Jordan, Meredith J. T.
2010-02-01
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol-1 at the CCSD(T)/6-31G∗ level of theory, has a 4 kJ mol-1 dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol-1 lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol-1 lower in energy at the CCSD(T)/6-31G∗ level of theory. Ideally, for sub-kJ mol-1 thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
Kolmann, Stephen J; Jordan, Meredith J T
2010-02-07
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
Studies of photoionization processes from ground-state and excited-state atoms and molecules
International Nuclear Information System (INIS)
Ederer, D.L.; Parr, A.C.; West, J.B.
1982-01-01
Recent triply-differential photoelectron spectroscopy experiments designed for the study of correlation effects in atoms and molecules are described. Final-state symmetry of the n=2 state of helium has been determined. The non-Franck-Condon behavior of vibrational branching ratios and large variations of the angular asymmetry parameter has been observed for shape resonances and autoionizing resonances in CO and other molecules. Recent observations of the photoionization of excited sodium atoms are also described
Quantifying confidence in density functional theory predictions of magnetic ground states
Houchins, Gregory; Viswanathan, Venkatasubramanian
2017-10-01
Density functional theory (DFT) simulations, at the generalized gradient approximation (GGA) level, are being routinely used for material discovery based on high-throughput descriptor-based searches. The success of descriptor-based material design relies on eliminating bad candidates and keeping good candidates for further investigation. While DFT has been widely successfully for the former, oftentimes good candidates are lost due to the uncertainty associated with the DFT-predicted material properties. Uncertainty associated with DFT predictions has gained prominence and has led to the development of exchange correlation functionals that have built-in error estimation capability. In this work, we demonstrate the use of built-in error estimation capabilities within the BEEF-vdW exchange correlation functional for quantifying the uncertainty associated with the magnetic ground state of solids. We demonstrate this approach by calculating the uncertainty estimate for the energy difference between the different magnetic states of solids and compare them against a range of GGA exchange correlation functionals as is done in many first-principles calculations of materials. We show that this estimate reasonably bounds the range of values obtained with the different GGA functionals. The estimate is determined as a postprocessing step and thus provides a computationally robust and systematic approach to estimating uncertainty associated with predictions of magnetic ground states. We define a confidence value (c-value) that incorporates all calculated magnetic states in order to quantify the concurrence of the prediction at the GGA level and argue that predictions of magnetic ground states from GGA level DFT is incomplete without an accompanying c-value. We demonstrate the utility of this method using a case study of Li-ion and Na-ion cathode materials and the c-value metric correctly identifies that GGA-level DFT will have low predictability for NaFePO4F . Further, there
Fahrenbach, Albert C; Bruns, Carson J; Cao, Dennis; Stoddart, J Fraser
2012-09-18
Fashioned through billions of years of evolution, biological molecular machines, such as ATP synthase, myosin, and kinesin, use the intricate relative motions of their components to drive some of life's most essential processes. Having control over the motions in molecules is imperative for life to function, and many chemists have designed, synthesized, and investigated artificial molecular systems that also express controllable motions within molecules. Using bistable mechanically interlocked molecules (MIMs), based on donor-acceptor recognition motifs, we have sought to imitate the sophisticated nanoscale machines present in living systems. In this Account, we analyze the thermodynamic characteristics of a series of redox-switchable [2]rotaxanes and [2]catenanes. Control and understanding of the relative intramolecular movements of components in MIMs have been vital in the development of a variety of applications of these compounds ranging from molecular electronic devices to drug delivery systems. These bistable donor-acceptor MIMs undergo redox-activated switching between two isomeric states. Under ambient conditions, the dominant translational isomer, the ground-state coconformation (GSCC), is in equilibrium with the less favored translational isomer, the metastable-state coconformation (MSCC). By manipulating the redox state of the recognition site associated with the GSCC, we can stimulate the relative movements of the components in these bistable MIMs. The thermodynamic parameters of model host-guest complexes provide a good starting point to rationalize the ratio of GSCC to MSCC at equilibrium. The bistable [2]rotaxanes show a strong correlation between the relative free energies of model complexes and the ground-state distribution constants (K(GS)). This relationship does not always hold for bistable [2]catenanes, most likely because of the additional steric and electronic constraints present when the two rings are mechanically interlocked with each other
International Nuclear Information System (INIS)
1996-01-01
Three levels of screening for the atmospheric transport pathways and two levels for surface water are presented. The ground has only one screening level. Level 1 is the simplest approach and incorporates a high degree of conservatism. The estimate of the effective dose for this level assumes a concentration based upon the radionuclide concentration at the point of emission to the environment, i.e., at the stack for atmospheric emissions, at the end of the effluent pipe for liquid effluent releases, and at a well because of the buried radioactive material. Levels 2 and 3 are presented for atmospheric releases, and Level 2 for surface water releases only and are more detailed and correspondingly less conservative. Level 2 screening accounts for dispersion in the atmosphere and in surface waters and combines all recognized pathways into the screening factor. For the atmospheric pathway, Level 3 screening includes more definitive pathways analysis. Should the user be found in compliance on the basis of Level 1 screening, no further calculations are required. If the user fails Level 1, the user proceeds to the next level and checks for compliance. This process is repeated until the user passes screening (is in compliance) or no further screening levels exist. If the user fails the final level, professional assistance should be obtained in environmental radiological assessment. Work sheets are designed to lead the user through screening in a step-by-step manner until compliance is demonstrated or it is determined that more sophisticated methods or expertise are needed. Flow diagrams are provided as a guide to identify key steps in the screening process
Battaglin, W.A.; Furlong, E.T.; Burkhardt, M.R.; Peter, C.J.
2000-01-01
Sulfonylurea (SU), sulfonamide (SA), and imidazolinone (IMI) herbicides are relatively new classes of chemical compounds that function by inhibiting the action of a plant enzyme, stopping plant growth, and eventually killing the plant. These compounds generally have low mammalian toxicity, but plants demonstrate a wide range in sensitivity to SUs, SAs, and IMIs with over a 10000-fold difference in observed toxicity levels for some compounds. SUs, SAs, and IMIs are applied either pre- or post-emergence to crops commonly at 1/50th or less of the rate of other herbicides. Little is known about their occurrence, fate, or transport in surface water or ground water in the USA. To obtain information on the occurrence of SU, SA, and IMI herbicides in the Midwestern United States, 212 water samples were collected from 75 surface-water and 25 ground-water sites in 1998. These samples were analyzed for 16 SU, SA and IMI herbicides by USGS Methods Research and Development Program staff using high-performance liquid chromatography/mass spectrometry. Samples were also analyzed for 47 pesticides or pesticide degradation products. At least one of the 16 SUs, SAs or IMIs was detected above the method reporting limit (MRL) of 0.01 ??g/l in 83% of 130 stream samples. Imazethapyr was detected most frequently (71% of samples) followed by flumetsulam (63% of samples) and nicosulfuron (52% of samples). The sum of SU, SA and IMI concentrations exceeded 0.5 ??g/l in less than 10% of stream samples. Acetochlor, alachlor, atrazine, cyanazine and metolachlor were all detected in 90% or more of 129 stream samples. The sum of the concentration of these five herbicides exceeded 50 ??g/l in approximately 10% of stream samples. At least one SU, SA, or IMI herbicide was detected above the MRL in 24% of 25 ground-water samples and 86% of seven reservoir samples. Copyright (C) 2000 Elsevier Science B.V.
3He impurity states on liquid 4He: From thin films to the bulk surface
International Nuclear Information System (INIS)
Pavloff, N.; Treiner, J.
1991-01-01
The structure of the states accessible to 3 He impurities in films of liquid 4 He on Nuclepore is investigated using a density functional approach with a finite-range effective interaction. In thick films, one finds that the two lowest states are localized in the surface region. For thinner films, the variation with film thickness of the first three states results from a delicate balance between the attractive tail of the substrate potential and the quantum finite-size effect. The existence of states localized in the second layer of the films is discussed. The energy difference between the ground state and the first excited state agrees with the recent determination of Higley, Sprague, and Hallock from magnetization measurements. The effective mass of the ground state has a structure similar to that obtained by Krotscheck and coworkers and exhibits a maximum for a 4 He coverage of 0.15 angstrom -2 , in agreement with the data of Gasparini and coworkers. A similar behavior is predicted for the effective mass of the first, second, and third excited states. The structure of the energy spectrum may also explain former results on third-sound measurements in thin mixture films by Laheurte et al. and by Hallock
Energy Technology Data Exchange (ETDEWEB)
Ibral, Asmaa [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida 24000 (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida (Morocco); Zouitine, Asmae [Département de Physique, Ecole Nationale Supérieure d’Enseignement Technique, Université Mohammed V Souissi, B.P. 6207 Rabat-Instituts, Rabat (Morocco); Assaid, El Mahdi, E-mail: eassaid@yahoo.fr [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida 24000 (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida (Morocco); Feddi, El Mustapha [Département de Physique, Ecole Nationale Supérieure d’Enseignement Technique, Université Mohammed V Souissi, B.P. 6207 Rabat-Instituts, Rabat (Morocco); and others
2014-09-15
Ground state energy and wave function of a hydrogen-like off-centre donor impurity, confined anywhere in a ZnS/CdSe spherical core/shell nanostructure are determined in the framework of the envelope function approximation. Conduction band-edge alignment between core and shell of nanostructure is described by a finite height barrier. Dielectric constant mismatch at the surface where core and shell materials meet is taken into account. Electron effective mass mismatch at the inner surface between core and shell is considered. A trial wave function where coulomb attraction between electron and off-centre ionized donor is used to calculate ground state energy via the Ritz variational principle. The numerical approach developed enables access to the dependence of binding energy, coulomb correlation parameter, spatial extension and radial probability density with respect to core radius, shell radius and impurity position inside ZnS/CdSe core/shell nanostructure.
International Nuclear Information System (INIS)
Ibral, Asmaa; Zouitine, Asmae; Assaid, El Mahdi; Feddi, El Mustapha
2014-01-01
Ground state energy and wave function of a hydrogen-like off-centre donor impurity, confined anywhere in a ZnS/CdSe spherical core/shell nanostructure are determined in the framework of the envelope function approximation. Conduction band-edge alignment between core and shell of nanostructure is described by a finite height barrier. Dielectric constant mismatch at the surface where core and shell materials meet is taken into account. Electron effective mass mismatch at the inner surface between core and shell is considered. A trial wave function where coulomb attraction between electron and off-centre ionized donor is used to calculate ground state energy via the Ritz variational principle. The numerical approach developed enables access to the dependence of binding energy, coulomb correlation parameter, spatial extension and radial probability density with respect to core radius, shell radius and impurity position inside ZnS/CdSe core/shell nanostructure
Ran, Shi-Ju
2016-05-01
In this work, a simple and fundamental numeric scheme dubbed as ab initio optimization principle (AOP) is proposed for the ground states of translational invariant strongly correlated quantum lattice models. The idea is to transform a nondeterministic-polynomial-hard ground-state simulation with infinite degrees of freedom into a single optimization problem of a local function with finite number of physical and ancillary degrees of freedom. This work contributes mainly in the following aspects: (1) AOP provides a simple and efficient scheme to simulate the ground state by solving a local optimization problem. Its solution contains two kinds of boundary states, one of which play the role of the entanglement bath that mimics the interactions between a supercell and the infinite environment, and the other gives the ground state in a tensor network (TN) form. (2) In the sense of TN, a novel decomposition named as tensor ring decomposition (TRD) is proposed to implement AOP. Instead of following the contraction-truncation scheme used by many existing TN-based algorithms, TRD solves the contraction of a uniform TN in an opposite way by encoding the contraction in a set of self-consistent equations that automatically reconstruct the whole TN, making the simulation simple and unified; (3) AOP inherits and develops the ideas of different well-established methods, including the density matrix renormalization group (DMRG), infinite time-evolving block decimation (iTEBD), network contractor dynamics, density matrix embedding theory, etc., providing a unified perspective that is previously missing in this fields. (4) AOP as well as TRD give novel implications to existing TN-based algorithms: A modified iTEBD is suggested and the two-dimensional (2D) AOP is argued to be an intrinsic 2D extension of DMRG that is based on infinite projected entangled pair state. This paper is focused on one-dimensional quantum models to present AOP. The benchmark is given on a transverse Ising
Hydrochemical and isotopic study of the Botucatu aquifer ground waters in Sao Paulo State
International Nuclear Information System (INIS)
Silva, R.B.G. da.
1983-01-01
The process controlling chemical composition of ground water,its origin and apparent age as well as, the natural flow rate of the water in Botucatu aquifer in state of Sao Paulo, Brazil, have been investigated using hydrochemical and environmental isotopic ( 18 O, 2 H, 13 C, 14 C) Technics. The main recharge process is assumed to be the infiltration of rain water in the aquifer outcrop area. The progressive confining conditions with the increasing depth of the top of the aquifer layer makes the ground water temperature slowly greater. The recent magnesium and sodium bicarbonated waters changes first to sodium bicarbonated and then to sodium chloride-sulfated waters which are oldest found out in the research area(around 30.000 years ago). The mean Darcy permeability estimated on basis of 14 C and hydraulic gradient data is 2.6x10 -5 m/s. 9 maps (author) [pt
Vandivere, A.L.S.
2013-01-01
This doctoral dissertation explores the techniques that were used to build up fifteenth- and sixteenth-century Netherlandish oil paintings, from the ground up. Paintings are more than two-dimensional images; they are physical objects composed of several layers, usually: the support, ground,
Metya, Atanu K; Singh, Jayant K; Müller-Plathe, Florian
2016-09-29
In this work, we address the nucleation behavior of a supercooled monatomic cylindrical water droplet on nanoscale textured surfaces using molecular dynamics simulations. The ice nucleation rate at 203 K on graphite based textured surfaces with nanoscale roughness is evaluated using the mean fast-passage time method. The simulation results show that the nucleation rate depends on the surface fraction as well as the wetting states. The nucleation rate enhances with increasing surface fraction for water in the Cassie-Baxter state, while contrary behavior is observed for the case of Wenzel state. Based on the spatial histogram distribution of ice formation, we observed two pathways for ice nucleation. Heterogeneous nucleation is observed at a high surface fraction. However, the probability of homogeneous ice nucleation events increases with decreasing surface fraction. We further investigate the role of the nanopillar height in ice nucleation. The nucleation rate is enhanced with increasing nanopillar height. This is attributed to the enhanced contact area with increasing nanopillar height and the shift in nucleation events towards the three-phase contact line associated with the nanotextured surface. The ice-surface work of adhesion for the Wenzel state is found to be 1-2 times higher than that in the Cassie-Baxter state. Furthermore, the work of adhesion of ice in the Wenzel state is found to be linearly dependent on the contour length of the droplet, which is in line with that reported for liquid droplets.
Tritium contaminated surface monitoring with a solid - state device
International Nuclear Information System (INIS)
Culcer, Mihai; Iliescu, Mariana; Curuia, Marian; Enache, Adrian; Stefanescu, Ioan; Ducu, Catalin; Malinovschi, Viorel
2004-01-01
The low energy of betas makes tritium difficult to detect. However, there are several methods used in tritium detection, such as liquid scintillation and ionization chambers. Tritium on or near a surface can be also detected using proportional counters and, recently, solid state devices. The paper presents our results in the design and achievement of a surface tritium monitor using a PIN photodiode as a solid state charged particle detector to count betas emitted from the surface. That method allows continuous, real-time and non-destructively measuring of tritium. (authors)
Jailaubekov, Askat E.; Song, Sang-Hun; Vengris, Mikas; Cogdell, Richard J.; Larsen, Delmar S.
2010-02-01
The hypothesis that S∗ is a vibrationally-excited ground-state population is tested and discarded for two carotenoid samples: β-carotene in solution and rhodopin glucoside embedded in the light harvesting 2 protein from Rhodopseudomonas acidophila. By demonstrating that the transient absorption signals measured in both systems that are induced by broadband (1000 cm -1) and narrowband (50 cm -1) excitation pulses are near identical and hence bandwidth independent, the impulsive stimulated Raman scattering mechanism proposed as the primary source for S∗ generation is discarded. To support this conclusion, previously published multi-pulse pump-dump-probe signals [17] are revisited to discard secondary mechanisms for S∗ formation.
International Nuclear Information System (INIS)
Yuan Qingxin; Ding Guohui
2005-01-01
We investigate the phenomena of symmetry breaking and phase transition in the ground state of Bose-Einstein condensates (BECs) trapped in a double square well and in an optical lattice well, respectively. By using standing-wave expansion method, we present symmetric and asymmetric ground state solutions of nonlinear Schroedinger equation (NLSE) with a symmetric double square well potential for attractive nonlinearity. In particular, we study the ground state wave function's properties by changing the depth of potential and atomic interactions (here we restrict ourselves to the attractive regime). By using the Fourier grid Hamiltonian method, we also reveal a phase transition of BECs trapped in one-dimensional optical lattice potential.
International Nuclear Information System (INIS)
Paraan, Francis N. C.; Korepin, Vladimir E.
2010-01-01
We calculate the first-order perturbation correction to the ground-state energy and chemical potential of a harmonically trapped boson gas with contact interactions about the infinite repulsion Tonks-Girardeau limit. With c denoting the interaction strength, we find that, for a large number of particles N, the 1/c correction to the ground-state energy increases as N 5/2 , in contrast to the unperturbed Tonks-Girardeau value that is proportional to N 2 . We describe a thermodynamic scaling limit for the trapping frequency that yields an extensive ground-state energy and reproduces the zero temperature thermodynamics obtained by a local-density approximation.
Gropengiesser, Uwe
1995-06-01
We compare various evlutionary strategies to determine the ground-state energy of the ± J spin glass. We show that the choice of different evolution laws is less important than a suitable treatment of the "free spins" of the system At least one combination of these strategies does not give the correct results, but the ground states of the other different strategies coincide. Therefore we are able to extrapolate the infinit-size ground-state energy for the square lattice to -1.401±0.0015 and for the simple cubic lattice to -1.786±0.004.
International Nuclear Information System (INIS)
Cirak, C.; Saglam, A.; Ucun, F.
2010-01-01
The ground state hydrogen conformations of 2-, 3-, 4- and 5-dihydroxybenzaldehyde have been investigated using density functional theory (B3LYP) methods with 6-31G (d,p) basis set. The calculations have indicated that the compounds in the ground state exist with the carbonyl group O atom linked intra molecularly by the two hydrogen bonds of the two hydroxyl groups. The vibrational analyses of the ground state conformers of all the compounds were done and their optimized geometry parameters were given.
Exact ground-state phase diagrams for the spin-3/2 Blume-Emery-Griffiths model
International Nuclear Information System (INIS)
Canko, Osman; Keskin, Mustafa; Deviren, Bayram
2008-01-01
We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and J 0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found
Deformation and stability of surface states in Dirac semimetals
Kargarian, Mehdi; Lu, Yuan-Ming; Randeria, Mohit
2018-04-01
The unusual surface states of topological semimetals have attracted a lot of attention. Recently, we showed [Proc. Natl. Acad. Sci. USA 113, 8648 (2016), 10.1073/pnas.1524787113] that for a Dirac semimetal (DSM) arising from band inversion, such as Na3Bi and Cd3As2 , the expected double Fermi arcs on the surface are not topologically protected. Quite generally, the arcs deform into states similar to those on the surface of a strong topological insulator. Here we address two questions related to deformation and stability of surface states in DSMs. First, we discuss why certain perturbations, no matter how large, are unable to destroy the double Fermi arcs. We show that this is related to a certain extra (particle-hole) symmetry, which is nongeneric in materials. Second, we discuss situations in which the surface states are completely destroyed without breaking any symmetry or impacting the bulk Dirac nodes. We are not aware of any experimental or density functional theory (DFT) candidates for a material which is a bulk DSM without any surface states, but our results clearly show that this is possible.
International Nuclear Information System (INIS)
Liu Jia; Xiao Jingling
2006-01-01
We study theoretically the ground state energy of a polaron near the interface of a polar-polar semiconductor by considering the Rashba spin-orbit (SO) coupling with the Lee-Low-Pines intermediate coupling method. Our numerical results show that the Rashba SO interaction originating from the inversion asymmetry in the heterostructure splits the ground state energy of the polaron. The electron areal density and vector dependence of the ratio of the SO interaction to the total ground state energy or other energy composition are obvious. One can see that even without any external magnetic field, the ground state energy can be split by the Rashba SO interaction, and this split is not a single but a complex one. Since the presents of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the polaron are more stable than electron's.
International Nuclear Information System (INIS)
Mazzarella, G.; Toigo, F.; Salasnich, L.; Parola, A.
2011-01-01
We consider a bosonic Josephson junction made of N ultracold and dilute atoms confined by a quasi-one-dimensional double-well potential within the two-site Bose-Hubbard model framework. The behavior of the system is investigated at zero temperature by varying the interatomic interaction from the strongly attractive regime to the repulsive one. We show that the ground state exhibits a crossover from a macroscopic Schroedinger-cat state to a separable Fock state through an atomic coherent regime. By diagonalizing the Bose-Hubbard Hamiltonian we characterize the emergence of the macroscopic cat states by calculating the Fisher information F, the coherence by means of the visibility α of the interference fringes in the momentum distribution, and the quantum correlations by using the entanglement entropy S. Both Fisher information and visibility are shown to be related to the ground-state energy by employing the Hellmann-Feynman theorem. This result, together with a perturbative calculation of the ground-state energy, allows simple analytical formulas for F and α to be obtained over a range of interactions, in excellent agreement with the exact diagonalization of the Bose-Hubbard Hamiltonian. In the attractive regime the entanglement entropy attains values very close to its upper limit for a specific interaction strength lying in the region where coherence is lost and self-trapping sets in.
Rashba split surface states in BiTeBr
International Nuclear Information System (INIS)
Eremeev, S V; Rusinov, I P; Nechaev, I A; Chulkov, E V
2013-01-01
Within density functional theory, we study the bulk band structure and surface states of BiTeBr. We consider both ordered and disordered phases, which differ in atomic order in the Te–Br sublattice. On the basis of relativistic ab initio calculations, we show that the ordered BiTeBr is energetically preferable as compared with the disordered one. We demonstrate that both Te- and Br-terminated surfaces of the ordered BiTeBr hold surface states with a giant spin–orbit splitting. The Te-terminated surface-state spin splitting has Rashba-type behavior with the coupling parameter α R ∼ 2 eVÅ. (paper)
Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness
International Nuclear Information System (INIS)
Kaushal, Ashok K.; Mullick, Shanta; Ahluwalia, P. K.
2011-01-01
Surface relaxation and electronic DOS's of Pt(111) surface have been studied with varying slab thickness using ab-initio SIESTA method. We found the expansion in the top layer and contraction in the subsurface layers of Pt(111) surface. Our results match with the experimental results. Also observing electronic density of states we found that as we increase the thickness of slab, the PDOS of Pt(111) surface goes towards the bulk density of states and Fermi energy shifts towards the bulk fermi energy.
Ground-state and pairing-vibrational bands with equal quadrupole collectivity in 124Xe
Radich, A. J.; Garrett, P. E.; Allmond, J. M.; Andreoiu, C.; Ball, G. C.; Bianco, L.; Bildstein, V.; Chagnon-Lessard, S.; Cross, D. S.; Demand, G. A.; Diaz Varela, A.; Dunlop, R.; Finlay, P.; Garnsworthy, A. B.; Hackman, G.; Hadinia, B.; Jigmeddorj, B.; Laffoley, A. T.; Leach, K. G.; Michetti-Wilson, J.; Orce, J. N.; Rajabali, M. M.; Rand, E. T.; Starosta, K.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wang, Z. M.; Wood, J. L.; Wong, J.; Williams, S. J.; Yates, S. W.
2015-04-01
The nuclear structure of 124Xe has been investigated via measurements of the β+/EC decay of 124Cs with the 8 π γ -ray spectrometer at the TRIUMF-ISAC facility. The data collected have enabled branching ratio measurements of weak, low-energy transitions from highly excited states, and the 2+→0+ in-band transitions have been observed. Combining these results with those from a previous Coulomb excitation study, B (E 2 ;23+→02+) =78 (13 ) W.u. and B (E 2 ;24+→03+) =53 (12 ) W.u. were determined. The 03+ state, in particular, is interpreted as the main fragment of the proton-pairing vibrational band identified in a previous 122Te (3He,n )124Xe measurement, and has quadrupole collectivity equal to, within uncertainty, that of the ground-state band.
A grounded theory of young tennis players use of music to manipulate emotional state.
Bishop, Daniel T; Karageorghis, Costas I; Loizou, Georgios
2007-10-01
The main objectives of this study were (a) to elucidate young tennis players' use of music to manipulate emotional states, and (b) to present a model grounded in present data to illustrate this phenomenon and to stimulate further research. Anecdotal evidence suggests that music listening is used regularly by elite athletes as a preperformance strategy, but only limited empirical evidence corroborates such use. Young tennis players (N = 14) were selected purposively for interview and diary data collection. Results indicated that participants consciously selected music to elicit various emotional states; frequently reported consequences of music listening included improved mood, increased arousal, and visual and auditory imagery. The choice of music tracks and the impact of music listening were mediated by a number of factors, including extramusical associations, inspirational lyrics, music properties, and desired emotional state. Implications for the future investigation of preperformance music are discussed.
International Nuclear Information System (INIS)
Savolainen, Janne; Buckup, Tiago; Hauer, Juergen; Jafarpour, Aliakbar; Serrat, Carles; Motzkus, Marcus; Herek, Jennifer L.
2009-01-01
Ultrafast relaxation of a carotenoid in an artificial light-harvesting complex has been studied by transient absorption spectroscopy. The transient signal amplitudes at several wavelengths as well as the amplitudes of the underlying species associated spectra (SAS) are analysed for several excitation energies ranging over more than two orders of magnitude (10 nJ/pulse up to 3000 nJ/pulse). Our analysis shows that the contribution from the so-called S* signal on the long-wavelength side of the first allowed S 0 → S 2 transition has a markedly different excitation energy dependence and saturation behaviour than the electronic excited state S 1 . These observations are modelled and explained in terms of a two-photon excitation of a vibrationally hot ground state via an impulsive stimulated Raman scattering (ISRS). The experimental observations of the varying pulse energy dependencies of different excited state species are supported by an analysis based on a density-matrix formalism
Air-Surface-Ground Water Cycling in an Agricultural Desert Valley of Southern Colorado
Lanzoni, M.
2017-12-01
In dryland areas around the world, vegetation plays an important role in stabilizing soil and encouraging recharge. In the Colorado high desert of the San Luis Valley, windstorms strip away topsoil and deposit dust on the surrounding mountain snowpack. Dust-on-snow lowers albedo and hastens melting, which in turn lowers infiltration and aquifer recharge. Since the 1990s, the San Luis Valley has experienced a sharp decline in aquifer levels due to over-development of its water resources. Where agricultural abstraction is significant, the unconfined aquifer has experienced a 9 m (30 ft) drop. Over the course of three years, this dryland hydrology study analyzed rain, snow, surface and ground water across a 20,000 km2 high desert area to establish a baseline of water inputs. δ18O and δ2H were analyzed to develop a LMWL specific to this region of the southern Rockies and isotopic differences were examined in relation to chemistry to understand environmental influences on meteoric waters. This work identifies a repeating pattern of acid rainfall with trace element contaminants, including actinides.To better understand how the area's dominant vegetation responds to a lowered water table, 76 stem water samples were collected from the facultative phreatophyte shrubs E. nauseosa and S. vermiculatus over the summer, fall, spring, and summer of 2015 and 2016 from study plots chosen for increasing depths to groundwater. This research shows distinct patterns of water capture strategy and seasonal shifts among the E. nauseosa and S. vermiculatus shrubs. These differences are most apparent where groundwater is most accessible. However, where the water table has dropped 6 m (20 feet) over the last decade, both E. nauseosa and S. vermiculatus survive only on near-surface snowmelt and rain.
Exotic Paired States with Anisotropic Spin-Dependent Fermi Surfaces
International Nuclear Information System (INIS)
Feiguin, Adrian E.; Fisher, Matthew P. A.
2009-01-01
We propose a model for realizing exotic paired states in cold Fermi gases by using a spin-dependent optical lattice to engineer mismatched Fermi surfaces for each hyperfine species. The BCS phase diagram shows a stable paired superfluid state with coexisting pockets of momentum space with gapless unpaired carriers, similar to the Sarma state in polarized mixtures, but in our case the system is unpolarized. We propose the possible existence of an exotic 'Cooper-pair Bose-metal' phase, which has a gap for single fermion excitations but gapless and uncondensed 'Cooper-pair' excitations residing on a 'Bose surface' in momentum space.
Martínez, G M; Rennó, N; Fischer, E; Borlina, C S; Hallet, B; de la Torre Juárez, M; Vasavada, A R; Ramos, M; Hamilton, V; Gomez-Elvira, J; Haberle, R M
2014-08-01
The analysis of the surface energy budget (SEB) yields insights into soil-atmosphere interactions and local climates, while the analysis of the thermal inertia ( I ) of shallow subsurfaces provides context for evaluating geological features. Mars orbital data have been used to determine thermal inertias at horizontal scales of ∼10 4 m 2 to ∼10 7 m 2 . Here we use measurements of ground temperature and atmospheric variables by Curiosity to calculate thermal inertias at Gale Crater at horizontal scales of ∼10 2 m 2 . We analyze three sols representing distinct environmental conditions and soil properties, sol 82 at Rocknest (RCK), sol 112 at Point Lake (PL), and sol 139 at Yellowknife Bay (YKB). Our results indicate that the largest thermal inertia I = 452 J m -2 K -1 s -1/2 (SI units used throughout this article) is found at YKB followed by PL with I = 306 and RCK with I = 295. These values are consistent with the expected thermal inertias for the types of terrain imaged by Mastcam and with previous satellite estimations at Gale Crater. We also calculate the SEB using data from measurements by Curiosity's Rover Environmental Monitoring Station and dust opacity values derived from measurements by Mastcam. The knowledge of the SEB and thermal inertia has the potential to enhance our understanding of the climate, the geology, and the habitability of Mars.
Kostik, Vesna; Bauer, Biljana; Kavrakovski, Zoran
2014-01-01
The aim of this study was to determine lithium concentration in potable water, surface water, ground, and mineral water on the territory of the Republic of Macedonia. Water samples were collected from water bodies such as multiple public water supply systems located in 13 cities, wells boreholes located in 12 areas, lakes and rivers located in three different areas. Determination of lithium concentration in potable water, surface water was performed by the technique of inductively coupl...
Quantum State-Resolved Collision Dynamics of Nitric Oxide at Ionic Liquid and Molten Metal Surfaces
Zutz, Amelia Marie
Detailed molecular scale interactions at the gas-liquid interface are explored with quantum state-to-state resolved scattering of a jet-cooled beam of NO(2pi1/2; N = 0) from ionic liquid and molten metal surfaces. The scattered distributions are probed via laser-induced fluorescence methods, which yield rotational and spin-orbit state populations that elucidate the dynamics of energy transfer at the gas-liquid interface. These collision dynamics are explored as a function of incident collision energy, surface temperature, scattering angle, and liquid identity, all of which are found to substantially affect the degree of rotational, electronic and vibrational excitation of NO via collisions at the liquid surface. Rotational distributions observed reveal two distinct scattering pathways, (i) molecules that trap, thermalize and eventually desorb from the surface (trapping-desorption, TD), and (ii) those that undergo prompt recoil (impulsive scattering, IS) prior to complete equilibration with the liquid surface. Thermally desorbing NO molecules are found to have rotational temperatures close to, but slightly cooler than the surface temperature, indicative of rotational dependent sticking probabilities on liquid surfaces. Nitric oxide is a radical with multiple low-lying electronic states that serves as an ideal candidate for exploring nonadiabatic state-changing collision dynamics at the gas-liquid interface, which induce significant excitation from ground (2pi1/2) to excited (2pi 3/2) spin-orbit states. Molecular beam scattering of supersonically cooled NO from hot molten metals (Ga and Au, Ts = 300 - 1400 K) is also explored, which provide preliminary evidence for vibrational excitation of NO mediated by thermally populated electron-hole pairs in the hot, conducting liquid metals. The results highlight the presence of electronically nonadiabatic effects and build toward a more complete characterization of energy transfer dynamics at gas-liquid interfaces.
Setterbo, Jacob J; Garcia, Tanya C; Campbell, Ian P; Reese, Jennifer L; Morgan, Jessica M; Kim, Sun Y; Hubbard, Mont; Stover, Susan M
2009-10-01
To compare hoof acceleration and ground reaction force (GRF) data among dirt, synthetic, and turf surfaces in Thoroughbred racehorses. 3 healthy Thoroughbred racehorses. Forelimb hoof accelerations and GRFs were measured with an accelerometer and a dynamometric horseshoe during trot and canter on dirt, synthetic, and turf track surfaces at a racecourse. Maxima, minima, temporal components, and a measure of vibration were extracted from the data. Acceleration and GRF variables were compared statistically among surfaces. The synthetic surface often had the lowest peak accelerations, mean vibration, and peak GRFs. Peak acceleration during hoof landing was significantly smaller for the synthetic surface (mean + or - SE, 28.5g + or - 2.9g) than for the turf surface (42.9g + or - 3.8g). Hoof vibrations during hoof landing for the synthetic surface were dirt and turf surfaces. Peak GRF for the synthetic surface (11.5 + or - 0.4 N/kg) was 83% and 71% of those for the dirt (13.8 + or - 0.3 N/kg) and turf surfaces (16.1 + or - 0.7 N/kg), respectively. The relatively low hoof accelerations, vibrations, and peak GRFs associated with the synthetic surface evaluated in the present study indicated that synthetic surfaces have potential for injury reduction in Thoroughbred racehorses. However, because of the unique material properties and different nature of individual dirt, synthetic, and turf racetrack surfaces, extending the results of this study to encompass all track surfaces should be done with caution.
High Fidelity Preparation of a Single Atom in Its 2D Center of Mass Ground State
Sompet, Pimonpan; Fung, Yin Hsien; Schwartz, Eyal; Hunter, Matthew D. J.; Phrompao, Jindaratsamee; Andersen, Mikkel F.
2017-04-01
Complete control over quantum states of individual atoms is important for the study of the microscopic world. Here, we present a push button method for high fidelity preparation of a single 85Rb atom in the vibrational ground state of tightly focused optical tweezers. The method combines near-deterministic preparation of a single atom with magnetically-insensitive Raman sideband cooling. We achieve 2D cooling in the radial plane with a ground state population of 0.85, which provides a fidelity of 0.7 for the entire procedure (loading and cooling). The Raman beams couple two sublevels (| F = 3 , m = 0 〉 and | F = 2 , m = 0 〉) that are indifferent to magnetic noise to first order. This leads to long atomic coherence times, and allows us to implement the cooling in an environment where magnetic field fluctuations prohibit previously demonstrated variations. Additionally, we implement the trapping and manipulation of two atoms confined in separate dynamically reconfigurable optical tweezers, to study few-body dynamics.
Ground-state energy of the interacting Bose gas in two dimensions: An explicit construction
International Nuclear Information System (INIS)
Beane, Silas R.
2010-01-01
The isotropic scattering phase shift is calculated for nonrelativistic bosons interacting at low energies via an arbitrary finite-range potential in d space-time dimensions. Scattering on a (d-1)-dimensional torus is then considered, and the eigenvalue equation relating the energy levels on the torus to the scattering phase shift is derived. With this technology in hand, and focusing on the case of two spatial dimensions, a perturbative expansion is developed for the ground-state energy of N identical bosons which interact via an arbitrary finite-range potential in a finite area. The leading nonuniversal effects due to range corrections and three-body forces are included. It is then shown that the thermodynamic limit of the ground-state energy in a finite area can be taken in closed form to obtain the energy per particle in the low-density expansion by explicitly summing the parts of the finite-area energy that diverge with powers of N. The leading and subleading finite-size corrections to the thermodynamic limit equation of state are also computed. Closed-form results--some well known, others perhaps not--for two-dimensional lattice sums are included in an Appendix.
Looney, Chris; Zack, Richard S; Labonte, James R
2014-01-01
Carabidae) collected from the Hanford Nuclear Reservation and Hanford National Monument (together the Hanford Site), which is located in south-central Washington State. The Site is a relatively undisturbed relict of the shrub-steppe habitat present throughout much of the western Columbia Basin before the westward expansion of the United States. Species, localities, months of capture, and capture method are reported for field work conducted between 1994 and 2002. Most species were collected using pitfall traps, although other capture methods were employed. Trapping results indicate the Hanford Site supports a diverse ground beetle community, with over 90% of the 92 species captured native to North America. Four species collected during the study period are newly recorded for Washington State: Bembidion diligens Casey, Calosoma obsoletum Say, Pseudaptinus rufulus (LeConte), and Stenolophus lineola (Fabricius). Based on these data, the Site maintains a diverse ground beetle fauna and, due to its size and diversity of habitats, is an important repository of shrub-steppe biodiversity.
Structure and magnetic ground states of spin-orbit coupled compound alpha-RuCl3
Banerjee, Arnab; Bridges, Craig; Yan, Jiaqiang; Mandrus, David; Stone, Matthew; Aczel, Adam; Li, Ling; Yiu, Yuen; Lumsden, Mark; Chakoumakos, Bryan; Tennant, Alan; Nagler, Stephen
2015-03-01
The layered material alpha-RuCl3 is composed of stacks of weakly coupled honeycomb lattices of octahedrally coordinated Ru3 + ions. The Ru ion ground state has 5 d electrons in the low spin state, with spin-orbit coupling very strong compared to other terms in the single ion Hamiltonian. The material is therefore an excellent candidate for investigating possible Heisenberg-Kitaev physics. In addition, this compound is very amenable to investigation by neutron scattering to explore the magnetic ground state and excitations in detail. In this talk, we discuss the synthesis of phase-pure alpha-RuCl3 and the characterization of the magnetization, susceptibility, and heat-capacity. We also report neutron diffraction on both powder and single crystal alpha-RuCl3, identifying the low temperature magnetic order observed in the material. The results, when compared to theoretical calculations, shed light on the relative importance of Kitaev and Heisenberg terms in the Hamiltonian. The research is supported by the DOE BES Scientific User Facility Division.