Semiempirical search for oxide superconductors based on bond valence sums
International Nuclear Information System (INIS)
Tanaka, S.; Fukushima, N.; Niu, H.; Ando, K.
1992-01-01
Relationships between crystal structures and electronic states of layered transition-metal oxides are analyzed in the light of bond valence sums. Correlations between the superconducting transition temperature T c and the bond-valence-sum parameters are investigated for the high-T c cuprate compounds. Possibility of making nonsuperconducting oxides superconducting is discussed. (orig.)
International Nuclear Information System (INIS)
Liebau, Friedrich; Klein, Hans-Joachim; Wang, Xiqu
2011-01-01
A crystal-chemical approach to superconductivity is described that is intended to complement the corresponding physical approach. The former approach takes into account the distinction between the stoichiometric valence ( stoich V) and the structural valence ( struct V) which is represented by the bond-valence sums (BVS). Through calculations of BVS values from crystal-structure data determined at ambient temperature and pressure it has been found that in chalcogenides und pnictides of the transition metals Fe, Co, Ni, Mn, Hf, and Zr the atoms of the potential superconducting units yield values of vertical stroke BVS vertical stroke = vertical stroke struct V vertical stroke ≥ 1.11 x vertical stroke stoich V vertical stroke, whereas the atoms of the charge reservoirs have in general values of vertical stroke struct V vertical stroke stoich V vertical stroke. In corresponding compounds which contain the same elements but are not becoming superconducting, nearly all atoms are found to have vertical stroke struct V vertical stroke stoich V vertical stroke. For atoms of oxocuprates that are not becoming superconducting and for atoms of the charge reservoirs of oxocuprates that become superconducting, the relation vertical stroke struct V vertical stroke stoich V vertical stroke seems also to be fulfilled, with the exception of Ba. However, in several oxocuprates the relation vertical stroke struct V vertical stroke = 1.11 x vertical stroke stoich V vertical stroke for the atoms that become superconducting units is violated. These violations seem to indicate that in oxocuprates it is the local bond-valence distribution rather than the bond-valence sums that is essential for superconductivity. The present analysis can possibly be used to predict, by a simple consideration of ambient-T, P structures, whether a compound can become an unconventional superconductor at low T, under high P and/or by doping, or not. (orig.)
International Nuclear Information System (INIS)
Ting, V.; Liu, Y.; Withers, R.L.; Krausz, E.
2004-01-01
A careful investigation has been carried out into the space group symmetries, structures and crystal chemistries of the 1:1 B-site ordered double perovskites A 2 InNbO 6 (A=Ca 2+ , Sr 2+ , Ba 2+ ) using a combination of bond valence sum calculations, powder XRD and electron diffraction. A recent investigation of these compounds by Yin et al. reported a random distribution of In 3+ and Nb 5+ ions onto the perovskite B-site positions of these compounds and hence Pm3-barm (a=a p , subscript p for parent perovskite sub-structure) space group symmetry for the A=Ba and Sr compounds and Pnma (a=a p +b p , b=-a p +b p , c=2c p ) space group symmetry for the A=Ca compound. A careful electron diffraction study, however, shows that both the A=Ca and Sr compounds occur at room temperature in P12 1 /n1 (a=a p +b p , b=-a p +b p , c=2c p ) perovskite-related superstructure phases while the A=Ba compound occurs in the Fm3-barm, a=2a p , elpasolite structure type. Bond valence sum calculations are used to explain why this should be so as well as to provide a useful first-order approximation to the structures of each of the compounds
Toulemonde, P.; Odier, P.; Bordet, P.; Floch, S. Le; Suard, E.
2004-01-01
The effects of Sr substitution on superconductivity, and more particulary the changes induced in the hole doping mechanism, were investigated in Hg2(Ba1-ySry)2YCu2O8-d by a "bond valence sum" analysis with Sr content from y = 0.0 to y = 1.0. A comparison with CuBa2YCu2O7-d and Cu2Ba2YCu2O8 systems suggests a possible explanation of the Tc enhancement from 0 K for y = 0.0 to 42 K for y = 1.0. The charge distribution among atoms of the unit cell was determined from the refined structure, for y ...
Bond-Valence Constraints on Liquid Water Structure
International Nuclear Information System (INIS)
Bickmore, Barry R.; Rosso, Kevin M.; Brown, I. David; Kerisit, Sebastien N.
2009-01-01
The recent controversy about the structure of liquid water pits a new model involving water molecules in relatively stable rings-and-chains structures against the standard model that posits water molecules in distorted tetrahedral coordination. Molecular dynamics (MD) simulations 'both classical and ab initio' almost uniformly support the standard model, but since none of them can yet reproduce all the anomalous properties of water, they leave room for doubt. We argue that it is possible to evaluate these simulations by testing them against their adherence to the bond-valence model, a well known, and quantitatively accurate, empirical summary of the behavior of atoms in the bonded networks of inorganic solids. Here we use the results of ab initio molecular dynamics simulations of ice, water, and several solvated aqueous species to show that the valence sum rule (the first axiom of the bond-valence model,) is followed in both solid and liquid bond networks. We then test MD simulations of water, employing several popular potential models, against this criterion and the experimental O-O radial distribution function. It appears that most of those tested cannot satisfy both criteria well, except TIP4P and TIP5P. If the valence sum rule really can be applied to simulated liquid structures, then it follows that the bonding behaviors of atoms in liquids are in some ways identical to those in solids. We support this interpretation by showing that the simulations produce O-H-O geometries completely consistent with the range of geometries available in solids, and the distributions of instantaneous valence sums reaching the atoms in both the ice and liquid water simulations are essentially identical. Taken together, this is powerful evidence in favor of the standard distorted tetrahedral model of liquid water structure
The chemical bond in inorganic chemistry the bond valence model
Brown, I David
2016-01-01
The bond valence model is a version of the ionic model in which the chemical constraints are expressed in terms of localized chemical bonds formed by the valence charge of the atoms. Theorems derived from the properties of the electrostatic flux predict the rules obeyed by both ionic and covalent bonds. They make quantitative predictions of coordination number, crystal structure, bond lengths and bond angles. Bond stability depends on the matching of the bonding strengths of the atoms, while the conflicting requirements of chemistry and space lead to the structural instabilities responsible for the unusual physical properties displayed by some materials. The model has applications in many fields ranging from mineralogy to molecular biology.
Topological Qubits from Valence Bond Solids
Wang, Dong-Sheng; Affleck, Ian; Raussendorf, Robert
2018-05-01
Topological qubits based on S U (N )-symmetric valence-bond solid models are constructed. A logical topological qubit is the ground subspace with twofold degeneracy, which is due to the spontaneous breaking of a global parity symmetry. A logical Z rotation by an angle 2 π /N , for any integer N >2 , is provided by a global twist operation, which is of a topological nature and protected by the energy gap. A general concatenation scheme with standard quantum error-correction codes is also proposed, which can lead to better codes. Generic error-correction properties of symmetry-protected topological order are also demonstrated.
Seniority Number in Valence Bond Theory.
Chen, Zhenhua; Zhou, Chen; Wu, Wei
2015-09-08
In this work, a hierarchy of valence bond (VB) methods based on the concept of seniority number, defined as the number of singly occupied orbitals in a determinant or an orbital configuration, is proposed and applied to the studies of the potential energy curves (PECs) of H8, N2, and C2 molecules. It is found that the seniority-based VB expansion converges more rapidly toward the full configuration interaction (FCI) or complete active space self-consistent field (CASSCF) limit and produces more accurate PECs with smaller nonparallelity errors than its molecular orbital (MO) theory-based analogue. Test results reveal that the nonorthogonal orbital-based VB theory provides a reverse but more efficient way to truncate the complete active Hilbert space by seniority numbers.
Valence bond model potential energy surface for H4
International Nuclear Information System (INIS)
Silver, D.M.; Brown, N.J.
1980-01-01
Potential energy surfaces for the H 4 system are derived using the valence bond procedure. An ab initio evaluation of the valence bond energy expression is described and some of its numerical properties are given. Next, four semiempirical evaluations of the valence bond energy are defined and parametrized to yield reasonable agreement with various ab initio calculations of H 4 energies. Characteristics of these four H 4 surfaces are described by means of tabulated energy minima and equipotential contour maps for selected geometrical arrangements of the four nuclei
Bond charge approximation for valence electron density in elemental semiconductors
International Nuclear Information System (INIS)
Bashenov, V.K.; Gorbachov, V.E.; Marvakov, D.I.
1985-07-01
The spatial valence electron distribution in silicon and diamond is calculated in adiabatic bond charge approximation at zero temperature when bond charges have the Gaussian shape and their tensor character is taken into account. An agreement between theory and experiment has been achieved. For this purpose Xia's ionic pseudopotentials and Schulze-Unger's dielectric function are used. By two additional parameters Asub(B) and Zsub(B)sup(') we describe the spatial extent of the bond charge and local-field corrections, respectively. The parameter Zsub(B)sup(') accounts for the ratio between the Coulomb and exchange correlation interactions of the valence electrons and its silicon and diamond values have different signs. (author)
27 CFR 24.148 - Penal sums of bonds.
2010-04-01
... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Penal sums of bonds. 24.148 Section 24.148 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU... Vinegar Plant Bond, TTB F 5510.2 Not less than the tax on all wine on hand, in transit, or unaccounted for...
The extended variant of the bond valence-bond length correlation curve for boron(III)-oxygen bonds
International Nuclear Information System (INIS)
Sidey, Vasyl
2015-01-01
The extended variant of the bond valence (s)-bond length (r) correlation curve for boron(III)-oxygen bonds has been closely approximated using the three-parameter function s = [k/(r - l)] - m, where s is measured in valence units (vu), r is measured in Aa, k = 0.53 Aa.vu, l = 0.975(1) Aa and m = 0.32 vu. The function s = exp[(r 0 - r)/b] traditionally used in the modern bond valence model requires the separate set of the bond valence parameters (r 0 = 1.362 Aa; b = 0.23 Aa) in order to approximate the above s-r curve for the bonds shorter than ∝1.3 Aa.
Topologically distinct classes of valence-bond solid states with their parent Hamiltonians
International Nuclear Information System (INIS)
Tu Honghao; Zhang Guangming; Xiang Tao; Liu Zhengxin; Ng Taikai
2009-01-01
We present a general method to construct one-dimensional translationally invariant valence-bond solid states with a built-in Lie group G and derive their matrix product representations. The general strategies to find their parent Hamiltonians are provided so that the valence-bond solid states are their unique ground states. For quantum integer-spin-S chains, we discuss two topologically distinct classes of valence-bond solid states: one consists of two virtual SU(2) spin-J variables in each site and another is formed by using two SO(2S+1) spinors. Among them, a spin-1 fermionic valence-bond solid state, its parent Hamiltonian, and its properties are discussed in detail. Moreover, two types of valence-bond solid states with SO(5) symmetries are further generalized and their respective properties are analyzed as well.
Resonating-valence-bond superconductors with fermionic projected entangled pair states
Poilblanc, D.; Corboz, P.; Schuch, N.; Cirac, J.I.
2014-01-01
We construct a family of simple fermionic projected entangled pair states (fPEPS) on the square lattice with bond dimension D=3 which are exactly hole-doped resonating valence bond (RVB) wave functions with short-range singlet bonds. Under doping the insulating RVB spin liquid evolves immediately
Ploshnik, Elina; Danovich, David; Hiberty, Philippe C; Shaik, Sason
2011-04-12
We describe herein a valence bond (VB) study of 27 triply bonded molecules of the general type X≡Y, where X and Y are main element atoms/fragments from groups 13-15 in the periodic table. The following conclusions were derived from the computational data: (a) Single π-bond and double π-bond energies for the entire set correlate with the "molecular electronegativity", which is the sum of the X and Y electronegativites for X≡Y. The correlation with the molecular electronegativity establishes a simple rule of periodicity: π-bonding strength generally increases from left to right in a period and decreases down a column in the periodic table. (b) The σ frame invariably prefers trans bending, while π-bonding gets destabilized and opposes the trans distortion. In HC≡CH, the π-bonding destabilization overrides the propensity of the σ frame to distort, while in the higher row molecules, the σ frame wins out and establishes trans-bent molecules with 2(1)/2 bonds, in accord with recent experimental evidence based on solid state (29)Si NMR of the Sekiguchi compound. Thus, in the trans-bent molecules "less bonds pay more". (c) All of the π bonds show significant bonding contributions from the resonance energy due to covalent-ionic mixing. This quantity is shown to correlate linearly with the corresponding "molecular electronegativity" and to reflect the mechanism required to satisfy the equilibrium condition for the bond. The π bonds for molecules possessing high molecular electronegativity are charge-shift bonds, wherein bonding is dominated by the resonance energy of the covalent and ionic forms, rather than by either form by itself.
Czech Academy of Sciences Publication Activity Database
Ponec, Robert
2005-01-01
Roč. 114, 1-3 (2005), s. 208-212 ISSN 1432-881X R&D Projects: GA AV ČR(CZ) IAA4072403 Institutional research plan: CEZ:AV0Z4072921 Keywords : bonding in solids * bond order * valence Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.179, year: 2005
BOA valence bonding with f-character in highly coordinated actinides
International Nuclear Information System (INIS)
Carter, F.L.
1979-01-01
The addition of f character to bidirectional orbitals enhances their flexibility significantly. The resultant Cf and Gf orbitals are applied to some common high coordinations of the actinides. The valence bond approach implies d and f orbital radial splitting into bonding hybrids and either contracted localized or extended supra-valent d and f orbitals
Covalent bond orders and atomic valences from correlated wavefunctions
Ángyán, János G.; Rosta, Edina; Surján, Péter R.
1999-01-01
A comparison is made between two alternative definitions for covalent bond orders: one derived from the exchange part of the two-particle density matrix and the other expressed as the correlation of fluctuations (covariance) of the number of electrons between the atomic centers. Although these definitions lead to identical formulae for mono-determinantal SCF wavefunctions, they predict different bond orders for correlated wavefunctions. It is shown that, in this case, the fluctuation-based definition leads to slightly lower values of the bond order than does the exchange-based definition, provided one uses an appropriate space-partitioning technique like that of Bader's topological theory of atoms in a molecule; however, use of Mulliken partitioning in this context leads to unphysical behaviour. The example of H 2 is discussed in detail.
Effects of Magnetic Field on the Valence Bond Property of the Double-Quantum-Dot Molecule
Institute of Scientific and Technical Information of China (English)
王立民; 罗莹; 马本堃
2002-01-01
The effects of the magnetic field on the valence bond property of the double-quantum-dot molecule are numerically studied by the finite element method and perturbation approach because of the absence of cylindrical symmetry in the horizontally coupled dots. The calculation results show that the energy value of the ground state changes differently from that of the first excited state with increasing magnetic field strength, and they cross under a certain magnetic field. The increasing magnetic field makes the covalent bond state change into an ionic bond state, which agrees qualitatively with experimental results and makes ionic bond states remain. The oscillator strength of transition between covalent bond states decreases distinctly with the increasing magnetic field strength, when the molecule is irradiated by polarized light. Such a phenomenon is possibly useful for actual applications.
Quantum computational capability of a 2D valence bond solid phase
International Nuclear Information System (INIS)
Miyake, Akimasa
2011-01-01
Highlights: → Our model is the 2D valence bond solid phase of a quantum antiferromagnet. → Universal quantum computation is processed by measurements of quantum correlations. → An intrinsic complexity of strongly-correlated quantum systems could be a resource. - Abstract: Quantum phases of naturally-occurring systems exhibit distinctive collective phenomena as manifestation of their many-body correlations, in contrast to our persistent technological challenge to engineer at will such strong correlations artificially. Here we show theoretically that quantum correlations exhibited in the 2D valence bond solid phase of a quantum antiferromagnet, modeled by Affleck, Kennedy, Lieb, and Tasaki (AKLT) as a precursor of spin liquids and topological orders, are sufficiently complex yet structured enough to simulate universal quantum computation when every single spin can be measured individually. This unveils that an intrinsic complexity of naturally-occurring 2D quantum systems-which has been a long-standing challenge for traditional computers-could be tamed as a computationally valuable resource, even if we are limited not to create newly entanglement during computation. Our constructive protocol leverages a novel way to herald the correlations suitable for deterministic quantum computation through a random sampling, and may be extensible to other ground states of various 2D valence bond phases beyond the AKLT state.
Effects of Electric Field on the Valence-Bond Property of an Electron in a Quantum-Dot Molecule
Institute of Scientific and Technical Information of China (English)
王立民; 罗莹; 马本堃
2002-01-01
The electronic structure of the quantum-dot molecules in an electric field is investigated by the finite element method with the effective mass approximation. The numerical calculation results show that the valence bond of the quantum-dot molecule alternates between covalent bonds and ionic bonds as the electric field increases. The valence-bond property can be reflected by the oscillator strength of the intraband transition. The bound state with the highest energy level in the quantum-dot molecule gradually changes into a quasibound state when the electric field increases.
Structure of s - p bonded metal clusters with 8, 20 and 40 valence electrons
International Nuclear Information System (INIS)
Kumar, V.
1992-10-01
From studies on some clusters of metals and semiconductors, there appear some similarities in the structure of clusters with a given number of atoms and having the number of valence electrons corresponding to a shell closing. Here we present results of the atomic and electronic structure of a few other clusters with 20 and 40 valence electrons, namely Sb 4 , Sn 5 and Sb 8 using the density functional molecular dynamics method. We suggest that the similarities in the structure and deviation from them may help to understand bonding characteristics in clusters and its evolution to bulk behaviour. Our results on Sb 8 cluster are preliminary but indicate that above room temperature its structure is two weakly interacting tetrahedra which is in general agreement with the observation of predominently antimony tetramers at T > 300 K. (author). 16 refs, 2 figs
Turek, Jan; Braïda, Benoît; De Proft, Frank
2017-10-17
The bonding in heavier Group 14 zero-valent complexes of a general formula L 2 E (E=Si-Pb; L=phosphine, N-heterocyclic and acyclic carbene, cyclic tetrylene and carbon monoxide) is probed by combining valence bond (VB) theory and maximum probability domain (MPD) approaches. All studied complexes are initially evaluated on the basis of the structural parameters and the shape of frontier orbitals revealing a bent structural motif and the presence of two lone pairs at the central E atom. For the VB calculations three resonance structures are suggested, representing the "ylidone", "ylidene" and "bent allene" structures, respectively. The influence of both ligands and central atoms on the bonding situation is clearly expressed in different weights of the resonance structures for the particular complexes. In general, the bonding in the studied E 0 compounds, the tetrylones, is best described as a resonating combination of "ylidone" and "ylidene" structures with a minor contribution of the "bent allene" structure. Moreover, the VB calculations allow for a straightforward assessment of the π-backbonding (E→L) stabilization energy. The validity of the suggested resonance model is further confirmed by the complementary MPD calculations focusing on the E lone pair region as well as the E-L bonding region. Likewise, the MPD method reveals a strong influence of the σ-donating and π-accepting properties of the ligand. In particular, either one single domain or two symmetrical domains are found in the lone pair region of the central atom, supporting the predominance of either the "ylidene" or "ylidone" structures having one or two lone pairs at the central atom, respectively. Furthermore, the calculated average populations in the lone pair MPDs correlate very well with the natural bond orbital (NBO) populations, and can be related to the average number of electrons that is backdonated to the ligands. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Bellucci, Michael A; Coker, David F
2011-07-28
We describe a new method for constructing empirical valence bond potential energy surfaces using a parallel multilevel genetic program (PMLGP). Genetic programs can be used to perform an efficient search through function space and parameter space to find the best functions and sets of parameters that fit energies obtained by ab initio electronic structure calculations. Building on the traditional genetic program approach, the PMLGP utilizes a hierarchy of genetic programming on two different levels. The lower level genetic programs are used to optimize coevolving populations in parallel while the higher level genetic program (HLGP) is used to optimize the genetic operator probabilities of the lower level genetic programs. The HLGP allows the algorithm to dynamically learn the mutation or combination of mutations that most effectively increase the fitness of the populations, causing a significant increase in the algorithm's accuracy and efficiency. The algorithm's accuracy and efficiency is tested against a standard parallel genetic program with a variety of one-dimensional test cases. Subsequently, the PMLGP is utilized to obtain an accurate empirical valence bond model for proton transfer in 3-hydroxy-gamma-pyrone in gas phase and protic solvent. © 2011 American Institute of Physics
Chen, Zhenhua; Chen, Xun; Wu, Wei
2013-04-01
In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.
27 CFR 19.245 - Bonds and penal sums of bonds.
2010-04-01
...) Distiller The amount of tax on spirits produced during a period of 15 days $5,000 $100,000 (ii) Warehouseman... gallons ......do 5,000 50,000 (iii) Distiller and warehouseman The amount of tax on spirits produced... transit to bonded premises 10,000 200,000 (iv) Distiller and processor The amount of tax on spirits...
Jacobsen, J L; Saleur, H
2008-02-29
We determine exactly the probability distribution of the number N_(c) of valence bonds connecting a subsystem of length L>1 to the rest of the system in the ground state of the XXX antiferromagnetic spin chain. This provides, in particular, the asymptotic behavior of the valence-bond entanglement entropy S_(VB)=N_(c)ln2=4ln2/pi(2)lnL disproving a recent conjecture that this should be related with the von Neumann entropy, and thus equal to 1/3lnL. Our results generalize to the Q-state Potts model.
Gao, Jian; Chu, Geng; He, Meng; Zhang, Shu; Xiao, RuiJuan; Li, Hong; Chen, LiQuan
2014-08-01
Inorganic solid electrolytes have distinguished advantages in terms of safety and stability, and are promising to substitute for conventional organic liquid electrolytes. However, low ionic conductivity of typical candidates is the key problem. As connective diffusion path is the prerequisite for high performance, we screen for possible solid electrolytes from the 2004 International Centre for Diffraction Data (ICDD) database by calculating conduction pathways using Bond Valence (BV) method. There are 109846 inorganic crystals in the 2004 ICDD database, and 5295 of them contain lithium. Except for those with toxic, radioactive, rare, or variable valence elements, 1380 materials are candidates for solid electrolytes. The rationality of the BV method is approved by comparing the existing solid electrolytes' conduction pathways we had calculated with those from experiments or first principle calculations. The implication for doping and substitution, two important ways to improve the conductivity, is also discussed. Among them Li2CO3 is selected for a detailed comparison, and the pathway is reproduced well with that based on the density functional studies. To reveal the correlation between connectivity of pathways and conductivity, α/ γ-LiAlO2 and Li2CO3 are investigated by the impedance spectrum as an example, and many experimental and theoretical studies are in process to indicate the relationship between property and structure. The BV method can calculate one material within a few minutes, providing an efficient way to lock onto targets from abundant data, and to investigate the structure-property relationship systematically.
Valence-bond theory of linear Hubbard and Pariser-Parr-Pople models
Soos, Z. G.; Ramasesha, S.
1984-05-01
The ground and low-lying states of finite quantum-cell models with one state per site are obtained exactly through a real-space basis of valence-bond (VB) diagrams that explicitly conserve the total spin. Regular and alternating Hubbard and Pariser-Parr-Pople (PPP) chains and rings with Ne electrons on N(PPP models, but differ from mean-field results. Molecular PPP parameters describe well the excitations of finite polyenes, odd polyene ions, linear cyanine dyes, and slightly overestimate the absorption peaks in polyacetylene (CH)x. Molecular correlations contrast sharply with uncorrelated descriptions of topological solitons, which are modeled by regular polyene radicals and their ions for both wide and narrow alternation crossovers. Neutral solitons have no midgap absorption and negative spin densities, while the intensity of the in-gap excitation of charged solitons is not enhanced. The properties of correlated states in quantum-cell models with one valence state per site are discussed in the adiabatic limit for excited-state geometries and instabilities to dimerization.
Entanglement of the valence-bond-solid state on an arbitrary graph
International Nuclear Information System (INIS)
Xu Ying; Korepin, Vladimir E
2008-01-01
The Affleck-Kennedy-Lieb-Tasaki (AKLT) spin interacting model can be defined on an arbitrary graph. We explain the construction of the AKLT Hamiltonian. Given certain conditions, the ground state is unique and known as the valence-bond-solid (VBS) state. It can be used in measurement-based quantum computation as a resource state instead of the cluster state. We study the VBS ground state on an arbitrary connected graph. The graph is cut into two disconnected parts: the block and the environment. We study the entanglement between these two parts and prove that many eigenvalues of the density matrix of the block are zero. We describe a subspace of eigenvectors of the density matrix corresponding to non-zero eigenvalues. The subspace is the degenerate ground states of some Hamiltonian which we call the block Hamiltonian
A Definition of the Magnetic Transition Temperature Using Valence Bond Theory.
Jornet-Somoza, Joaquim; Deumal, Mercè; Borge, Juan; Robb, Michael A
2018-03-01
Macroscopic magnetic properties are analyzed using Valence Bond theory. Commonly the critical temperature T C for magnetic systems is associated with a maximum in the energy-based heat capacity C p (T). Here a more broadly applicable definition of the magnetic transition temperature T C is described using the spin moment expectation value (i.e., applying the spin exchange density operator) instead of energy. Namely, the magnetic capacity C s (T) reflects variation in the spin multiplicity as a function of temperature, which is shown to be related to ∂[χT(T)]/∂T. Magnetic capacity C s (T) depends on long-range spin interactions that are not relevant in the energy-based heat capacity C p (T). Differences between C s (T) and C p (T) are shown to be due to spin order/disorder within the crystal that can be monitored via a Valence Bond analysis of the corresponding magnetic wave function. Indeed the concept of the Boltzmann spin-alignment order is used to provide information about the spin correlation between magnetic units. As a final illustration, the critical temperature is derived from the magnetic capacity for several molecular magnets presenting different magnetic topologies that have been experimentally studied. A systematic shift between the transition temperatures associated with C s (T) and C p (T) is observed. It is demonstrated that this shift can be attributed to the loss of long-range spin correlation. This suggests that the magnetic capacity C s (T) can be used as a predictive tool for the magnetic topology and thus for the synthetic chemists.
Block correlated second order perturbation theory with a generalized valence bond reference function
International Nuclear Information System (INIS)
Xu, Enhua; Li, Shuhua
2013-01-01
The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a “multi-orbital” block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Møller–Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods
Xu, Enhua; Li, Shuhua
2013-11-07
The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a "multi-orbital" block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Mo̸ller-Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods.
International Nuclear Information System (INIS)
Kostikova, G.P.; Kostikov, Yu.P.; Korol'kov, D.V.
1986-01-01
An analysis of x-ray photoelectron spectra leads to a simple and consistent conception in the theory of chemical bonding, which satisfies (unlike the simple MO-LCAO theory) the virial theorem and defines the roles of the core and valence atomic orbitals in the formation of chemical bonds. Its essence is clear from the foregoing: the exothermic effects of the formation of complexes are caused by the lowering of the energies of the core levels of the central atoms with simultaneous small changes in the energies of the core levels of the ligands despite the significant destabilization of the delocalized valence MO's in comparison to the orbital energies of the corresponding free atoms. In order to confirm these ideas, they recorded the x-ray photoelectron spectra of the valence region and the inner levels of single-crystal silicon carbide, silicon, and graphite
Ralko, Arnaud; Mila, Frédéric; Rousochatzakis, Ioannis
2018-03-01
The spin-1/2 Heisenberg model on the kagome lattice, which is closely realized in layered Mott insulators such as ZnCu3(OH) 6Cl2 , is one of the oldest and most enigmatic spin-1/2 lattice models. While the numerical evidence has accumulated in favor of a quantum spin liquid, the debate is still open as to whether it is a Z2 spin liquid with very short-range correlations (some kind of resonating valence bond spin liquid), or an algebraic spin liquid with power-law correlations. To address this issue, we have pushed the program started by Rokhsar and Kivelson in their derivation of the effective quantum dimer model description of Heisenberg models to unprecedented accuracy for the spin-1/2 kagome, by including all the most important virtual singlet contributions on top of the orthogonalization of the nearest-neighbor valence bond singlet basis. Quite remarkably, the resulting picture is a competition between a Z2 spin liquid and a diamond valence bond crystal with a 12-site unit cell, as in the density-matrix renormalization group simulations of Yan et al. Furthermore, we found that, on cylinders of finite diameter d , there is a transition between the Z2 spin liquid at small d and the diamond valence bond crystal at large d , the prediction of the present microscopic description for the two-dimensional lattice. These results show that, if the ground state of the spin-1/2 kagome antiferromagnet can be described by nearest-neighbor singlet dimers, it is a diamond valence bond crystal, and, a contrario, that, if the system is a quantum spin liquid, it has to involve long-range singlets, consistent with the algebraic spin liquid scenario.
Structural and magnetic properties of Ba2LuMoO6: a valence bond glass.
Coomer, Fiona C; Cussen, Edmund J
2013-02-27
We report here the synthesis of the site ordered double perovskite Ba(2)LuMoO(6). Rietveld refinement of room temperature powder x-ray diffraction measurements indicates that it crystallizes in the cubic space group Fm3m, with a = 8.3265(1) Å. Powder neutron diffraction data indicate that, unusually, this cubic symmetry is maintained down to 2 K, with [Formula: see text], Mo(5+) ions situated on the frustrated face-centred cubic lattice. Despite dc-susceptibility measurements showing Curie-Weiss behaviour with strong antiferromagnetic interactions at T ≥ 200 K, there is no evidence of long range magnetic ordering at 2 K. At T ≤ 50 K, susceptibility measurements indicate a loss in moment to ∼18% of the expected value, and there is a corresponding loss in the magnitude of the magnetic exchange. The structural and magnetic properties of this compound are compared with the related compound Ba(2)YMoO(6), which is a valence bond glass.
Gani, Terry Z H; Kulik, Heather J
2017-11-14
Accurate predictions of spin-state ordering, reaction energetics, and barrier heights are critical for the computational discovery of open-shell transition-metal (TM) catalysts. Semilocal approximations in density functional theory, such as the generalized gradient approximation (GGA), suffer from delocalization error that causes them to overstabilize strongly bonded states. Descriptions of energetics and bonding are often improved by introducing a fraction of exact exchange (e.g., erroneous low-spin GGA ground states are instead correctly predicted as high-spin with a hybrid functional). The degree of spin-splitting sensitivity to exchange can be understood based on the chemical composition of the complex, but the effect of exchange on reaction energetics within a single spin state is less well-established. Across a number of model iron complexes, we observe strong exchange sensitivities of reaction barriers and energies that are of the same magnitude as those for spin splitting energies. We rationalize trends in both reaction and spin energetics by introducing a measure of delocalization, the bond valence of the metal-ligand bonds in each complex. The bond valence thus represents a simple-to-compute property that unifies understanding of exchange sensitivity for catalytic properties and spin-state ordering in TM complexes. Close agreement of the resulting per-metal-organic-bond sensitivity estimates, together with failure of alternative descriptors demonstrates the utility of the bond valence as a robust descriptor of how differences in metal-ligand delocalization produce differing relative energetics with exchange tuning. Our unified description explains the overall effect of exact exchange tuning on the paradigmatic two-state FeO + /CH 4 reaction that combines challenges of spin-state and reactivity predictions. This new descriptor-sensitivity relationship provides a path to quantifying how predictions in transition-metal complex screening are sensitive to the
Takeshita, Tyler Y; Lindquist, Beth A; Dunning, Thom H
2015-07-16
There are many well-known differences in the physical and chemical properties of ozone (O3) and sulfur dioxide (SO2). O3 has longer and weaker bonds than O2, whereas SO2 has shorter and stronger bonds than SO. The O-O2 bond is dramatically weaker than the O-SO bond, and the singlet-triplet gap in SO2 is more than double that in O3. In addition, O3 is a very reactive species, while SO2 is far less so. These disparities have been attributed to variations in the amount of diradical character in the two molecules. In this work, we use generalized valence bond (GVB) theory to characterize the electronic structure of ozone and sulfur dioxide, showing O3 does indeed possess significant diradical character, whereas SO2 is effectively a closed shell molecule. The GVB results provide critical insights into the genesis of the observed difference in these two isoelectronic species. SO2 possesses a recoupled pair bond dyad in the a"(π) system, resulting in SO double bonds. The π system of O3, on the other hand, has a lone pair on the central oxygen atom plus a pair of electrons in orbitals on the terminal oxygen atoms that give rise to a relatively weak π interaction.
Institute of Scientific and Technical Information of China (English)
无
2010-01-01
The valence electron structure (VES) of RuB2 and OsB2 were calculated by the empirical electron theory (EET) of solids and molecules and compared with the results derived from the first-principles calculations. The distributions of covalent electrons in different bonds indicate that B-B and B-Me have remarkably covalent bonding characters. Lattice electrons cruising around Me-Me layers are found to have great influences on electronic conductivity and high temperature plasticity. The ultra-high values of elastic constant Cn in the two compounds originate from close-packed covalent bonding along the c axis. Uneven bond strengths and distributions of covalent bonds, especially for B-Afe bonds, yield significant anisotropy. Low ratios of lattice electrons to covalent electrons suggest the intrinsic embrittlement in crystals. The fact that the calculated cohesive energies well agree with experimental results demonstrates the good suitability of the EET calculations in estimating cohesive energy for transition-metal borides.
Lindquist, Beth A; Takeshita, Tyler Y; Dunning, Thom H
2016-05-05
Ozone (O3) and sulfur dioxide (SO2) are valence isoelectronic species, yet their properties and reactivities differ dramatically. In particular, O3 is highly reactive, whereas SO2 is chemically relatively stable. In this paper, we investigate serial addition of hydrogen atoms to both the terminal atoms of O3 and SO2 and to the central atom of these species. It is well-known that the terminal atoms of O3 are much more amenable to bond formation than those of SO2. We show that the differences in the electronic structure of the π systems in the parent triatomic species account for the differences in the addition of hydrogen atoms to the terminal atoms of O3 and SO2. Further, we find that the π system in SO2, which is a recoupled pair bond dyad, facilitates the addition of hydrogen atoms to the sulfur atom, resulting in stable HSO2 and H2SO2 species.
Kekulé-based Valence Bond Model.I. The Ground-state Properties of Conjugated π-Systems
Institute of Scientific and Technical Information of China (English)
LI,Shu-Hua(黎书华); MA,Jing(马晶); JIANG,Yuan-Sheng(江元生)
2002-01-01
The Kekulé-based valence bond ( VB ) method, in which the VB model is solved using covalent Kekulé structures as basis functions, is justified in the present work. This method is dimonstrated to provide satisfactory descriptions for resoance energies and bond ang lengths of benzenoid hydrocarbons, being in good agreement with SCF-MO and experimental results. In additicn, an alternative way of discyssing characters of localizedsubstructures within a polyclic benzenoid system is suggested based upon such sunokufied VB calculations. Finally,the symmetries of VB ground states for nonalternant conjugated systems are also illustrated to be obtainable through these calculations, presenting very useful information for understanding the chemical behaviors of some nonalternant conjugated molecules.
Valence bond solids for SU(n) spin chains: Exact models, spinon confinement, and the Haldane gap
International Nuclear Information System (INIS)
Greiter, Martin; Rachel, Stephan
2007-01-01
To begin with, we introduce several exact models for SU(3) spin chains: First is a translationally invariant parent Hamiltonian involving four-site interactions for the trimer chain, with a threefold degenerate ground state. We provide numerical evidence that the elementary excitations of this model transform under representation 3 of SU(3) if the original spins of the model transform under representation 3. Second is a family of parent Hamiltonians for valence bond solids of SU(3) chains with spin representations 6, 10, and 8 on each lattice site. We argue that of these three models, only the latter two exhibit spinon confinement and, hence, a Haldane gap in the excitation spectrum. We generalize some of our models to SU(n). Finally, we use the emerging rules for the construction of valence bond solid states to argue that models of antiferromagnetic chains of SU(n) spins, in general, possess a Haldane gap if the spins transform under a representation corresponding to a Young tableau consisting of a number of boxes λ which is divisible by n. If λ and n have no common divisor, the spin chain will support deconfined spinons and not exhibit a Haldane gap. If λ and n have a common divisor different from n, it will depend on the specifics of the model including the range of the interaction
Energy Technology Data Exchange (ETDEWEB)
Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Yanagisawa, Susumu; Kadekawa, Yukihiro [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, 1 Senbaru, Nishihara, Okinawa 903-0213 (Japan)
2014-02-14
By means of the first-principles density-functional theory, we investigate the effect of relative atom displacement in the crystal unit cell, namely, internal strain on the valence-band dispersion of strained silicon, and find close correlation of this effect with variation in the specific bond angles due to internal strain. We consider the [111] ([110]) band dispersion for (111) ((110)) biaxial tensility and [111] ([110]) uniaxial compression, because remarkably small values of hole effective mass m* can be obtained in this dispersion. Under the practical condition of no normal stress, biaxial tensility (uniaxial compression) involves additional normal compression (tensility) and internal strain. With an increase in the internal-strain parameter, the energy separation between the highest and second-highest valence bands becomes strikingly larger, and the highest band with conspicuously small m* extends remarkably down to a lower energy region, until it intersects or becomes admixed with the second band. This is closely correlated with the change in the specific bond angles, and this change can reasonably explain the above enlargement of the band separation.
The Valency Theory: The Human Bond From A New Psychoanalytic Perspective
Med Hafsi
2008-01-01
The present paper discusses some psychoanalytical conceptions concerning what links people to each other, or the human bond. Psychoanalysis, can be regarded as a science dealing basically with, although not directly, the human bond or link linking the person with his external and internal objects. The fact that this bond is in perpetualtransformation, and therefore can be apprehended from different angles has led to various psychoanalytical conceptions or theories which are more complementary...
Magnuson, Martin; Schmidt, Susann; Hultman, Lars; Högberg, Hans
2017-11-01
The electronic structure and chemical bonding in reactively magnetron sputtered Zr Hx (x =0.15 , 0.30, 1.16) thin films with oxygen content as low as 0.2 at.% are investigated by 4d valence band, shallow 4p core-level, and 3d core-level x-ray photoelectron spectroscopy. With increasing hydrogen content, we observe significant reduction of the 4d valence states close to the Fermi level as a result of redistribution of intensity toward the H 1s-Zr 4d hybridization region at ˜6 eV below the Fermi level. For low hydrogen content (x =0.15 , 0.30), the films consist of a superposition of hexagonal closest-packed metal (α phase) and understoichiometric δ -Zr Hx (Ca F2 -type structure) phases, while for x =1.16 , the films form single-phase Zr Hx that largely resembles that of stoichiometric δ -Zr H2 phase. We show that the cubic δ -Zr Hx phase is metastable as thin film up to x =1.16 , while for higher H contents the structure is predicted to be tetragonally distorted. For the investigated Zr H1.16 film, we find chemical shifts of 0.68 and 0.51 eV toward higher binding energies for the Zr 4 p3 /2 and 3 d5 /2 peak positions, respectively. Compared to the Zr metal binding energies of 27.26 and 178.87 eV, this signifies a charge transfer from Zr to H atoms. The change in the electronic structure, spectral line shapes, and chemical shifts as a function of hydrogen content is discussed in relation to the charge transfer from Zr to H that affects the conductivity by charge redistribution in the valence band.
Paldus, J.; Li, X.
1992-10-01
Following a brief outline of various developments and exploitations of the unitary group approach (UGA), and its extension referred to as Clifford algebra UGA (CAUGA), in molecular electronic structure calculations, we present a summary of a recently introduced implementation of CAUGA for the valence bond (VB) method based on the Pariser-Parr-Pople (PPP)-type Hamiltonian. The existing applications of this PPP-VB approach have been limited to groundstates of various π-electron systems or, at any rate, to the lowest states of a given multiplicity. In this paper the method is applied to the low-lying excited states of several archetypal models, namely cyclobutadiene and benzene, representing antiaromatic and aromatic systems, hexatriene, representing linear polyenic systems and, finally, naphthalene, representing polyacenes.
Low-temperature spin dynamics of a valence bond glass in Ba2YMoO6
International Nuclear Information System (INIS)
De Vries, M A; Piatek, J O; Rønnow, H M; Misek, M; Lord, J S; Bos, J-W G
2013-01-01
We carried out ac magnetic susceptibility measurements and muon spin relaxation spectroscopy on the cubic double perovskite Ba 2 YMoO 6 , down to 50 mK. Below ∼1 K the muon relaxation is typical of a magnetic insulator with a spin-liquid type ground state, i.e. without broken symmetries or frozen moments. However, the ac susceptibility revealed a dilute-spin-glass-like transition below ∼1 K. Antiferromagnetically coupled Mo 5+ 4d 1 electrons in triply degenerate t 2g orbitals are in this material arranged in a geometrically frustrated fcc lattice. Bulk magnetic susceptibility data has previously been interpreted in terms of a freezing to a heterogeneous state with non-magnetic sites where 4d 1 electrons have paired in spin-singlets dimers, and residual unpaired Mo 5+ 4d 1 electron spins. Based on the magnetic heat capacity data it has been suggested that this heterogeneity is the result of kinetic constraints intrinsic to the physics of the pure system (possibly due to topological overprotection) leading to a self-induced glass of valence bonds between neighbouring 4d 1 electrons. The muon spin relaxation (μSR) unambiguously points to a heterogeneous state with a static arrangement of unpaired electrons in a background of (valence bond) dimers between the majority of Mo 5+ 4d electrons. The ac susceptibility data indicate that the residual magnetic moments freeze into a dilute-spin-glass-like state. This is in apparent contradiction with the muon-spin decoupling at 50 mK in fields up to 200 mT, which indicates that, remarkably, the time scale of the field fluctuations from the residual moments is ∼5 ns. Comparable behaviour has been observed in other geometrically frustrated magnets with spin-liquid-like behaviour and the implications of our observations on Ba 2 YMoO 6 are discussed in this context. (paper)
Low-temperature spin dynamics of a valence bond glass in Ba2YMoO6
de Vries, M. A.; Piatek, J. O.; Misek, M.; Lord, J. S.; Rønnow, H. M.; Bos, J.-W. G.
2013-04-01
We carried out ac magnetic susceptibility measurements and muon spin relaxation spectroscopy on the cubic double perovskite Ba2YMoO6, down to 50 mK. Below ∼1 K the muon relaxation is typical of a magnetic insulator with a spin-liquid type ground state, i.e. without broken symmetries or frozen moments. However, the ac susceptibility revealed a dilute-spin-glass-like transition below ∼1 K. Antiferromagnetically coupled Mo5+ 4d1 electrons in triply degenerate t2g orbitals are in this material arranged in a geometrically frustrated fcc lattice. Bulk magnetic susceptibility data has previously been interpreted in terms of a freezing to a heterogeneous state with non-magnetic sites where 4d1 electrons have paired in spin-singlets dimers, and residual unpaired Mo5+ 4d1 electron spins. Based on the magnetic heat capacity data it has been suggested that this heterogeneity is the result of kinetic constraints intrinsic to the physics of the pure system (possibly due to topological overprotection) leading to a self-induced glass of valence bonds between neighbouring 4d1 electrons. The muon spin relaxation (μSR) unambiguously points to a heterogeneous state with a static arrangement of unpaired electrons in a background of (valence bond) dimers between the majority of Mo5+ 4d electrons. The ac susceptibility data indicate that the residual magnetic moments freeze into a dilute-spin-glass-like state. This is in apparent contradiction with the muon-spin decoupling at 50 mK in fields up to 200 mT, which indicates that, remarkably, the time scale of the field fluctuations from the residual moments is ∼5 ns. Comparable behaviour has been observed in other geometrically frustrated magnets with spin-liquid-like behaviour and the implications of our observations on Ba2YMoO6 are discussed in this context.
Energy Technology Data Exchange (ETDEWEB)
Raiteri, Paolo; Gale, Julian D [Nanochemistry Research Institute, Department of Chemistry, Curtin University, GPO Box 1987, Perth, WA 6845 (Australia); Bussi, Giovanni, E-mail: paolo@ivec.org, E-mail: julian@ivec.org [Scuola Internazionale Superiore di Studi Avanzati (SISSA), Via Bonomea 265, 34136 Trieste (Italy)
2011-08-24
A new reactive force field to describe proton diffusion within the solid oxide fuel cell material BaZrO{sub 3} has been derived. Using a quantum mechanical potential energy surface, the parameters of an interatomic potential model to describe hydroxyl groups within both pure and yttrium-doped BaZrO{sub 3} have been determined. Reactivity is then incorporated through the use of the empirical valence bond model. Molecular dynamics simulations (EVB-MD) have been performed to explore the diffusion of hydrogen using a stochastic thermostat and barostat whose equations are extended to the isostress-isothermal ensemble. In the low concentration limit, the presence of yttrium is found not to significantly influence the diffusivity of hydrogen, despite the proton having a longer residence time at oxygen adjacent to the dopant. This lack of influence is due to the fact that trapping occurs infrequently, even when the proton diffuses through octahedra adjacent to the dopant. The activation energy for diffusion is found to be 0.42 eV, in good agreement with experimental values, though the prefactor is slightly underestimated.
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
Oanca, Gabriel; Stare, Jernej; Mavri, Janez
2017-12-01
This work scrutinizes kinetics of decomposition of adrenaline catalyzed by monoamine oxidase (MAO) A and B enzymes, a process controlling the levels of adrenaline in the central nervous system and other tissues. Experimental kinetic data for MAO A and B catalyzed decomposition of adrenaline are reported only in the form of the maximum reaction rate. Therefore, we estimated the experimental free energy barriers form the kinetic data of closely related systems using regression method, as was done in our previous study. By using multiscale simulation on the Empirical Valence Bond (EVB) level, we studied the chemical reactivity of the MAO A catalyzed decomposition of adrenaline and we obtained a value of activation free energy of 17.3 ± 0.4 kcal/mol. The corresponding value for MAO B is 15.7 ± 0.7 kcal/mol. Both values are in good agreement with the estimated experimental barriers of 16.6 and 16.0 kcal/mol for MAO A and MAO B, respectively. The fact that we reproduced the kinetic data and preferential catalytic effect of MAO B over MAO A gives additional support to the validity of the proposed hydride transfer mechanism. Furthermore, we demonstrate that adrenaline is preferably involved in the reaction in a neutral rather than in a protonated form due to considerably higher barriers computed for the protonated adrenaline substrate. The results are discussed in the context of chemical mechanism of MAO enzymes and possible applications of multiscale simulation to rationalize the effects of MAO activity on adrenaline level. © 2017 Wiley Periodicals, Inc.
International Nuclear Information System (INIS)
Schneider, Jochen M.; Music, Denis; Sun Zhimei
2005-01-01
We have studied the effect of the valence electron concentration, on the bulk modulus and the chemical bonding in Ta 2 AC and Zr 2 AC (A=Al, Si, and P) by means of ab initio calculations. Our equilibrium volume and the hexagonal ratio (c/a) agree well (within 2.7% and 1.2%, respectively) with previously published experimental data for Ta 2 AlC. The bulk moduli of both Ta 2 AC and Zr 2 AC increase as Al is substituted with Si and P by 13.1% and 20.1%, respectively. This can be understood since the substitution is associated with an increased valence electron concentration, resulting in band filling and an extensive increase in cohesion
Xu, Lu T; Dunning, Thom H
2015-06-09
The ground state, X1Σg+, of N2 is a textbook example of a molecule with a triple bond consisting of one σ and two π bonds. This assignment, which is usually rationalized using molecular orbital (MO) theory, implicitly assumes that the spins of the three pairs of electrons involved in the bonds are singlet-coupled (perfect pairing). However, for a six-electron singlet state, there are five distinct ways to couple the electron spins. The generalized valence bond (GVB) wave function lifts this restriction, including all of the five spin functions for the six electrons involved in the bond. For N2, we find that the perfect pairing spin function is indeed dominant at Re but that it becomes progressively less so from N2 to P2 and As2. Although the perfect pairing spin function is still the most important spin function in P2, the importance of a quasi-atomic spin function, which singlet couples the spins of the electrons in the σ orbitals while high spin coupling those of the electrons in the π orbitals on each center, has significantly increased relative to N2 and, in As2, the perfect pairing and quasi-atomic spin couplings are on essentially the same footing. This change in the spin coupling of the electrons in the bonding orbitals down the periodic table may contribute to the rather dramatic decrease in the strengths of the Pn2 bonds from N2 to As2 as well as in the increase in their chemical reactivity and should be taken into account in more detailed analyses of the bond energies in these species. We also compare the spin coupling in N2 with that in C2, where the quasi-atomic spin coupling dominants around Re.
Ando, Koji
2018-03-01
A model of localized electron wave packets (EWPs), floating and breathing Gaussians with non-orthogonal valence-bond spin-coupling, is applied to compute the high-harmonic generation (HHG) spectrum from a LiH molecule induced by an intense laser pulse. The characteristic features of the spectrum, a plateau up to 50 harmonic-order and a cutoff, agreed well with those from the previous time-dependent complete active-space self-consistent-field calculation [T. Sato and K. L. Ishikawa, Phys. Rev. A 91, 023417 (2015)]. In contrast to the conventional molecular orbital picture in which the Li 2s and H 1s atomic orbitals are strongly mixed, the present calculation indicates that an incoherent sum of responses of single electrons reproduces the HHG spectrum, in which the contribution from the H 1s electron dominates the plateau and cutoff, whereas the Li 2s electron contributes to the lower frequency response. The results are comprehensive in terms of the shapes of single-electron potential energy curves constructed from the localized EWP model.
Benderskii, Alexander; Bordenyuk, Andrey; Weeraman, Champika
2006-03-01
The recently developed spectrally- and time-resolved Sum Frequency Generation (STiR-SFG) is a surface-selective 3-wave mixing (IR+visible) spectroscopic technique capable of measuring ultrafast spectral evolution of vibrational coherences. A detailed description of this measurement will be presented, and a noniterative method or deconvolving the laser pulses will be introduced to obtain the molecular response function. STiR-SFG, combined with the frequency-domain SFG spectroscopy, was applied to study hydrogen bonding dynamics at aqueous interfaces (D2O/CaF2). Spectral dynamics of the OD-stretch on the 50-150 fs time scale provides real-time observation of ultrafast H-bond rearrangement. Tuning the IR wavelength to the blue or red side of the OD-stretch transition, we selectively monitor the dynamics of different sub-ensembles in the distribution of the H-bond structures. The blue-side excitation (weaker H-bonding) shows monotonic red-shift of the OD-frequency. In contrast, the red-side excitation (stronger H-bonding structures) produces a blue-shift and a recursion, which may indicate the presence of an underdamped intermolecular mode of interfacial water. Effect of electrolyte concentration on the H-bond dynamics will be discussed.
Isaksen, Geir Villy; Andberg, Tor Arne Heim; Åqvist, Johan; Brandsdal, Bjørn Olav
2015-07-01
Structural information and activity data has increased rapidly for many protein targets during the last decades. In this paper, we present a high-throughput interface (Qgui) for automated free energy and empirical valence bond (EVB) calculations that use molecular dynamics (MD) simulations for conformational sampling. Applications to ligand binding using both the linear interaction energy (LIE) method and the free energy perturbation (FEP) technique are given using the estrogen receptor (ERα) as a model system. Examples of free energy profiles obtained using the EVB method for the rate-limiting step of the enzymatic reaction catalyzed by trypsin are also shown. In addition, we present calculation of high-precision Arrhenius plots to obtain the thermodynamic activation enthalpy and entropy with Qgui from running a large number of EVB simulations. Copyright © 2015 Elsevier Inc. All rights reserved.
Small, David W; Head-Gordon, Martin
2017-07-14
The Coupled Cluster Valence Bond (CCVB) method, previously presented for closed-shell (CS) systems, is extended to open-shell (OS) systems. The theoretical development is based on embedding the basic OS CCVB wavefunction in a fictitious singlet super-system. This approach reveals that the OS CCVB amplitude equations are quite similar to those of CS CCVB, and thus that OS CCVB requires the same level of computational effort as CS CCVB, which is an inexpensive method. We present qualitatively correct CCVB potential energy curves for all low-lying spin states of P 2 and Mn 2 + . CCVB is successfully applied to the low-lying spin states of some model linear polycarbenes, systems that appear to be a hindrance to standard density functionals. We examine an octa-carbene dimer in a side-by-side orientation, which, in the monomer dissociation limit, exhibits maximal strong correlation over the length of the polycarbene.
Valency and molecular structure
Cartmell, E
1977-01-01
Valency and Molecular Structure, Fourth Edition provides a comprehensive historical background and experimental foundations of theories and methods relating to valency and molecular structures. In this edition, the chapter on Bohr theory has been removed while some sections, such as structures of crystalline solids, have been expanded. Details of structures have also been revised and extended using the best available values for bond lengths and bond angles. Recent developments are mostly noted in the chapter on complex compounds, while a new chapter has been added to serve as an introduction t
Wooles, Ashley J; Mills, David P; Tuna, Floriana; McInnes, Eric J L; Law, Gareth T W; Fuller, Adam J; Kremer, Felipe; Ridgway, Mark; Lewis, William; Gagliardi, Laura; Vlaisavljevich, Bess; Liddle, Stephen T
2018-05-29
Despite the fact that non-aqueous uranium chemistry is over 60 years old, most polarised-covalent uranium-element multiple bonds involve formal uranium oxidation states IV, V, and VI. The paucity of uranium(III) congeners is because, in common with metal-ligand multiple bonding generally, such linkages involve strongly donating, charge-loaded ligands that bind best to electron-poor metals and inherently promote disproportionation of uranium(III). Here, we report the synthesis of hexauranium-methanediide nanometre-scale rings. Combined experimental and computational studies suggest overall the presence of formal uranium(III) and (IV) ions, though electron delocalisation in this Kramers system cannot be definitively ruled out, and the resulting polarised-covalent U = C bonds are supported by iodide and δ-bonded arene bridges. The arenes provide reservoirs that accommodate charge, thus avoiding inter-electronic repulsion that would destabilise these low oxidation state metal-ligand multiple bonds. Using arenes as electronic buffers could constitute a general synthetic strategy by which to stabilise otherwise inherently unstable metal-ligand linkages.
Anbalagan, Kousika; Thomas, Tiju
2018-05-01
Interatomic potentials for complex materials (like ceramic systems) are important for realistic molecular dynamics (MD) simulations. Such simulations are relevant for understanding equilibrium, transport and dynamical properties of materials, especially in the nanoregime. Here we derive a hybrid interatomic potential (based on bond valence (BV) derived Morse and Coulomb terms), for modeling a complex ceramic, barium tantalum oxynitride (BaTaO2N). This material has been chosen due to its relevance for capacitive and photoactive applications. However, the material presents processing challenges such as the emergence of non-stoichiometric phases during processing, demonstrating complex processing-property correlations. This makes MD investigations of this material both scientifically and technologically relevant. The BV based hybrid potential presented here has been used for simulating sintering of BaTaO2N nanoparticles ( 2-20 nm) under different conditions (using the relevant canonical ensemble). Notably, we show that sintering of particles of diameter 10 nm in size results in the formation of a cluster of tantalum and oxygen atoms at the interface of the BaTaO2N particles. This is in agreement with the experimental reports. The results presented here suggest that the potential proposed can be used to explore dynamical properties of BaTaO2N and related systems. This work will also open avenues for development of nanoscience-enabled aid-free sintering approaches to this and related materials.
Crossover and valence band Kβ X-rays of chromium oxides
International Nuclear Information System (INIS)
Fazinic, Stjepko; Mandic, Luka; Kavcic, Matjaz; Bozicevic, Iva
2011-01-01
Kβ X-ray spectra of chromium metal and selected chromium oxides were measured twice using medium resolution flat crystal spectrometer and high resolution spectrometer employing Johansson geometry after excitation with 2 MeV proton beams. The positions and intensities of crossover (Kβ'') and valence (Kβ 2,5 ) band X-rays relative to the primary Kβ X-ray components were extracted in a consistent way. The results were compared with the existing data obtained by proton and photon induced ionization mechanisms and theoretical predictions. The obtained results in peak relative positions and intensities were analyzed in order to study dependence on the chromium oxidation states and chromium-oxygen bond lengths in selected chromium oxides. Our results obtained by both spectrometers confirm that the linear trend observed for the valence peak relative energy shift as a function of chromium oxidation number does not depend on the experimental resolution. Experimental results for normalized intensities (i.e. relative intensities divided with the number of chromium-oxygen pairs) of crossover and valence band X-rays obtained by both spectrometers are in very good agreement, and follow exponential relationship with the average Cr-O bond lengths in corresponding chromium oxides. The observed trends in crossover and valence X-rays normalized intensities could be used to measure the average chromium-oxygen bond length in various chromium oxides, with the sum of both crossover and valence X-ray normalized intensities being the most sensitive measure.
International Nuclear Information System (INIS)
Jackson, A.D.; Weiss, C.; Wirzba, A.
1990-01-01
The Skyrme model has the same high density behavior as a free quark gas. However, the inclusion of higher-order terms spoils this agreement. We consider the all-order sum of a class of chiral invariant Lagrangians of even order in L μ suggested by Marleau. We prove Marleau's conjecture that these terms are of second order in the derivatives of the chiral angle for the hedgehog case and show the terms are unique under the additional condition that, for each order, the identity map on the 3-sphere S 3 (L) is a solution. The general form of the summation can be restricted by physical constraints leading to stable results. Under the assumption that the Lagrangian scales like the non-linear sigma model at low densities and like the free quark gas at high densities, we prove that a chiral phase transition must occur. (orig.)
Directory of Open Access Journals (Sweden)
Vera eShuman
2013-05-01
Full Text Available The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010, qualitatively different types of valence are proposed based on appraisals of (unpleasantness, goal obstructiveness/conduciveness, low or high power, self- (incongruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative common currency to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro to valence at another level (macro, leading to new hypotheses and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation.
Shuman, Vera; Sander, David; Scherer, Klaus R.
2013-01-01
The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010), qualitatively different types of valence are proposed based on appraisals of (un)pleasantness, goal obstructiveness/conduciveness, low or high power, self-(in)congruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative “common currency” to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro) to valence at another level (macro), leading to new hypotheses, and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation. PMID:23717292
Nowak, Jeremy A; Weber, Robert J; Goldstein, Allen H
2018-03-12
The ability to structurally characterize and isomerically quantify crude oil hydrocarbons relevant to refined fuels such as motor oil, diesel, and gasoline represents an extreme challenge for chromatographic and mass spectrometric techniques. This work incorporates two-dimensional gas chromatography coupled to a tunable vacuum ultraviolet soft photoionization source, the Chemical Dynamics Beamline 9.0.2 of the Advanced Light Source at the Lawrence Berkeley National Laboratory, with a time-of-flight mass spectrometer (GC × GC-VUV-TOF) to directly characterize and isomerically sum the contributions of aromatic and aliphatic species to hydrocarbon classes of four crude oils. When the VUV beam is tuned to 10.5 ± 0.2 eV, both aromatic and aliphatic crude oil hydrocarbons are ionized to reveal the complete chemical abundance of C 9 -C 30 hydrocarbons. When the VUV beam is tuned to 9.0 ± 0.2 eV only aromatic hydrocarbons are ionized, allowing separation of the aliphatic and aromatic fractions of the crude oil hydrocarbon chemical classes in an efficient manner while maintaining isomeric quantification. This technique provides an effective tool to determine the isomerically summed aromatic and aliphatic hydrocarbon compositions of crude oil, providing information that goes beyond typical GC × GC separations of the most dominant hydrocarbon isomers.
Ab initio valence calculations in chemistry
Cook, D B
1974-01-01
Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge
Peverati, Roberto; Platt, Sean P; Attah, Isaac K; Aziz, Saaudallah G; El-Shall, M Samy; Head-Gordon, Martin
2017-08-30
Radical organic ions can be stabilized by complexation with neutral organics via interactions that can resemble chemical bonds, but with much diminished bond energies. Those interactions are a key factor in cluster growth and polymerization reactions in ionizing environments such as regions of the interstellar medium and solar nebulae. Such radical cation complexes between naphthalene (Naph) and pyridine (Pyr) are characterized using mass-selected ion mobility experiments. The measured enthalpy of binding of the Naph +• (Pyr) heterodimer (20.9 kcal/mol) exceeds that of the Naph +• (Naph) homodimer (17.8 kcal/mol). The addition of 1-3 more pyridine molecules to the Naph +• (Pyr) heterodimer gives 10-11 kcal/mol increments in binding enthalpy. A rich array of Naph +• (Pyr) isomers are characterized by electronic structure calculations. The calculated Boltzmann distribution at 400 K yields an enthalpy of binding in reasonable agreement with experiment. The global minimum is a distonic cation formed by Pyr attack on Naph +• at the α-carbon, changing its hybridization from sp 2 to distorted sp 3 . The measured collision cross section in helium for the Naph +• (Pyr) heterodimer of 84.9 ± 2.5 Å 2 at 302 K agrees well with calculated angle-averaged cross sections (83.9-85.1 Å 2 at 302 K) of the lowest energy distonic structures. A remarkable 16 kcal/mol increase in the binding energy between Naph +• (Pyr) and Bz +• (Pyr) (Bz is benzene) is understood by energy decomposition analysis. A similar increase in binding from Naph +• (NH 3 ) to Naph +• (Pyr) (as well as between Bz +• (NH 3 ) and Bz +• (Pyr)) is likewise rationalized.
Johnson, David A.; Nelson, Peter G.
2018-01-01
The valencies of the lanthanides vary more than was once thought. In addition to valencies associated with a half-full shell, there are valencies associated with a quarter- and three-quarter-full shell. This can be explained on the basis of Slater’s theory of many-electron atoms. The same theory explains the variation in complexing constants in the trivalent state (the “tetrad effect”). Valency in metallic and organometallic compounds is also discussed.
Alabdulmohsin, Ibrahim M.
2018-01-01
In this chapter, we extend the previous results of Chap. 2 to the more general case of composite finite sums. We describe what composite finite sums are and how their analysis can be reduced to the analysis of simple finite sums using the chain rule. We apply these techniques, next, on numerical integration and on some identities of Ramanujan.
Alabdulmohsin, Ibrahim M.
2018-03-07
In this chapter, we extend the previous results of Chap. 2 to the more general case of composite finite sums. We describe what composite finite sums are and how their analysis can be reduced to the analysis of simple finite sums using the chain rule. We apply these techniques, next, on numerical integration and on some identities of Ramanujan.
Indian Academy of Sciences (India)
... all resembling H bonds. Non-linear H bonds due to secondary interactions. C-H stretching frequency shows blue shift. Heavy atom distances are longer than the sum of van der Waals radii. Formed a task group through IUPAC to come up with a modern definition of H bond. 15 international experts including Desiraju.
Plutonium valence state distributions
International Nuclear Information System (INIS)
Silver, G.L.
1974-01-01
A calculational method for ascertaining equilibrium valence state distributions of plutonium in acid solutions as a function of the plutonium oxidation number and the solution acidity is illustrated with an example. The method may be more practical for manual use than methods based upon polynomial equations. (T.G.)
Alabdulmohsin, Ibrahim M.
2018-03-07
We will begin our treatment of summability calculus by analyzing what will be referred to, throughout this book, as simple finite sums. Even though the results of this chapter are particular cases of the more general results presented in later chapters, they are important to start with for a few reasons. First, this chapter serves as an excellent introduction to what summability calculus can markedly accomplish. Second, simple finite sums are encountered more often and, hence, they deserve special treatment. Third, the results presented in this chapter for simple finite sums will, themselves, be used as building blocks for deriving the most general results in subsequent chapters. Among others, we establish that fractional finite sums are well-defined mathematical objects and show how various identities related to the Euler constant as well as the Riemann zeta function can actually be derived in an elementary manner using fractional finite sums.
Alabdulmohsin, Ibrahim M.
2018-01-01
We will begin our treatment of summability calculus by analyzing what will be referred to, throughout this book, as simple finite sums. Even though the results of this chapter are particular cases of the more general results presented in later chapters, they are important to start with for a few reasons. First, this chapter serves as an excellent introduction to what summability calculus can markedly accomplish. Second, simple finite sums are encountered more often and, hence, they deserve special treatment. Third, the results presented in this chapter for simple finite sums will, themselves, be used as building blocks for deriving the most general results in subsequent chapters. Among others, we establish that fractional finite sums are well-defined mathematical objects and show how various identities related to the Euler constant as well as the Riemann zeta function can actually be derived in an elementary manner using fractional finite sums.
International Nuclear Information System (INIS)
Arenhoevel, H.; Drechsel, D.; Weber, H.J.
1978-01-01
Generalized sum rules are derived by integrating the electromagnetic structure functions along lines of constant ratio of momentum and energy transfer. For non-relativistic systems these sum rules are related to the conventional photonuclear sum rules by a scaling transformation. The generalized sum rules are connected with the absorptive part of the forward scattering amplitude of virtual photons. The analytic structure of the scattering amplitudes and the possible existence of dispersion relations have been investigated in schematic relativistic and non-relativistic models. While for the non-relativistic case analyticity does not hold, the relativistic scattering amplitude is analytical for time-like (but not for space-like) photons and relations similar to the Gell-Mann-Goldberger-Thirring sum rule exist. (Auth.)
Yurinsky, Vadim Vladimirovich
1995-01-01
Surveys the methods currently applied to study sums of infinite-dimensional independent random vectors in situations where their distributions resemble Gaussian laws. Covers probabilities of large deviations, Chebyshev-type inequalities for seminorms of sums, a method of constructing Edgeworth-type expansions, estimates of characteristic functions for random vectors obtained by smooth mappings of infinite-dimensional sums to Euclidean spaces. A self-contained exposition of the modern research apparatus around CLT, the book is accessible to new graduate students, and can be a useful reference for researchers and teachers of the subject.
Sum rules and moments for lepton-pair production. [Cross sections, Drell--Yan formula
Energy Technology Data Exchange (ETDEWEB)
Hwa, R.C.
1978-01-01
Sum rules on lepton-pair production cross sections are derived on the bases of the Drell--Yan formula and the known sum rules in leptoproduction. Also exact relations are obtained between the average transverse momenta squared of the valence quarks and moments of the dilepton cross sections. 12 references.
Micro-Valences: Affective valence in neutral everyday objects
Directory of Open Access Journals (Sweden)
Sophie eLebrecht
2012-04-01
Full Text Available Affective valence influences both our cognition and our perception of the world. Indeed, the speed and quality with which we recognize objects in a visual scene can vary dramatically depending on its affective content. However, affective processing of visual objects has been typically studied using only stimuli with strong affective valences (e.g., guns or roses. Here we explore whether affective valence must be strong or obvious to exert an effect on our perception. We conclude that the majority of objects carry some affective valence (micro-valences and, thus, nominally neutral objects are not really neutral. Functionally, the perception of valence in everyday objects facilitates perceptually-driven choice behavior, decision-making, and affective responses.
Chemical bond fundamental aspects of chemical bonding
Frenking, Gernot
2014-01-01
This is the perfect complement to ""Chemical Bonding - Across the Periodic Table"" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemica
Micro-Valences: Affective valence in neutral everyday objects
Sophie eLebrecht; Moshe eBar; Lisa F Barrett; Michael J Tarr
2012-01-01
Affective valence influences both our cognition and our perception of the world. Indeed, the speed and quality with which we recognize objects in a visual scene can vary dramatically depending on its affective content. However, affective processing of visual objects has been typically studied using only stimuli with strong affective valences (e.g., guns or roses). Here we explore whether affective valence must be strong or obvious to exert an effect on our perception. We conclude that the maj...
DEFF Research Database (Denmark)
Brodal, Gerth Stølting; Jørgensen, Allan Grønlund
2008-01-01
In an array of n numbers each of the \\binomn2+nUnknown control sequence '\\binom' contiguous subarrays define a sum. In this paper we focus on algorithms for selecting and reporting maximal sums from an array of numbers. First, we consider the problem of reporting k subarrays inducing the k largest...... sums among all subarrays of length at least l and at most u. For this problem we design an optimal O(n + k) time algorithm. Secondly, we consider the problem of selecting a subarray storing the k’th largest sum. For this problem we prove a time bound of Θ(n · max {1,log(k/n)}) by describing...... an algorithm with this running time and by proving a matching lower bound. Finally, we combine the ideas and obtain an O(n· max {1,log(k/n)}) time algorithm that selects a subarray storing the k’th largest sum among all subarrays of length at least l and at most u....
Multiparty symmetric sum types
DEFF Research Database (Denmark)
Nielsen, Lasse; Yoshida, Nobuko; Honda, Kohei
2010-01-01
This paper introduces a new theory of multiparty session types based on symmetric sum types, by which we can type non-deterministic orchestration choice behaviours. While the original branching type in session types can represent a choice made by a single participant and accepted by others...... determining how the session proceeds, the symmetric sum type represents a choice made by agreement among all the participants of a session. Such behaviour can be found in many practical systems, including collaborative workflow in healthcare systems for clinical practice guidelines (CPGs). Processes...... with the symmetric sums can be embedded into the original branching types using conductor processes. We show that this type-driven embedding preserves typability, satisfies semantic soundness and completeness, and meets the encodability criteria adapted to the typed setting. The theory leads to an efficient...
DEFF Research Database (Denmark)
T. Frandsen, Mads; Masina, Isabella; Sannino, Francesco
2011-01-01
We introduce new sum rules allowing to determine universal properties of the unknown component of the cosmic rays and show how it can be used to predict the positron fraction at energies not yet explored by current experiments and to constrain specific models.......We introduce new sum rules allowing to determine universal properties of the unknown component of the cosmic rays and show how it can be used to predict the positron fraction at energies not yet explored by current experiments and to constrain specific models....
Intermediate valence spectroscopy
International Nuclear Information System (INIS)
Gunnarsson, O.; Schoenhammer, K.
1987-01-01
Spectroscopic properties of intermediate valence compounds are studied using the Anderson model. Due to the large orbital and spin degeneracy N/sub f/ of the 4f-level, 1/N/sub f/ can be treated as a small parameter. This approach provides exact T = 0 results for the Anderson impurity model in the limit N/sub f/ → ∞, and by adding 1/N/sub f/ corrections some properties can be calculated accurately even for N/sub f/ = 1 or 2. In particular valence photoemission and resonance photoemission spectroscopies are studied. A comparison of theoretical and experimental spectra provides an estimate of the parameters in the model. Core level photoemission spectra provide estimates of the coupling between the f-level and the conduction states and of the f-level occupancy. With these parameters the model gives a fair description of other electron spectroscopies. For typical parameters the model predicts two structures in the f-spectrum, namely one structure at the f-level and one at the Fermi energy. The resonance photoemission calculation gives a photon energy dependence for these two peaks in fair agreement with experiment. The peak at the Fermi energy is partly due to a narrow Kondo resonance, resulting from many-body effects and the presence of a continuous, partly filled conduction band. This resonance is related to a large density of low-lying excitations, which explains the large susceptibility and specific heat observed for these systems at low temperatures. 38 references, 11 figures, 2 tables
Huang, Chao; Wu, Jie; Song, Chuanjun; Ding, Ran; Qiao, Yan; Hou, Hongwei; Chang, Junbiao; Fan, Yaoting
2015-06-28
Upon single-crystal-to-single-crystal (SCSC) oxidation/reduction, reversible structural transformations take place between the anionic porous zeolite-like Cu(I) framework and a topologically equivalent neutral Cu(I)Cu(II) mixed-valent framework. The unique conversion behavior of the Cu(I) framework endowed it as a redox-switchable catalyst for the direct arylation of heterocycle C-H bonds.
DEFF Research Database (Denmark)
March, Anne Marie; Assefa, Tadesse A.; Boemer, Christina
2017-01-01
We probe the dynamics of valence electrons in photoexcited [Fe(terpy)2]2+ in solution to gain deeper insight into the Fe ligand bond changes. We use hard X-ray emission spectroscopy (XES), which combines element specificity and high penetration with sensitivity to orbital structure, making...... valence orbitals to the nascent core-hole. Vtc-XES offers particular insight into the molecular orbitals directly involved in the light-driven dynamics; a change in the metal ligand orbital overlap results in an intensity reduction and a blue energy shift in agreement with our theoretical calculations...... and more subtle features at the highest energies reflect changes in the frontier orbital populations....
African Journals Online (AJOL)
Tracie1
Résumé. L'activité traduisant est un processus très compliqué qui exige la connaissance extralinguistique chez le traducteur. Ce travail est basé sur la traduction littéraire. La traduction littéraire consistedes textes littéraires que comprennent la poésie, le théâtre, et la prose. La traduction littéraire a quelques problèmes ...
2010-10-01
... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form 25...
Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster.
Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio C.; Caneschi, Andrea; Gatteschi, Dante
1998-07-27
Two novel polynuclear manganese(II,III) complexes have been synthesized by exploiting controlled methanolysis. A one-pot reaction of MnCl(2), NaOMe, dibenzoylmethane (Hdbm), and O(2) in anhydrous methanol, followed by recrystallization from MeOH/CHCl(3) mixtures, afforded the alkoxomanganese complexes [Mn(7)(OMe)(12)(dbm)(6)].CHCl(3).14MeOH (2) and [Mn(2)(OMe)(2)(dbm)(4)] (3). Complex 2 crystallizes in trigonal space group R&thremacr; with a = 14.439(2) Å, alpha = 86.34(1) degrees, and Z = 1. Complex 3 crystallizes in triclinic space group P&onemacr; with a = 9.612(1) Å, b = 10.740(1) Å, c = 13.168(1) Å, alpha = 80.39(1) degrees, beta = 87.66(1) degrees, gamma = 83.57(1) degrees, and Z = 1. The solid-state structure of 2 comprises a [Mn(6)(OMe)(12)(dbm)(6)] "crown" with crystallographically imposed 6-fold symmetry plus a central manganese ion. The layered Mn/O core mimics a fragment of the manganese oxide mineral lithiophorite. Conductivity measurements confirmed the nonionic character of 2 and suggested a mixed-valence Mn(II)(3)Mn(III)(4) formulation. The metrical parameters of the core were analyzed with the aid of bond-valence sum calculations. The central ion is essentially a valence-trapped Mn(II) ion, whereas the average Mn-O distances for the manganese ions of the "crown" are consistent with the presence of two Mn(II) and four Mn(III) ions. However, (1)H NMR spectra in solution strongly support valence localization and suggest that the observed solid-state structure may be a result of static disorder effects. Magnetic susceptibility vs T and magnetization vs field data at low temperature are consistent with an S = (17)/(2) ground state. Complex 3 is a symmetric alkoxo-bridged dimer. The two high-spin Mn(III) ions are antiferromagnetically coupled with J = 0.28(4) cm(-)(1), g = 1.983(2), and D = -2.5(4) cm(-)(1).
Alabdulmohsin, Ibrahim M.
2018-03-07
In this chapter, we use the theory of summability of divergent series, presented earlier in Chap. 4, to derive the analogs of the Euler-Maclaurin summation formula for oscillating sums. These formulas will, in turn, be used to perform many remarkable deeds with ease. For instance, they can be used to derive analytic expressions for summable divergent series, obtain asymptotic expressions of oscillating series, and even accelerate the convergence of series by several orders of magnitude. Moreover, we will prove the notable fact that, as far as the foundational rules of summability calculus are concerned, summable divergent series behave exactly as if they were convergent.
Alabdulmohsin, Ibrahim M.
2018-01-01
In this chapter, we use the theory of summability of divergent series, presented earlier in Chap. 4, to derive the analogs of the Euler-Maclaurin summation formula for oscillating sums. These formulas will, in turn, be used to perform many remarkable deeds with ease. For instance, they can be used to derive analytic expressions for summable divergent series, obtain asymptotic expressions of oscillating series, and even accelerate the convergence of series by several orders of magnitude. Moreover, we will prove the notable fact that, as far as the foundational rules of summability calculus are concerned, summable divergent series behave exactly as if they were convergent.
Darmann, Andreas; Nicosia, Gaia; Pferschy, Ulrich; Schauer, Joachim
2014-03-16
In this work we address a game theoretic variant of the Subset Sum problem, in which two decision makers (agents/players) compete for the usage of a common resource represented by a knapsack capacity. Each agent owns a set of integer weighted items and wants to maximize the total weight of its own items included in the knapsack. The solution is built as follows: Each agent, in turn, selects one of its items (not previously selected) and includes it in the knapsack if there is enough capacity. The process ends when the remaining capacity is too small for including any item left. We look at the problem from a single agent point of view and show that finding an optimal sequence of items to select is an [Formula: see text]-hard problem. Therefore we propose two natural heuristic strategies and analyze their worst-case performance when (1) the opponent is able to play optimally and (2) the opponent adopts a greedy strategy. From a centralized perspective we observe that some known results on the approximation of the classical Subset Sum can be effectively adapted to the multi-agent version of the problem.
Counting Triangles to Sum Squares
DeMaio, Joe
2012-01-01
Counting complete subgraphs of three vertices in complete graphs, yields combinatorial arguments for identities for sums of squares of integers, odd integers, even integers and sums of the triangular numbers.
DeTemple, Duane
2010-01-01
Purely combinatorial proofs are given for the sum of squares formula, 1[superscript 2] + 2[superscript 2] + ... + n[superscript 2] = n(n + 1) (2n + 1) / 6, and the sum of sums of squares formula, 1[superscript 2] + (1[superscript 2] + 2[superscript 2]) + ... + (1[superscript 2] + 2[superscript 2] + ... + n[superscript 2]) = n(n + 1)[superscript 2]…
Atomic Charges and Chemical Bonding in Y-Ga Compounds
Directory of Open Access Journals (Sweden)
Yuri Grin
2018-02-01
Full Text Available A negative deviation from Vegard rule for the average atomic volume versus yttrium content was found from experimental crystallographic information about the binary compounds of yttrium with gallium. Analysis of the electron density (DFT calculations employing the quantum theory of atoms in molecules revealed an increase in the atomic volumes of both Y and Ga with the increase in yttrium content. The non-linear increase is caused by the strengthening of covalent Y-Ga interactions with stronger participation of genuine penultimate shell electrons (4d electrons of yttrium in the valence region. Summing the calculated individual atomic volumes for a unit cell allows understanding of the experimental trend. With increasing yttrium content, the polarity of the Y-Ga bonding and, thus its ionicity, rises. The covalency of the atomic interactions in Y-Ga compounds is consistent with their delocalization from two-center to multi-center ones.
Valence effects of sorption: laboratory control of valence state
International Nuclear Information System (INIS)
Meyer, R.E.; Arnold, W.D.; Case, F.I.
1984-01-01
Estimation of the rates of migration of nuclides from nuclear waste repositories required knowledge of the interaction of these nuclides with the components of the geological formations in the path of the migration. These interactions will be dependent upon the valence state and speciation of the nuclide. If the valence state is not known, then there can be little confidence in use of the data for safety analysis. An electrochemical method of valence state control was developed which makes use of a porous electrode in a flow system containing a column of the adsorbent. By use of this method and solvent extraction analyses of the valence states, a number of reactions of interest to HLW repositories were investigated. These include the reduction of Np(V) and Tc(VII) by crushed basalt and other minerals. For the reduction of Np(V) by basalt, the experiments indicate that sorption on basalt increases with pH and that most of the Np is reduced to Np(IV). The adsorbed Np(IV) is very difficult to remove from the basalt. For the experiments with Tc(VII), the results are considerably more complicated. The results of these experiments are used to assess some of the techniques and methods currently used in safety analyses of proposed HLW repositories. Perhaps the most important consideration is that predictive modeling of valence change reactions, such as the reduction of Np(V) and Tc(VII), must be used with considerable caution, and the occurrence of such reactions should be verified as best as possible with experiments using valence state control and analyses. 13 references, 3 figures, 1 table
Localized description of valence fluctuations
International Nuclear Information System (INIS)
Alascio, B.; Allub, R.; Aligia, A.
1979-07-01
The authors set up a model for intermediate valence equivalent to the ''atomic'' limit of the Anderson Hamiltonian. Detailed analysis of this model shows that most of the essential characteristics of valence fluctuators are already present in this crudely simplified Hamiltonian. The spin-spin and the 4f charge-charge correlation functions are studied and it is shown that it is possible to define a spin fluctuation frequency ωsub(s.f.) and a charge fluctuation frequency ωsub(ch.f.).ωsub(s.f.) and ωsub(ch.f.) can differ considerably for some values of the parameters of the model. The magnetic susceptibility and the specific heat are calculated as functions of temperature and it is shown how the results simulate the behaviour found in valence fluctuators. (author)
Distributions of valence quarks in hadrons at small x in QCD
International Nuclear Information System (INIS)
Ioffe, B.L.; Kaidalov, A.B.
1984-01-01
Valence u- and d-quark distributions in nucleon and pion at small x (x=-q 2 /2ν is the fraction of the momentum carried by quarks) corresponding to rho and ω Regge pole exchange have been obtained on the basis of the QCD sum rule me-thod
Social Security Administration — Staging Instance for all SUMs Counts related projects including: Redeterminations/Limited Issue, Continuing Disability Resolution, CDR Performance Measures, Initial...
Distance criterion for hydrogen bond
Indian Academy of Sciences (India)
First page Back Continue Last page Overview Graphics. Distance criterion for hydrogen bond. In a D-H ...A contact, the D...A distance must be less than the sum of van der Waals Radii of the D and A atoms, for it to be a hydrogen bond.
The use of symmetrized valence and relative motion coordinates for crystal potentials
DEFF Research Database (Denmark)
McMurry, H. L.; Hansen, Flemming Yssing
1980-01-01
Symmetrized valence coordinates are linear combinations of conventional valence coordinates which display the symmetry of a set of atoms bound by the valence bonds. Relative motion coordinates are relative translations, or relative rotations, of two or more strongly bonded groups of atoms among...... which relatively weak forces act. They are useful for expressing interactions between molecules in molecular crystals and should be chosen, also, to reflect the symmetry of the interacting groups. Since coordinates defined by these procedures possess elements of symmetry in common with the bonding...... interaction constants coupling coordinates of unlike symmetry with regard to the crystal point group are necessarily zero. They may be small, also, for coordinates which belong to different representations of the local symmetry when this is not the same as for the crystal. Procedures are given for defining...
Damanik, Asan
2018-03-01
Neutrino mass sum-rele is a very important research subject from theoretical side because neutrino oscillation experiment only gave us two squared-mass differences and three mixing angles. We review neutrino mass sum-rule in literature that have been reported by many authors and discuss its phenomenological implications.
Maua, Denis Deratani; Cozman, Fabio Gagli; Conaty, Diarmaid; de Campos, Cassio P.
2017-01-01
Sum-product networks are a relatively new and increasingly popular class of (precise) probabilistic graphical models that allow for marginal inference with polynomial effort. As with other probabilistic models, sum-product networks are often learned from data and used to perform classification.
Moreno, Carlos J
2005-01-01
Introduction Prerequisites Outline of Chapters 2 - 8 Elementary Methods Introduction Some Lemmas Two Fundamental Identities Euler's Recurrence for Sigma(n)More Identities Sums of Two Squares Sums of Four Squares Still More Identities Sums of Three Squares An Alternate Method Sums of Polygonal Numbers Exercises Bernoulli Numbers Overview Definition of the Bernoulli Numbers The Euler-MacLaurin Sum Formula The Riemann Zeta Function Signs of Bernoulli Numbers Alternate The von Staudt-Clausen Theorem Congruences of Voronoi and Kummer Irregular Primes Fractional Parts of Bernoulli Numbers Exercises Examples of Modular Forms Introduction An Example of Jacobi and Smith An Example of Ramanujan and Mordell An Example of Wilton: t (n) Modulo 23 An Example of Hamburger Exercises Hecke's Theory of Modular FormsIntroduction Modular Group ? and its Subgroup ? 0 (N) Fundamental Domains For ? and ? 0 (N) Integral Modular Forms Modular Forms of Type Mk(? 0(N);chi) and Euler-Poincare series Hecke Operators Dirichlet Series and ...
Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals.
Sayfutyarova, Elvira R; Sun, Qiming; Chan, Garnet Kin-Lic; Knizia, Gerald
2017-09-12
We introduce the atomic valence active space (AVAS), a simple and well-defined automated technique for constructing active orbital spaces for use in multiconfiguration and multireference (MR) electronic structure calculations. Concretely, the technique constructs active molecular orbitals capable of describing all relevant electronic configurations emerging from a targeted set of atomic valence orbitals (e.g., the metal d orbitals in a coordination complex). This is achieved via a linear transformation of the occupied and unoccupied orbital spaces from an easily obtainable single-reference wave function (such as from a Hartree-Fock or Kohn-Sham calculations) based on projectors to targeted atomic valence orbitals. We discuss the premises, theory, and implementation of the idea, and several of its variations are tested. To investigate the performance and accuracy, we calculate the excitation energies for various transition-metal complexes in typical application scenarios. Additionally, we follow the homolytic bond breaking process of a Fenton reaction along its reaction coordinate. While the described AVAS technique is not a universal solution to the active space problem, its premises are fulfilled in many application scenarios of transition-metal chemistry and bond dissociation processes. In these cases the technique makes MR calculations easier to execute, easier to reproduce by any user, and simplifies the determination of the appropriate size of the active space required for accurate results.
Indian Academy of Sciences (India)
First page Back Continue Last page Overview Graphics. What is a hydrogen bond? Precise definition of a hydrogen bond is still elusive!1. Several criteria are listed usually for X-H•••Y, X and Y initially thought to be F, O and N only1. Structural: The X-Y bond length is less than the sum of their van der Waals radii. X-H•••Y is ...
Molecular invariants: atomic group valence
International Nuclear Information System (INIS)
Mundim, K.C.; Giambiagi, M.; Giambiagi, M.S. de.
1988-01-01
Molecular invariants may be deduced in a very compact way through Grassman algebra. In this work, a generalized valence is defined for an atomic group; it reduces to the Known expressions for the case of an atom in a molecule. It is the same of the correlations between the fluctions of the atomic charges qc and qd (C belongs to the group and D does not) around their average values. Numerical results agree with chemical expectation. (author) [pt
THE VALENCE OF CORPUSCULAR PROTEINS.
Gorin, M H; Mover, L S
1942-07-20
BY THE USE OF TWO EXTREME MODELS: a hydrated sphere and an unhydrated rod the valence (net charge) of corpuscular proteins can be successfully calculated from electric mobility data by the Debye-Hückel theory (modified to include the effect of the ions in the ion atmosphere) in conjunction with the electrophoretic theory of Henry. As pointed out by Abramson, this permits a comparison with values for the valence from titration data. Electrometric titration measurements of serum albumin B (Kekwick) have been determined at several ionic strengths. These results, together with the available data in the literature for serum albumin B, egg albumin, and beta-lactoglobulin have been used to compare values for the valence calculated from measurements of titration, electrophoresis, and membrane potentials. The results indicate that the usual interpretation of titration curves is open to serious question. By extrapolation of the titration data to zero ionic strength and protein concentration, there results an "intrinsic" net charge curve describing the binding of H(+) (OH(-)) ion alone. This curve agrees closely, in each case, with values of the valence calculated from mobility data (which in turn are in close accord with those estimated from membrane potential measurements). The experimental titration curves in the presence of appreciable quantities of ions and protein deviate widely from the ideal curve. It is suggested that, under these conditions, binding of undissociated acid (base) leads to erroneous values for the net charge. This binding would not affect the electrophoretic mobility. Values of the net charge obtained by the two extreme models from electrophoretic data are in agreement within 15 to 20 per cent. The agreement between the cylindrical model and the titration data is somewhat better in each case than with the sphere; i.e., this comparison enables a choice to be made between asymmetry and hydration in the interpretation of results from sedimentation and
Valence electronic structure of tantalum carbide and nitride
Institute of Scientific and Technical Information of China (English)
FAN; ChangZeng
2007-01-01
The valence electronic structures of tantalum carbide (TaC) and tantalum nitride (TaN) are studied by using the empirical electronic theory (EET). The results reveal that the bonds of these compounds have covalent, metallic and ionic characters. For a quantitative analysis of the relative strength of these components, their ionicities have been calculated by implanting the results of EET to the PVL model. It has been found that the ionicity of tantalum carbide is smaller than that of tantalum nitride. The EET results also reveal that the covalent electronic number of the strongest bond in the former is larger than that of the latter. All these suggest that the covalent bond of TaC is stronger than that of TaN, which coincides to that deduced from the first-principles method.……
Valence electronic structure of tantalum carbide and nitride
Institute of Scientific and Technical Information of China (English)
无
2007-01-01
@@ The valence electronic structures of tantalum carbide (TaC) and tantalum nitride (TaN) are studied by using the empirical electronic theory (EET). The results reveal that the bonds of these compounds have covalent, metallic and ionic characters. For a quantitative analysis of the relative strength of these components, their ionicities have been calculated by implanting the results of EET to the PVL model. It has been found that the ionicity of tantalum carbide is smaller than that of tantalum nitride. The EET results also reveal that the covalent electronic number of the strongest bond in the former is larger than that of the latter. All these suggest that the covalent bond of TaC is stronger than that of TaN, which coincides to that deduced from the first-principles method.
Clustering of low-valence particles: structure and kinetics.
Markova, Olga; Alberts, Jonathan; Munro, Edwin; Lenne, Pierre-François
2014-08-01
We compute the structure and kinetics of two systems of low-valence particles with three or six freely oriented bonds in two dimensions. The structure of clusters formed by trivalent particles is complex with loops and holes, while hexavalent particles self-organize into regular and compact structures. We identify the elementary structures which compose the clusters of trivalent particles. At initial stages of clustering, the clusters of trivalent particles grow with a power-law time dependence. Yet at longer times fusion and fission of clusters equilibrates and clusters form a heterogeneous phase with polydispersed sizes. These results emphasize the role of valence in the kinetics and stability of finite-size clusters.
Proximinality in generalized direct sums
Directory of Open Access Journals (Sweden)
Darapaneni Narayana
2004-01-01
Full Text Available We consider proximinality and transitivity of proximinality for subspaces of finite codimension in generalized direct sums of Banach spaces. We give several examples of Banach spaces where proximinality is transitive among subspaces of finite codimension.
'Sum rules' for preequilibrium reactions
International Nuclear Information System (INIS)
Hussein, M.S.
1981-03-01
Evidence that suggests a correct relationship between the optical transmission matrix, P, and the several correlation widths, gamma sub(n), found in nsmission matrix, P, and the several correlation widths, n, found in multistep compound (preequilibrium) nuclear reactions, is presented. A second sum rule is also derived within the shell model approach to nuclear reactions. Indications of the potential usefulness of the sum rules in preequilibrium studies are given. (Author) [pt
Sum rules in classical scattering
International Nuclear Information System (INIS)
Bolle, D.; Osborn, T.A.
1981-01-01
This paper derives sum rules associated with the classical scattering of two particles. These sum rules are the analogs of Levinson's theorem in quantum mechanics which provides a relationship between the number of bound-state wavefunctions and the energy integral of the time delay of the scattering process. The associated classical relation is an identity involving classical time delay and an integral over the classical bound-state density. We show that equalities between the Nth-order energy moment of the classical time delay and the Nth-order energy moment of the classical bound-state density hold in both a local and a global form. Local sum rules involve the time delay defined on a finite but otherwise arbitrary coordinate space volume S and the bound-state density associated with this same region. Global sum rules are those that obtain when S is the whole coordinate space. Both the local and global sum rules are derived for potentials of arbitrary shape and for scattering in any space dimension. Finally the set of classical sum rules, together with the known quantum mechanical analogs, are shown to provide a unified method of obtaining the high-temperature expansion of the classical, respectively the quantum-mechanical, virial coefficients
AVE bond index in the H-bond of the Watson-Crick pairs
International Nuclear Information System (INIS)
Giambiagi, M.; Giambiagi, M.S. de; Barroso Filho, W.
1981-01-01
The normal Watson-Crick base pairs are treated as super-molecules. The properties of the electronic distribution along the N-H...Y bonds are studied in an all-valence-electrons calculation, through a bond index formula devised for non-orthogonal basis. Eletronic density diagrams of the adenine-uracil base pair are analysed. (Auhor) [pt
Small sum privacy and large sum utility in data publishing.
Fu, Ada Wai-Chee; Wang, Ke; Wong, Raymond Chi-Wing; Wang, Jia; Jiang, Minhao
2014-08-01
While the study of privacy preserving data publishing has drawn a lot of interest, some recent work has shown that existing mechanisms do not limit all inferences about individuals. This paper is a positive note in response to this finding. We point out that not all inference attacks should be countered, in contrast to all existing works known to us, and based on this we propose a model called SPLU. This model protects sensitive information, by which we refer to answers for aggregate queries with small sums, while queries with large sums are answered with higher accuracy. Using SPLU, we introduce a sanitization algorithm to protect data while maintaining high data utility for queries with large sums. Empirical results show that our method behaves as desired. Copyright © 2014 Elsevier Inc. All rights reserved.
Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS
International Nuclear Information System (INIS)
Kozyukhin, S.; Golovchak, R.; Kovalskiy, A.; Shpotyuk, O.; Jain, H.
2011-01-01
High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As x Se 100−x , As x S 100−x , Ge x Se 100−x and Ge x S 100−x chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.
Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS
Energy Technology Data Exchange (ETDEWEB)
Kozyukhin, S., E-mail: sergkoz@igic.ras.ru [Russian Academy of Science, Institute of General and Inorganic Chemistry (Russian Federation); Golovchak, R. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Kovalskiy, A. [Lehigh University, Department of Materials Science and Engineering (United States); Shpotyuk, O. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Jain, H. [Lehigh University, Department of Materials Science and Engineering (United States)
2011-04-15
High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As{sub x}Se{sub 100-x}, As{sub x}S{sub 100-x}, Ge{sub x}Se{sub 100-x} and Ge{sub x}S{sub 100-x} chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.
Sum rules for collisional processes
International Nuclear Information System (INIS)
Oreg, J.; Goldstein, W.H.; Bar-Shalom, A.; Klapisch, M.
1991-01-01
We derive level-to-configuration sum rules for dielectronic capture and for collisional excitation and ionization. These sum rules give the total transition rate from a detailed atomic level to an atomic configuration. For each process, we show that it is possible to factor out the dependence on continuum-electron wave functions. The remaining explicit level dependence of each rate is then obtained from the matrix element of an effective operator acting on the bound orbitals only. In a large class of cases, the effective operator reduces to a one-electron monopole whose matrix element is proportional to the statistical weight of the level. We show that even in these cases, nonstatistical level dependence enters through the dependence of radial integrals on continuum orbitals. For each process, explicit analytic expressions for the level-to-configuration sum rules are given for all possible cases. Together with the well-known J-file sum rule for radiative rates [E. U. Condon and G. H. Shortley, The Theory of Atomic Spectra (University Press, Cambridge, 1935)], the sum rules offer a systematic and efficient procedure for collapsing high-multiplicity configurations into ''effective'' levels for the purpose of modeling the population kinetics of ionized heavy atoms in plasma
Valence configurations in 214Rn
International Nuclear Information System (INIS)
Dracoulis, G.D.; Byrne, A.P.; Stuchbery, A.E.; Bark, R.A.; Poletti, A.R.
1987-01-01
Excited states of 214 Rn, up to spins of ≅ 24 ℎ have been studied using γ-ray and electron spectroscopy following the 208 Pb( 9 Be,3n) 214 Rn reaction. The level scheme (which differs substantially from earlier work) is compared with the results of a semi-empirical shell model calculation. The availability of high-spin orbitals for the four valence protons and two valence neutrons, and the effect of the attractive proton-neutron interaction, leads to the prediction of high-spin states at an unusually low excitation energy. Experimentally, the high level density leads to difficulties in the level scheme assignments at high spin. Nevertheless, configuration assignments, supported by transition strengths deduced from the measured lifetimes (in the nanosecond region) are suggested for the main yrast states. The decay properties also suggest that configuration mixing is important. The possibility of a gradual transition to octupole deformation, implied by the decay properties of the 11 - and 10 + yrast states is also discussed. (orig.)
Effects of Nb and Si on densities of valence electrons in bulk and defects of Fe3Al alloys
Institute of Scientific and Technical Information of China (English)
邓文; 钟夏平; 黄宇阳; 熊良钺; 王淑荷; 郭建亭; 龙期威
1999-01-01
Positron lifetime measurements have been performed in binary Fe3Al and Fe3Al doping with Nb or Si alloys. The densities of valence electrons of the bulk and microdefects in all tested samples have been calculated by using the positron lifetime parameters. Density of valence electron is low in the bulk of Fe3Al alloy. It indicates that, the 3d electrons in a Fe atom have strong-localized properties and tend to form covalent bonds with Al atoms, and the bonding nature in Fe3Al is a mixture of metallic and covalent bonds. The density of valence electron is very low in the defects of Fe3Al grain boundary, which makes the bonding cohesion in grain boundary quite weak. The addition of Si to Fe3Al gives rise to the decrease of the densities of valence electrons in the bulk and the grain boundary thus the metallic bonding cohesion. This makes the alloy more brittle. The addition of Nb to Fe3Al results in the decrease of the ordering energy of the alloy and increases the density of valence electron and th
Polarizability sum rules in QED
International Nuclear Information System (INIS)
Llanta, E.; Tarrach, R.
1978-01-01
The well founded total photoproduction and the, assumed subtraction free, longitudinal photoproduction polarizability sum rules are checked in QED at the lowest non-trivial order. The first one is shown to hold, whereas the second one turns out to need a subtraction, which makes its usefulness for determining the electromagnetic polarizabilities of the nucleons quite doubtful. (Auth.)
International Nuclear Information System (INIS)
Frandsen, Mads T.; Masina, Isabella; Sannino, Francesco
2011-01-01
We introduce new sum rules allowing to determine universal properties of the unknown component of the cosmic rays; we show how they can be used to predict the positron fraction at energies not yet explored by current experiments, and to constrain specific models.
Sum rules for neutrino oscillations
International Nuclear Information System (INIS)
Kobzarev, I.Yu.; Martemyanov, B.V.; Okun, L.B.; Schepkin, M.G.
1981-01-01
Sum rules for neutrino oscillations are obtained. The derivation of the general form of the s matrix for two stage process lsub(i)sup(-)→ν→lsub(k)sup(+-) (where lsub(i)sup(-)e, μ, tau, ... are initial leptons with flavor i and lsub(k)sup(+-) is final lepton) is presented. The consideration of two stage process lsub(i)sup(-)→ν→lsub(k)sup(+-) gives the possibility to take into account neutrino masses and to obtain the expressions for the oscillating cross sections. In the case of Dirac and left-handed Majorana neutrino is obtained the sum rule for the quantities 1/Vsub(K)σ(lsub(i)sup(-)→lsub(K)sup(+-)), (where Vsub(K) is a velocity of lsub(K)). In the left-handed Majorana neutrino case there is an additional antineutrino admixture leading to lsub(i)sup(-)→lsub(K)sup(+) process. Both components (neutrino and antineutrino) oscillate independently. The sums Σsub(K)1/Vsub(k)σ(lsub(i)sup(-) - lsub(K)sup(+-) then oscillate due to the presence of left-handed antineutrinos and right-handed neutrinos which do not take part in weak interactions. If right-handed currents are added sum rules analogous to considered above may be obtained. All conclusions are valid in the general case when CP is not conserved [ru
Sums of Generalized Harmonic Series
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 9. Sums of Generalized Harmonic Series: For Kids from Five to Fifteen. Zurab Silagadze. General Article Volume 20 Issue 9 September 2015 pp 822-843. Fulltext. Click here to view fulltext PDF. Permanent link:
Instanton contributions to the valence band of the double Sine-Gordon potential
International Nuclear Information System (INIS)
Ricotta, R.M.; Escobar, C.O.
1982-01-01
The energy dispersion relation for the valence band of the double sine-Gordon potential is calculated, approximating the tunneling amplitude by a sum of contributions of multi-instantons and anti-instatons trajectories. The interesting feature of this potential is that they have to deal with two types of instantons, as there are two different potential barriers within one period of the potential. The results with the standard WKB approximation are compared. (Author) [pt
Light Cone Sum Rules for gamma*N ->Delta Transition Form Factors
Energy Technology Data Exchange (ETDEWEB)
V.M. Braun; A. Lenz; G. Peters; A. Radyushkin
2006-02-01
A theoretical framework is suggested for the calculation of {gamma}* N {yields} {Delta} transition form factors using the light-cone sum rule approach. Leading-order sum rules are derived and compared with the existing experimental data. We find that the transition form factors in a several GeV region are dominated by the ''soft'' contributions that can be thought of as overlap integrals of the valence components of the hadron wave functions. The ''minus'' components of the quark fields contribute significantly to the result, which can be reinterpreted as large contributions of the quark orbital angular momentum.
African Journals Online (AJOL)
ISONIC
Résumé. Cardisoma armatum, est une espèce de crabe de terre rencontrée en Afrique de l'ouest en particulier en ... optique suite au traitement histologique ont permis la mise en évidence de quelques critères d'identification de l'espèce et ...... En Côte d'Ivoire il n'est pas rare de voir durant les saisons propices. Cardisoma ...
Valence electron structure of cast iron and graphltization behaviour criterion of elements
Institute of Scientific and Technical Information of China (English)
刘志林; 李志林; 孙振国; 杨晓平; 陈敏
1995-01-01
The valence electron structure of common alloy elements in phases of cast iron is calculated- The relationship between the electron structure of alloy elements and equilibrium, non-equilibrium solidification and graphitization is revealed by defining the bond energy of the strongest bond in a phase as structure formation factor S. A criterion of graphitization behaviour of elements is advanced with the critical value of the structure formation factor of graphite and the n of the strongest covalent bond in cementite. It is found that this theory conforms to practice very well when the criterion is applied to the common alloy elements.
Pressure induced valence transitions in the Anderson lattice model
International Nuclear Information System (INIS)
Bernhard, B.H.; Coqblin, B.
2009-01-01
We apply the equation of motion method to the Anderson lattice model, which describes the physical properties of heavy fermion compounds. In particular, we focus here on the variation of the number of f electrons with pressure, associated to the crossover from the Kondo regime to the intermediate valence regime. We treat here the non-magnetic case and introduce an improved approximation, which consists of an alloy analogy based decoupling for the Anderson lattice model. It is implemented by partial incorporation of the spatial correlations contained in higher-order Green's functions involved in the problem that have been formerly neglected. As it has been verified in the framework of the Hubbard model, the alloy analogy avoids the breakdown of sum rules and is more appropriate to explore the asymmetric case of the periodic Anderson Hamiltonian. The densities of states for a simple cubic lattice are calculated for various values of the model parameters V, t, E f , and U.
Simultaneous conditioning of valence and arousal.
Gawronski, Bertram; Mitchell, Derek G V
2014-01-01
Evaluative conditioning (EC) refers to the change in the valence of a conditioned stimulus (CS) due to its pairing with a positive or negative unconditioned stimulus (US). To the extent that core affect can be characterised by the two dimensions of valence and arousal, EC has important implications for the origin of affective responses. However, the distinction between valence and arousal is rarely considered in research on EC or conditioned responses more generally. Measuring the subjective feelings elicited by a CS, the results from two experiments showed that (1) repeated pairings of a CS with a positive or negative US of either high or low arousal led to corresponding changes in both CS valence and CS arousal, (2) changes in CS arousal, but not changes in CS valence, were significantly related to recollective memory for CS-US pairings, (3) subsequent presentations of the CS without the US reduced the conditioned valence of the CS, with conditioned arousal being less susceptible to extinction and (4) EC effects were stronger for high arousal than low arousal USs. The results indicate that the conditioning of affective responses can occur simultaneously along two independent dimensions, supporting evidence in related areas that calls for a consideration of both valence and arousal. Implications for research on EC and the acquisition of emotional dispositions are discussed.
Valence instabilities in cerium intermetallics
International Nuclear Information System (INIS)
Dijkman, W.H.
1982-01-01
The primary purpose of this investigation was to study the magnetic behaviour of cerium in intermetallic compounds, that show an IV behaviour, e.g. CeSn 3 . In the progress of the investigations, it became of interest to study the effect of changes in the lattice of the IV compound by substituting La or Y for Ce, thus constituting the Cesub(1-x)Lasub(x)Sn 3 and Cesub(1-x)Ysub(x)Sn 3 quasibinary systems. A second purpose was to examine the possibility of introducing instabilities in the valency of a trivalent intermetallic cerium compound: CeIn 3 , also by La and Y-substitutions in the lattice. Measurements on the resulting Cesub(1-x)Lasub(x)In 3 and Cesub(1-x)Ysub(x)In 3 quasibinaries are described. A third purpose was to study the (gradual) transition from a trivalent cerium compound into an IV cerium compound. This was done by examining the magnetic properties of the CeInsub(x)Snsub(3-x) and CePbsub(x)Snsub(3-x) systems. Finally a new possibility was investigated: that of the occurrence of IV behaviour in CeSi 2 , CeSi, and in CeGa 2 . (Auth.)
Wang, Yan Mei; Li, Ting; Li, Lin
2017-07-19
The valence-arousal conflict theory assumes that both valence and arousal will trigger approaching or withdrawing tendencies. It also predicts that the speed of processing emotional stimuli will depend on whether valence and arousal trigger conflicting or congruent motivational tendencies. However, most previous studies have provided evidence of the interaction between valence and arousal only, and have not provided direct proof of the interactive links between valence, arousal and motivational tendencies. The present study provides direct evidence for the relationship between approach-withdrawal tendencies and the valence-arousal conflict. In an empirical test, participants were instructed to judge the valence of emotional words after visual-spatial cues that appeared to be either approaching or withdrawing from participants. A three-way interaction (valence, arousal, and approach-withdrawal tendency) was observed such that the response time was shorter if participants responded to a negative high-arousal stimulus after a withdrawing cue, or to a positive low-arousal stimulus after an approaching cue. These findings suggest that the approach-withdrawal tendency indeed plays a crucial role in valence-arousal conflict, and that the effect depends on the congruency of valence, arousal and tendency at an early stage of processing.
On triangle meshes with valence dominant vertices
Morvan, Jean-Marie
2018-01-01
We study triangulations $\\cal T$ defined on a closed disc $X$ satisfying the following condition: In the interior of $X$, the valence of all vertices of $\\cal T$ except one of them (the irregular vertex) is $6$. By using a flat singular Riemannian metric adapted to $\\cal T$, we prove a uniqueness theorem when the valence of the irregular vertex is not a multiple of $6$. Moreover, for a given integer $k >1$, we exhibit non isomorphic triangulations on $X$ with the same boundary, and with a unique irregular vertex whose valence is $6k$.
On triangle meshes with valence dominant vertices
Morvan, Jean-Marie
2018-02-16
We study triangulations $\\\\cal T$ defined on a closed disc $X$ satisfying the following condition: In the interior of $X$, the valence of all vertices of $\\\\cal T$ except one of them (the irregular vertex) is $6$. By using a flat singular Riemannian metric adapted to $\\\\cal T$, we prove a uniqueness theorem when the valence of the irregular vertex is not a multiple of $6$. Moreover, for a given integer $k >1$, we exhibit non isomorphic triangulations on $X$ with the same boundary, and with a unique irregular vertex whose valence is $6k$.
One hundred years of Lewis Chemical Bond!
Indian Academy of Sciences (India)
2016-09-20
Sep 20, 2016 ... Chemists knew how many electrons are there in each element and were also aware of stable electronic configurations. For example, 'inert gases' having. 8 electrons in the valence shell (now known as s and p orbitals) were very stable. Bonding in polar molecules, called electrovalent those days, such as ...
Sum rules and systematics for baryon magnetic moments
International Nuclear Information System (INIS)
Lipkin, H.J.
1983-11-01
The new experimental values of hyperon magnetic moments are compared with sum rules predicted from general quark models. Three difficulties encountered are not easily explained by simple models. The isovector contributions of nonstrange quarks to hyperon moments are smaller than the corresponding contribution to nucleon moments, indicating either appreciable configuration mixing in hyperon wave functions and absent in nucleons or an additional isovector contribution beyond that of valence quarks; e.g. from a pion cloud. The large magnitude of the THETA - moment may indicate that the strange quark contribution to the THETA moments is considerably larger than the value μ(Λ) predicted by simple models which have otherwise been very successful. The set of controversial values from different experiments of the Σ - moment include a value very close to -(1/2)μ(Σ + ) which would indicate that strange quarks do not contribute at all to the Σ moments. (author)
Sum rules and systematics for baryon magnetic moments
International Nuclear Information System (INIS)
Lipkin, H.J.
1984-01-01
The new experimental values of hyperon magnetic moments are compared with sum rules predicted from general quark models. Three difficulties encountered are not easily explained by simple models. The isovector contributions of nonstrange quarks to hyperon moments are smaller than the corresponding contribution to nucleon moments, indicating either appreciable configuration mixing in hyperon wave functions and absent in nucleons or an additional isovector contribution beyond that of valence quarks, e.g. from a pion cloud. The large magnitude of the Ψ - moment may indicate that the strange quark contribution to the Ψ moments is considerably larger than the value μ(Λ) predicted by simple models which have otherwise been very successful. The set of controversial values from different experiments of the Σ - moment include a value very close to -1/2μ(Σ + ) which would indicate that strange quarks do not contribute at all to the Σ moments. (orig.)
DEFF Research Database (Denmark)
Gross, Fridolin; Green, Sara
2017-01-01
Systems biologists often distance themselves from reductionist approaches and formulate their aim as understanding living systems “as a whole”. Yet, it is often unclear what kind of reductionism they have in mind, and in what sense their methodologies offer a more comprehensive approach. To addre......-up”. Specifically, we point out that system-level properties constrain lower-scale processes. Thus, large-scale modeling reveals how living systems at the same time are more and less than the sum of the parts....
Borwein, J M; McPhedran, R C
2013-01-01
The study of lattice sums began when early investigators wanted to go from mechanical properties of crystals to the properties of the atoms and ions from which they were built (the literature of Madelung's constant). A parallel literature was built around the optical properties of regular lattices of atoms (initiated by Lord Rayleigh, Lorentz and Lorenz). For over a century many famous scientists and mathematicians have delved into the properties of lattices, sometimes unwittingly duplicating the work of their predecessors. Here, at last, is a comprehensive overview of the substantial body of
Statistical sums of strings on hyperellyptic surfaces
International Nuclear Information System (INIS)
Lebedev, D.; Morozov, A.
1987-01-01
Contributions of hyperellyptic surfaces to statistical sums of string theories are presented. Available results on hyperellyptic surface give the apportunity to check factorization of three-loop statsum. Some remarks on the vanishing statistical sum are presented
Valence nucleons in self-consistent fields
International Nuclear Information System (INIS)
Di Toro, M.; Lomnitz-Adler, J.
1978-01-01
An iterative approach to determine directly the best Hartree-Fock one-body density rho is extended by expressing rho in terms of a core and a valence part and allowing for general crossings of occupied and unoccupied levels in the valence part. Results are shown for 152 Sm and a microscopic analysis of the core structure of deformed light nuclei is carried out. (author)
Theory for the mixed-valence state
International Nuclear Information System (INIS)
Varma, C.M.
1979-01-01
A theory is presented which explains why mixed-valence compounds behave as two component Fermi liquids, and why TmSe orders magnetically while the other known mixed-valence compounds do not. The variation of Tsub(N) and the field Hsub(T) to obtain ferromagnetic alignment with changing Tm 2+ /Tm 3+ ratio is quantitatively explained. For Tm 2+ concentration > = 0.3, TmSe is predicted to order ferromagnetically
Momentum sum rules for fragmentation functions
International Nuclear Information System (INIS)
Meissner, S.; Metz, A.; Pitonyak, D.
2010-01-01
Momentum sum rules for fragmentation functions are considered. In particular, we give a general proof of the Schaefer-Teryaev sum rule for the transverse momentum dependent Collins function. We also argue that corresponding sum rules for related fragmentation functions do not exist. Our model-independent analysis is supplemented by calculations in a simple field-theoretical model.
Valence force fields and the lattice dynamics of beryllium oxide
International Nuclear Information System (INIS)
Ramani, R.; Mani, K.K.; Singh, R.P.
1976-01-01
The lattice dynamics of beryllium oxide have been studied using a rigid-ion model, with short-range forces represented by a valence force field. Various existing calculations on group-IV elements using such a field have been examined as a prelude to transference of force constants from diamond to beryllium oxide. The effects of ionicity on the force constants have been included in the form of scale factors. It is shown that no satisfactory fit to the long-wavelength data on BeO can be found with transferred force constants. However, adequate least-squares fits can be found both with four- and six-parameter valence force fields, the discrepancy with experiment being large only for one optical mode at the Brillouin-zone center. Dispersion curves along Δ and Σ are presented and are in fair agreement with experiment, deviations arising essentially from the quality of the fit to the long-wavelength data. The bond-bending interactions are found to play a significant role and arguments have been presented to show that the inclusion of further angle-angle interactions would yield a very satisfactory picture of the dynamics
Pollack, Rachel H.
2000-01-01
Notes trends toward increased borrowing by colleges and universities and offers guidelines for institutions that are considering issuing bonds to raise money for capital projects. Discussion covers advantages of using bond financing, how use of bonds impacts on traditional fund raising, other cautions and concerns, and some troubling aspects of…
[Emotional valence of words in schizophrenia].
Jalenques, I; Enjolras, J; Izaute, M
2013-06-01
Emotion recognition is a domain in which deﬁcits have been reported in schizophrenia. A number of emotion classiﬁcation studies have indicated that emotion processing deﬁcits in schizophrenia are more pronounced for negative affects. Given the difﬁculty of developing material suitable for the study of these emotional deﬁcits, it would be interesting to examine whether patients suffering from schizophrenia are responsive to positively and negatively charged emotion-related words that could be used within the context of remediation strategies. The emotional perception of words was examined in a clinical experiment involving schizophrenia patients. This emotional perception was expressed by the patients in terms of the valence associated with the words. In the present study, we investigated whether schizophrenia patients would assign the same negative and positive valences to words as healthy individuals. Twenty volunteer, clinically stable, outpatients from the Psychiatric Service of the University Hospital of Clermont-Ferrand were recruited. Diagnoses were based on DSM-IV criteria. Global psychiatric symptoms were assessed using the Positive and Negative Symptoms Scale (PANSS). The patients had to evaluate the emotional valence of a set of 300 words on a 5-point scale ranging from "very unpleasant" to "very pleasant". . The collected results were compared with those obtained by Bonin et al. (2003) [13] from 97 University students. Correlational analyses of the two studies revealed that the emotional valences were highly correlated, i.e. the schizophrenia patients estimated very similar emotional valences. More precisely, it was possible to examine three separate sets of 100 words each (positive words, neutral words and negative words). The positive words that were evaluated were the more positive words from the norms collected by Bonin et al. (2003) [13], and the negative words were the more negative examples taken from these norms. The neutral words
Valence electron structure analysis of refining mecha-nism of Sc and Ti additions on aluminum
Institute of Scientific and Technical Information of China (English)
LI PieJie; YE YiCong; HE LiangJu
2009-01-01
The mechanism of the difference of refining effect between Sc and Ti adding to aluminum can not be explained substantially with traditional theory. Valence electron structures of AI-Ti and Al-Sc alloys have been studied by using the empirical electron theory of solids and molecules (EET). The covalent bond electron numbers and interfacial electron density differences are calculated. The conclusion is that, in the two alloys, different covalent bond electron numbers of nucleation particles, and different electron densities on the interface between the second phase particles and the matrix, fundamentally lead to the difference of refining effect between Sc and Ti adding to aluminum.
Decoding emotional valence from electroencephalographic rhythmic activity.
Celikkanat, Hande; Moriya, Hiroki; Ogawa, Takeshi; Kauppi, Jukka-Pekka; Kawanabe, Motoaki; Hyvarinen, Aapo
2017-07-01
We attempt to decode emotional valence from electroencephalographic rhythmic activity in a naturalistic setting. We employ a data-driven method developed in a previous study, Spectral Linear Discriminant Analysis, to discover the relationships between the classification task and independent neuronal sources, optimally utilizing multiple frequency bands. A detailed investigation of the classifier provides insight into the neuronal sources related with emotional valence, and the individual differences of the subjects in processing emotions. Our findings show: (1) sources whose locations are similar across subjects are consistently involved in emotional responses, with the involvement of parietal sources being especially significant, and (2) even though the locations of the involved neuronal sources are consistent, subjects can display highly varying degrees of valence-related EEG activity in the sources.
Sum rules for quasifree scattering of hadrons
Peterson, R. J.
2018-02-01
The areas d σ /d Ω of fitted quasifree scattering peaks from bound nucleons for continuum hadron-nucleus spectra measuring d2σ /d Ω d ω are converted to sum rules akin to the Coulomb sums familiar from continuum electron scattering spectra from nuclear charge. Hadronic spectra with or without charge exchange of the beam are considered. These sums are compared to the simple expectations of a nonrelativistic Fermi gas, including a Pauli blocking factor. For scattering without charge exchange, the hadronic sums are below this expectation, as also observed with Coulomb sums. For charge exchange spectra, the sums are near or above the simple expectation, with larger uncertainties. The strong role of hadron-nucleon in-medium total cross sections is noted from use of the Glauber model.
Emotions and false memories: valence or arousal?
Corson, Yves; Verrier, Nadège
2007-03-01
The effects of mood on false memories have not been studied systematically until recently. Some results seem to indicate that negative mood may reduce false recall and thus suggest an influence of emotional valence on false memory. The present research tested the effects of both valence and arousal on recall and recognition and indicates that the effect is actually due to arousal. In fact, whether participants' mood is positive, negative, or neutral, false memories are significantly more frequent under conditions of high arousal than under conditions of low arousal.
Valence electronic properties of porphyrin derivatives.
Stenuit, G; Castellarin-Cudia, C; Plekan, O; Feyer, V; Prince, K C; Goldoni, A; Umari, P
2010-09-28
We present a combined experimental and theoretical investigation of the valence electronic structure of porphyrin-derived molecules. The valence photoemission spectra of the free-base tetraphenylporphyrin and of the octaethylporphyrin molecule were measured using synchrotron radiation and compared with theoretical spectra calculated using the GW method and the density-functional method within the generalized gradient approximation. Only the GW results could reproduce the experimental data. We found that the contribution to the orbital energies due to electronic correlations has the same linear behavior in both molecules, with larger deviations in the vicinity of the HOMO level. This shows the importance of adequate treatment of electronic correlations in these organic systems.
Extremum uncertainty product and sum states
Energy Technology Data Exchange (ETDEWEB)
Mehta, C L; Kumar, S [Indian Inst. of Tech., New Delhi. Dept. of Physics
1978-01-01
The extremum product states and sum states of the uncertainties in non-commuting observables have been examined. These are illustrated by two specific examples of harmonic oscillator and the angular momentum states. It shows that the coherent states of the harmonic oscillator are characterized by the minimum uncertainty sum <(..delta..q)/sup 2/>+<(..delta..p)/sup 2/>. The extremum values of the sums and products of the uncertainties of the components of the angular momentum are also obtained.
QCD Sum Rules, a Modern Perspective
Colangelo, Pietro; Colangelo, Pietro; Khodjamirian, Alexander
2001-01-01
An introduction to the method of QCD sum rules is given for those who want to learn how to use this method. Furthermore, we discuss various applications of sum rules, from the determination of quark masses to the calculation of hadronic form factors and structure functions. Finally, we explain the idea of the light-cone sum rules and outline the recent development of this approach.
Directory of Open Access Journals (Sweden)
T. Paul de Cock
2014-08-01
Full Text Available Estimating the early parent–child bonding relationship can be valuable in research and practice. Retrospective dimensional measures of parental bonding provide a means for assessing the experience of the early parent–child relationship. However, combinations of dimensional scores may provide information that is not readily captured with a dimensional approach. This study was designed to assess the presence of homogeneous groups in the population with similar profiles on parental bonding dimensions. Using a short version of the Parental Bonding Instrument (PBI, three parental bonding dimensions (care, authoritarianism, and overprotection were used to assess the presence of unobserved groups in the population using latent profile analysis. The class solutions were regressed on 23 covariates (demographics, parental psychopathology, loss events, and childhood contextual factors to assess the validity of the class solution. The results indicated four distinct profiles of parental bonding for fathers as well as mothers. Parental bonding profiles were significantly associated with a broad range of covariates. This person-centered approach to parental bonding has broad utility in future research which takes into account the effect of parent–child bonding, especially with regard to “affectionless control” style parenting.
Decompounding random sums: A nonparametric approach
DEFF Research Database (Denmark)
Hansen, Martin Bøgsted; Pitts, Susan M.
Observations from sums of random variables with a random number of summands, known as random, compound or stopped sums arise within many areas of engineering and science. Quite often it is desirable to infer properties of the distribution of the terms in the random sum. In the present paper we...... review a number of applications and consider the nonlinear inverse problem of inferring the cumulative distribution function of the components in the random sum. We review the existing literature on non-parametric approaches to the problem. The models amenable to the analysis are generalized considerably...
Sum rules in the response function method
International Nuclear Information System (INIS)
Takayanagi, Kazuo
1990-01-01
Sum rules in the response function method are studied in detail. A sum rule can be obtained theoretically by integrating the imaginary part of the response function over the excitation energy with a corresponding energy weight. Generally, the response function is calculated perturbatively in terms of the residual interaction, and the expansion can be described by diagrammatic methods. In this paper, we present a classification of the diagrams so as to clarify which diagram has what contribution to which sum rule. This will allow us to get insight into the contributions to the sum rules of all the processes expressed by Goldstone diagrams. (orig.)
Bond lengths and bond strengths in compounds of the 5f elements
International Nuclear Information System (INIS)
Zachariasen, W.H.
1975-01-01
The variation of bond length (D) with bond strength (S) in normal valence compounds of 3d, 4d, 5d-4f, and 6d-5f elements can be represented approximately as D(S)=D(0.5) F(S), where D(0.5) is a characteristic constant for a given bond and F(S) an empirical function which is the same for all bonds. A bond strength Ssub(ij)=ssub(ji) is assigned to the bond between atoms i and j such that Σsub(j) Ssub(ij)=vsub(i) and Σsub(i) Ssub(ij)=vsub(j), where vsub(i) and vsub(j) are the normal valences of the two atoms. The function F(S) decreases monotonically with increasing S, and is normalized to unity at S=0.5, so that the constant D(0.5) has the physical meaning of being the bond length adjusted to S=0.5. The method described above was used to interpret and systematize the experimental results on bond lengths in oxides, halides, and oxyhalides of the 5f elements. (U.S.)
Double-valence-fluctuating molecules and superconductivity
International Nuclear Information System (INIS)
Hirsch, J.E.; Scalapino, D.J.
1985-01-01
We discuss the possibility of ''double-valence-fluctuating'' molecules, having two ground-state configurations differing by two electrons. We propose a possible realization of such a molecule, and experimental ways to look for it. We argue that a weakly coupled array of such molecules should give rise to a strong-coupling Shafroth-Blatt-Butler superconductor, with a high transition temperature
NEVER forget: negative emotional valence enhances recapitulation.
Bowen, Holly J; Kark, Sarah M; Kensinger, Elizabeth A
2017-07-10
A hallmark feature of episodic memory is that of "mental time travel," whereby an individual feels they have returned to a prior moment in time. Cognitive and behavioral neuroscience methods have revealed a neurobiological counterpart: Successful retrieval often is associated with reactivation of a prior brain state. We review the emerging literature on memory reactivation and recapitulation, and we describe evidence for the effects of emotion on these processes. Based on this review, we propose a new model: Negative Emotional Valence Enhances Recapitulation (NEVER). This model diverges from existing models of emotional memory in three key ways. First, it underscores the effects of emotion during retrieval. Second, it stresses the importance of sensory processing to emotional memory. Third, it emphasizes how emotional valence - whether an event is negative or positive - affects the way that information is remembered. The model specifically proposes that, as compared to positive events, negative events both trigger increased encoding of sensory detail and elicit a closer resemblance between the sensory encoding signature and the sensory retrieval signature. The model also proposes that negative valence enhances the reactivation and storage of sensory details over offline periods, leading to a greater divergence between the sensory recapitulation of negative and positive memories over time. Importantly, the model proposes that these valence-based differences occur even when events are equated for arousal, thus rendering an exclusively arousal-based theory of emotional memory insufficient. We conclude by discussing implications of the model and suggesting directions for future research to test the tenets of the model.
Chibotaru, Liviu F; Ungur, Liviu; Aronica, Christophe; Elmoll, Hani; Pilet, Guillaume; Luneau, Dominique
2008-09-17
A mixed-valence Co(II)/Co(III) heptanuclear wheel [Co(II)3Co(III)4(L)6(MeO)6] (LH2 = 1,1,1-trifluoro-7-hydroxy-4-methyl-5-aza-hept-3-en-2-one) has been synthesized and its crystal structure determined using single-crystal X-ray diffraction. The valence state of each cobalt ion was established by bond valence sum calculations. Studies of the temperature dependence of the magnetic susceptibility and the field dependence of the magnetization evidence ferromagnetic interactions within the compound. In order to understand the magnetic properties of this Co7 wheel, we performed ab initio calculations for each cobalt fragment at the CASSCF/CASPT2 level, including spin-orbit coupling effects within the SO-RASSI approach. The four Co(III) ions were found to be diamagnetic and to give a significant temperature-independent paramagnetic contribution to the susceptibility. The spin-orbit coupling on the three Co(II) sites leads to separations of approximately 200 cm(-1) between the ground and excited Kramers doublets, placing the Co7 wheel into a weak-exchange limit in which the lowest electronic states are adequately described by the anisotropic exchange interaction between the lowest Kramers doublets on Co(II) sites. Simulation of the exchange interaction was done within the Lines model, keeping the fully ab initio treatment of magnetic anisotropy effects on individual cobalt fragments using a recently developed methodology. A good description of the susceptibility and magnetization was obtained for nearest-neighbor (J1) and next-nearest-neighbor (J2) exchange parameters (1.5 and 5.5 cm(-1), respectively). The strong ferromagnetic interaction between distant cobalt ions arises as a result of low electron-promotion energies in the exchange bridges containing Co(III) ions. The calculations showed a large value of the magnetization along the main magnetic axis (10.1 mu(B)), which is a combined effect of the ferromagnetic exchange interaction and negative magnetic anisotropy on
Valence coordinate contributions to zero-point energy shifts due to hydrogen isotope substitutions
International Nuclear Information System (INIS)
Oi, Takao; Ishida, Takanobu
1986-01-01
The orthogonal approximation method for the zero-point energy (ZPE) developed previously has been applied to analyze the shifts in the ZPE, δ(ZPE), due to monodeuterium substitutions in methane, ethylene, ethane and benzene in terms of elements of F and G matrices. The δ(ZPE) can be expressed with a reasonable precision as a sum of contributions of individual valence coordinates and correction terms consisting of the first-order interactions between the coordinates. A further refinement in the precision is achieved by a set of small number of second-order terms, which can be estimated by a simple procedure. (author)
Some Finite Sums Involving Generalized Fibonacci and Lucas Numbers
Directory of Open Access Journals (Sweden)
E. Kılıç
2011-01-01
Full Text Available By considering Melham's sums (Melham, 2004, we compute various more general nonalternating sums, alternating sums, and sums that alternate according to (−12+1 involving the generalized Fibonacci and Lucas numbers.
Where Does Latin "Sum" Come From?
Nyman, Martti A.
1977-01-01
The derivation of Latin "sum,""es(s),""est" from Indo-European "esmi,""est,""esti" involves methodological problems. It is claimed here that the development of "sum" from "esmi" is related to the origin of the variation "est-st" (less than"esti"). The study is primarily concerned with this process, but chronological suggestions are also made. (CHK)
Compound sums and their applications in finance
R. Helmers (Roelof); B. Tarigan
2003-01-01
textabstractCompound sums arise frequently in insurance (total claim size in a portfolio) and in accountancy (total error amount in audit populations). As the normal approximation for compound sums usually performs very badly, one may look for better methods for approximating the distribution of a
Gauss Sum Factorization with Cold Atoms
International Nuclear Information System (INIS)
Gilowski, M.; Wendrich, T.; Mueller, T.; Ertmer, W.; Rasel, E. M.; Jentsch, Ch.; Schleich, W. P.
2008-01-01
We report the first implementation of a Gauss sum factorization algorithm by an internal state Ramsey interferometer using cold atoms. A sequence of appropriately designed light pulses interacts with an ensemble of cold rubidium atoms. The final population in the involved atomic levels determines a Gauss sum. With this technique we factor the number N=263193
Shapley Value for Constant-sum Games
Khmelnitskaya, A.B.
2002-01-01
It is proved that Young's axiomatization for the Shapley value by marginalism, efficiency, and symmetry is still valid for the Shapley value defined on the class of nonnegative constant-sum games and on the entire class of constant-sum games as well. To support an interest to study the class of
Superconvergent sum rules for the normal reflectivity
International Nuclear Information System (INIS)
Furuya, K.; Zimerman, A.H.; Villani, A.
1976-05-01
Families of superconvergent relations for the normal reflectivity function are written. Sum rules connecting the difference of phases of the reflectivities of two materials are also considered. Finally superconvergence relations and sum rules for magneto-reflectivity in the Faraday and Voigt regimes are also studied
Tadmor, Avia; McNally, Richard J; Engelhard, Iris M
2016-01-01
BACKGROUND AND OBJECTIVES: People who perform a cognitively demanding secondary task while recalling a distressing memory often experience the memory as less emotional, vivid, or accurate during subsequent recollections. In this experiment, we tested whether the emotional valence (positive versus
Sums and products of sets and estimates of rational trigonometric sums in fields of prime order
Energy Technology Data Exchange (ETDEWEB)
Garaev, Mubaris Z [National Autonomous University of Mexico, Institute of Mathematics (Mexico)
2010-11-16
This paper is a survey of main results on the problem of sums and products of sets in fields of prime order and their applications to estimates of rational trigonometric sums. Bibliography: 85 titles.
Current algebra sum rules for Reggeons
Carlitz, R
1972-01-01
The interplay between the constraints of chiral SU/sub 2/*SU/sub 2/ symmetry and Regge asymptotic behaviour is investigated. The author reviews the derivation of various current algebra sum rules in a study of the reaction pi + alpha to pi + beta . These sum rules imply that all particles may be classified in multiplets of SU/sub 2/*SU/sub 2/ and that each of these multiplets may contain linear combinations of an infinite number of physical states. Extending his study to the reaction pi + alpha to pi + pi + beta , he derives new sum rules involving commutators of the axial charge with the reggeon coupling matrices of the rho and f Regge trajectories. Some applications of these new sum rules are noted, and the general utility of these and related sum rules is discussed. (17 refs).
Study of QCD medium by sum rules
Energy Technology Data Exchange (ETDEWEB)
Mallik, S [Saha Institute of Nuclear Physics, Calcutta (India)
1998-08-01
Though it has no analogue in condensed matter physics, the thermal QCD sum rules can, nevertheless, answer questions of condensed matter type about the QCD medium. The ingredients needed to write such sum rules, viz. the operator product expansion and the spectral representation at finite temperature, are reviewed in detail. The sum rules are then actually written for the case of correlation function of two vector currents. Collecting information on the thermal average of the higher dimension operators from other sources, we evaluate these sum rules for the temperature dependent {rho}-meson parameters. Possibility of extracting more information from the combined set of all sum rules from different correlation functions is also discussed. (author) 30 refs., 2 figs.
Coloring sums of extensions of certain graphs
Directory of Open Access Journals (Sweden)
Johan Kok
2017-12-01
Full Text Available We recall that the minimum number of colors that allow a proper coloring of graph $G$ is called the chromatic number of $G$ and denoted $\\chi(G$. Motivated by the introduction of the concept of the $b$-chromatic sum of a graph the concept of $\\chi'$-chromatic sum and $\\chi^+$-chromatic sum are introduced in this paper. The extended graph $G^x$ of a graph $G$ was recently introduced for certain regular graphs. This paper furthers the concepts of $\\chi'$-chromatic sum and $\\chi^+$-chromatic sum to extended paths and cycles. Bipartite graphs also receive some attention. The paper concludes with patterned structured graphs. These last said graphs are typically found in chemical and biological structures.
International Nuclear Information System (INIS)
Brion, C.E.; McCarthy, I.E.; Suzuki, I.H.; Weigold, E.; Williams, G.R.J.; Bedford, K.L.; Kunz, A.B.; Weidman, R.
1981-12-01
The electron binding energy spectra and momentum distributions have been obtained for the valence orbitals of HBr and HI using noncoplanar symmetric electron coincidence spectroscopy at 1200eV. The weakly bonding inner valence ns orbitals, which have not been previously observed, have their spectroscopic (pole) strength severely split among a number of ion states. For HBr the strength of the main inner valence (ns) transition is 0.42 0.03 whereas for HI it is 0.37 0.04, in close agreement with that observed for the valence s orbitals of the corresponding isoelectronic inert gas atoms. The spectroscopic strength for the two outermost orbitals is found to be close to unity, in agreement with many body Green's function calculations. The measured momentum distributions are compared with several spherically averaged MO momentum distributions, as well as (for HBr) with a Green's function calculation of the generalized overlap amplitude (GOA). The GOA momentum distributions are in excellent agreement with the HBr data, both in shape and relative magnitude. Not all of the MO momentum distributions are in reasonable agreement with the data. Comparison is also made with the calculated momentum distributions for Kr, Br, Xe and I
A New Sum Analogous to Gauss Sums and Its Fourth Power Mean
Directory of Open Access Journals (Sweden)
Shaofeng Ru
2014-01-01
Full Text Available The main purpose of this paper is to use the analytic methods and the properties of Gauss sums to study the computational problem of one kind of new sum analogous to Gauss sums and give an interesting fourth power mean and a sharp upper bound estimate for it.
Valence-Dependent Belief Updating: Computational Validation
Directory of Open Access Journals (Sweden)
Bojana Kuzmanovic
2017-06-01
Full Text Available People tend to update beliefs about their future outcomes in a valence-dependent way: they are likely to incorporate good news and to neglect bad news. However, belief formation is a complex process which depends not only on motivational factors such as the desire for favorable conclusions, but also on multiple cognitive variables such as prior beliefs, knowledge about personal vulnerabilities and resources, and the size of the probabilities and estimation errors. Thus, we applied computational modeling in order to test for valence-induced biases in updating while formally controlling for relevant cognitive factors. We compared biased and unbiased Bayesian models of belief updating, and specified alternative models based on reinforcement learning. The experiment consisted of 80 trials with 80 different adverse future life events. In each trial, participants estimated the base rate of one of these events and estimated their own risk of experiencing the event before and after being confronted with the actual base rate. Belief updates corresponded to the difference between the two self-risk estimates. Valence-dependent updating was assessed by comparing trials with good news (better-than-expected base rates with trials with bad news (worse-than-expected base rates. After receiving bad relative to good news, participants' updates were smaller and deviated more strongly from rational Bayesian predictions, indicating a valence-induced bias. Model comparison revealed that the biased (i.e., optimistic Bayesian model of belief updating better accounted for data than the unbiased (i.e., rational Bayesian model, confirming that the valence of the new information influenced the amount of updating. Moreover, alternative computational modeling based on reinforcement learning demonstrated higher learning rates for good than for bad news, as well as a moderating role of personal knowledge. Finally, in this specific experimental context, the approach based on
International Nuclear Information System (INIS)
Akbari, S.; Khosrovshahi, G.B.; Mofidi, A.
2010-07-01
Let D be a t-(v, k, λ) design and let N i (D), for 1 ≤ i ≤ t, be the higher incidence matrix of D, a (0, 1)-matrix of size (v/i) x b, where b is the number of blocks of D. A zero-sum flow of D is a nowhere-zero real vector in the null space of N 1 (D). A zero-sum k-flow of D is a zero-sum flow with values in {±,...,±(k-1)}. In this paper we show that every non-symmetric design admits an integral zero-sum flow, and consequently we conjecture that every non-symmetric design admits a zero-sum 5-flow. Similarly, the definition of zero-sum flow can be extended to N i (D), 1 ≤ i ≤ t. Let D = t-(v,k, (v-t/k-t)) be the complete design. We conjecture that N t (D) admits a zero-sum 3-flow and prove this conjecture for t = 2. (author)
Fixed mass and scaling sum rules
International Nuclear Information System (INIS)
Ward, B.F.L.
1975-01-01
Using the correspondence principle (continuity in dynamics), the approach of Keppell-Jones-Ward-Taha to fixed mass and scaling current algebraic sum rules is extended so as to consider explicitly the contributions of all classes of intermediate states. A natural, generalized formulation of the truncation ideas of Cornwall, Corrigan, and Norton is introduced as a by-product of this extension. The formalism is illustrated in the familiar case of the spin independent Schwinger term sum rule. New sum rules are derived which relate the Regge residue functions of the respective structure functions to their fixed hadronic mass limits for q 2 → infinity. (Auth.)
Evaluative conditioning induces changes in sound valence
Directory of Open Access Journals (Sweden)
Anna C. Bolders
2012-04-01
Full Text Available Evaluative Conditioning (EC has hardly been tested in the auditory domain, but it is a potentially valuable research tool. In Experiment 1 we investigated whether the affective evaluation of short environmental sounds can be changed using affective words as unconditioned stimuli (US. Congruence effects on an affective priming task (APT for conditioned sounds demonstrated successful EC. Subjective ratings for sounds paired with negative words changed accordingly. In Experiment 2 we investigated whether the acquired valence remains stable after repeated presentation of the conditioned sound without the US or whether extinction occurs. The acquired affective value remained present, albeit weaker, even after 40 extinction trials. These results warrant the use of EC to study processing of short environmental sounds with acquired valence, even if this requires repeated stimulus presentations. This paves the way for studying processing of affective environmental sounds while effectively controlling low level-stimulus properties.
Directory of Open Access Journals (Sweden)
Irene Machado
2008-11-01
Full Text Available Nem sempre os temas candentes da investigação, numa determinada área do conhecimento, são colocados de maneira orgânica e organizada para o conjunto dos pesquisadores que sobre eles se debruçam. Quase nunca as edições cientícas, que se propõem a torná-los acessíveis a seus leitores, conseguem harmonizá-los sem correr os riscos de aproximações indevidas. A única forma de não incorrer em equívocos perigosos é assumir a idiossincrasia do temário diversificado que constitui o campo em questão. O leitor que ora inicia seu diálogo com este sétimo número de Galáxia não deve tomar esse preâmbulo por alerta, mas sim como tentativa de a revista manter a coerência face a seu compromisso de ser porta-voz dos temas e problemas da comunicação e da cultura pelo prisma das teorias semióticas que orientam o olhar dos vários colaboradores que encontram neste espaço uma tribuna aberta ao trânsito das diferenças. Basta um relance pelo sumário desta edição para que tal armação possa ser confirmada. Os textos que constituem o Fórum, respeitadas as singularidades, tratam de temas que são caros para as abordagens da comunicação e da semiótica na cultura. Temos o privilégio de publicar o texto inédito em português de Jakob von Uexküll em que o autor apresenta sua teoria da Umwelt, caracterizando formulações da biossemiótica sobre o signi.cado do entorno ou do espaço circundante, que são valiosas para compreender a percepção, a interação, o contexto, a informação, os códigos em ambientes de semiose. De um outro lugar - aquele modulado pela lógica da linguagem - Lucrécia Ferrara perscruta o campo conceitual que entende o design não pelo viés da operatividade, mas como processo semiótico-cognitivo. A outra ponta deste que pode ser um triálogo nos é dado pela comunicologia de Vilém Flusser. Para Michael Hanke, Flusser foi um dos grandes teóricos a investigar a importância da mídia para os
International Nuclear Information System (INIS)
Chandra, A.K.; Rao, V.S.
1996-01-01
The simplest prototypical hydrogen transfer reaction, i.e., H + H 2 → H 2 + H, is studied by the quantum-mechanical ab initio methods. Results reveal that during this reaction free valence which almost equals the square of the spin density develops on the migrating hydrogen atom. Bond orders are calculated using Mayer's formalism. Both the variations of bond orders and bond lengths along the reaction path are examined. This analysis reveals that the bond formation and bond cleavage processes in this reaction are not perfectly synchronous. The bond clevage process is slightly more advanced on the reaction path. 38 refs., 6 figs., 2 tabs
Human Amygdala Represents the Complete Spectrum of Subjective Valence
Jin, Jingwen; Zelano, Christina; Gottfried, Jay A.
2015-01-01
Although the amygdala is a major locus for hedonic processing, how it encodes valence information is poorly understood. Given the hedonic potency of odor stimuli and the amygdala's anatomical proximity to the peripheral olfactory system, we combined high-resolution fMRI with pattern-based multivariate techniques to examine how valence information is encoded in the amygdala. Ten human subjects underwent fMRI scanning while smelling 9 odorants that systematically varied in perceived valence. Representational similarity analyses showed that amygdala codes the entire dimension of valence, ranging from pleasantness to unpleasantness. This unidimensional representation significantly correlated with self-reported valence ratings but not with intensity ratings. Furthermore, within-trial valence representations evolved over time, prioritizing earlier differentiation of unpleasant stimuli. Together, these findings underscore the idea that both spatial and temporal features uniquely encode pleasant and unpleasant odor valence in the amygdala. The availability of a unidimensional valence code in the amygdala, distributed in both space and time, would create greater flexibility in determining the pleasantness or unpleasantness of stimuli, providing a mechanism by which expectation, context, attention, and learning could influence affective boundaries for guiding behavior. SIGNIFICANCE STATEMENT Our findings elucidate the mechanisms of affective processing in the amygdala by demonstrating that this brain region represents the entire valence dimension from pleasant to unpleasant. An important implication of this unidimensional valence code is that pleasant and unpleasant valence cannot coexist in the amygdale because overlap of fMRI ensemble patterns for these two valence extremes obscures their unique content. This functional architecture, whereby subjective valence maps onto a pattern continuum between pleasant and unpleasant poles, offers a robust mechanism by which context
5th International Conference on Valence Fluctuations
Malik, S
1987-01-01
During the Koln meeting (August 28-31, 1984), Irdia was chosen as the venue for the next International Conference on Valence Fluctuations. lhis was in recognition ard appreciation of the work done, both experimental ard theoretical, by the Irdian scientists in this area during the last decade. We decided to hold this Conference in the month of January, 1987 at Bangalore. lhe subject of Valence Fluctuations has kept itself alive ard active as it has provided many shocks ard suprises particularly among the Ce- ard U-based intermetallies. lhe richness of many interesting physical phenomena occurring in mixed valent materials, the flexibility of modifying their physical properties (by alloying, for example) ard the possibility of synthesizing a wide variety of new such materials seem to be the key factors in this regard. Barely six months before this Conference, an International Conference on Anomalous Rare Earths and Actinides (ICAREA) had been held at Grenoble (July, 1986) which also focussed on mixed valence a...
Valence fluctuations between two magnetic configurations
International Nuclear Information System (INIS)
Mazzaferro, J.O.
1982-01-01
The subject of this work is the study of a microscopic model which describes TmSe through its most important feature, i.e.: the valence fluctuations between two magnetic configurations. Chapter I is a general review of the most important physical properties of rare-earth systems with intermediate valence (I.V.) and a general description of experimental results and theoretical models on Tm compounds. In Chapter II the Hamiltonian model is discussed and the loss of rotational invariance is also analyzed. Chapter III is devoted to the study of non-stoichiometric Tsub(x)Se compounds. It is shown that these compounds can be considered as a mixture of TmSe (I.V. system) and Tm 3+ 0.87Se. Chapter IV is devoted to the calculation of spin-and charge susceptibilities. The results obtained permit to explain the essential features of the neutron scattering spectrum in TmSe. In Chapter V, an exactly solvable periodic Hamiltonian is presented. From the experimental results, some fundamental features are deduced to describe TmSe as an intermediate valence system whose two accessible ionic configurations are magnetic (degenerated fundamental state). (M.E.L) [es
A Bayesian analysis of QCD sum rules
International Nuclear Information System (INIS)
Gubler, Philipp; Oka, Makoto
2011-01-01
A new technique has recently been developed, in which the Maximum Entropy Method is used to analyze QCD sum rules. This approach has the virtue of being able to directly generate the spectral function of a given operator, without the need of making an assumption about its specific functional form. To investigate whether useful results can be extracted within this method, we have first studied the vector meson channel, where QCD sum rules are traditionally known to provide a valid description of the spectral function. Our results show a significant peak in the region of the experimentally observed ρ-meson mass, which is in agreement with earlier QCD sum rules studies and suggests that the Maximum Entropy Method is a strong tool for analyzing QCD sum rules.
Sum rules for nuclear collective excitations
International Nuclear Information System (INIS)
Bohigas, O.
1978-07-01
Characterizations of the response function and of integral properties of the strength function via a moment expansion are discussed. Sum rule expressions for the moments in the RPA are derived. The validity of these sum rules for both density independent and density dependent interactions is proved. For forces of the Skyrme type, analytic expressions for the plus one and plus three energy weighted sum rules are given for isoscalar monopole and quadrupole operators. From these, a close relationship between the monopole and quadrupole energies is shown and their dependence on incompressibility and effective mass is studied. The inverse energy weighted sum rule is computed numerically for the monopole operator, and an upper bound for the width of the monopole resonance is given. Finally the reliability of moments given by the RPA with effective interactions is discussed using simple soluble models for the hamiltonian, and also by comparison with experimental data
3He electron scattering sum rules
International Nuclear Information System (INIS)
Kim, Y.E.; Tornow, V.
1982-01-01
Electron scattering sum rules for 3 He are derived with a realistic ground-state wave function. The theoretical results are compared with the experimentally measured integrated cross sections. (author)
Sum formulas for reductive algebraic groups
DEFF Research Database (Denmark)
Andersen, Henning Haahr; Kulkarni, Upendra
2008-01-01
\\supset V^1 \\cdots \\supset V^r = 0$. The sum of the positive terms in this filtration satisfies a well known sum formula. If $T$ denotes a tilting module either for $G$ or $U_q$ then we can similarly filter the space $\\Hom_G(V,T)$, respectively $\\Hom_{U_q}(V,T)$ and there is a sum formula for the positive...... terms here as well. We give an easy and unified proof of these two (equivalent) sum formulas. Our approach is based on an Euler type identity which we show holds without any restrictions on $p$ or $l$. In particular, we get rid of previous such restrictions in the tilting module case....
Kobyłecka, Monika; Gu, Jiande; Rak, Janusz; Leszczynski, Jerzy
2008-01-01
The propensity of four representative conformations of 2'-deoxyadenosine-5'-monophosphate (5'-dAMPH) to bind an excess electron has been studied at the B3LYP /6-31++G(d,p) level. While isolated canonical adenine does not support stable valence anions in the gas phase, all considered neutral conformations of 5'-dAMPH form adiabatically stable anions. The type of an anionic 5'-dAMPH state, i.e., the valence, dipole bound, or mixed (valence/dipole bound), depends on the internal hydrogen bond(s) pattern exhibited by a particular tautomer. The most stable anion results from an electron attachment to the neutral syn-south conformer. The formation of this anion is associated with a barrier-free proton transfer triggered by electron attachment and the internal rotation around the C4'-C5' bond. The adiabatic electron affinity of the a&barbelow;south-syn anion is 1.19eV, while its vertical detachment energy is 1.89eV. Our results are compared with the photoelectron spectrum (PES) of 5'-dAMPH- measured recently by Stokes et al., [J. Chem. Phys. 128, 044314 (2008)]. The computational VDE obtained for the most stable anionic structure matches well with the experimental electron binding energy region of maximum intensity. A further understanding of DNA damage might require experimental and computational studies on the systems in which purine nucleotides are engaged in hydrogen bonding.
Gaussian sum rules for optical functions
International Nuclear Information System (INIS)
Kimel, I.
1981-12-01
A new (Gaussian) type of sum rules (GSR) for several optical functions, is presented. The functions considered are: dielectric permeability, refractive index, energy loss function, rotatory power and ellipticity (circular dichroism). While reducing to the usual type of sum rules in a certain limit, the GSR contain in general, a Gaussian factor that serves to improve convergence. GSR might be useful in analysing experimental data. (Author) [pt
Structural relations between nested harmonic sums
International Nuclear Information System (INIS)
Bluemlein, J.
2008-07-01
We describe the structural relations between nested harmonic sums emerging in the description of physical single scale quantities up to the 3-loop level in renormalizable gauge field theories. These are weight w=6 harmonic sums. We identify universal basic functions which allow to describe a large class of physical quantities and derive their complex analysis. For the 3-loop QCD Wilson coefficients 35 basic functions are required, whereas a subset of 15 describes the 3-loop anomalous dimensions. (orig.)
Structural relations between nested harmonic sums
Energy Technology Data Exchange (ETDEWEB)
Bluemlein, J.
2008-07-15
We describe the structural relations between nested harmonic sums emerging in the description of physical single scale quantities up to the 3-loop level in renormalizable gauge field theories. These are weight w=6 harmonic sums. We identify universal basic functions which allow to describe a large class of physical quantities and derive their complex analysis. For the 3-loop QCD Wilson coefficients 35 basic functions are required, whereas a subset of 15 describes the 3-loop anomalous dimensions. (orig.)
The Gross-Llewellyn Smith sum rule
International Nuclear Information System (INIS)
Scott, W.G.
1981-01-01
We present the most recent data on the Gross-Llewellyn Smith sum rule obtained from the combined BEBC Narrow Band Neon and GGM-PS Freon neutrino/antineutrino experiments. The data for the Gross-Llewellyn Smith sum rule as a function of q 2 suggest a smaller value for the QCD coupling constant parameter Λ than is obtained from the analysis of the higher moments. (author)
Electronuclear sum rules for the lightest nuclei
International Nuclear Information System (INIS)
Efros, V.D.
1992-01-01
It is shown that the model-independent longitudinal electronuclear sum rules for nuclei with A = 3 and A = 4 have an accuracy on the order of a percent in the traditional single-nucleon approximation with free nucleons for the nuclear charge-density operator. This makes it possible to test this approximation by using these sum rules. The longitudinal sum rules for A = 3 and A = 4 are calculated using the wave functions of these nuclei corresponding to a large set of realistic NN interactions. The values of the model-independent sum rules lie in the range of values calculated by this method. Model-independent expressions are obtained for the transverse sum rules for nuclei with A = 3 and A = 4. These sum rules are calculated using a large set of realistic wave functions of these nuclei. The contribution of the convection current and the changes in the results for different versions of realistic NN forces are given. 29 refs., 4 tabs
Transition sum rules in the shell model
Lu, Yi; Johnson, Calvin W.
2018-03-01
An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy-weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, which in the case of the EWSR is a double commutator. While most prior applications of the double commutator have been to special cases, we derive general formulas for matrix elements of both operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We apply this simple tool to a number of nuclides and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E 1 ) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground-state electric quadrupole (E 2 ) centroids in the s d shell.
Expansion around half-integer values, binomial sums, and inverse binomial sums
International Nuclear Information System (INIS)
Weinzierl, Stefan
2004-01-01
I consider the expansion of transcendental functions in a small parameter around rational numbers. This includes in particular the expansion around half-integer values. I present algorithms which are suitable for an implementation within a symbolic computer algebra system. The method is an extension of the technique of nested sums. The algorithms allow in addition the evaluation of binomial sums, inverse binomial sums and generalizations thereof
1980-01-01
It has been a decade since two seminal reviews demonstrated that mixed-valence compounds share many unique and fascinating features. The insight pro vided by those early works has promoted a great deal of both experimental and theoretical study. As a result of extensive efforts, our understanding of the bonding and properties of mixed-valence compounds has advanced substantially. There has been no compre hensive treatment of mixed-valence compounds since 1967, and the meeting convened at Oxford in September, 1979, provided a unique opportunity to examine the subject and its many ramifications. Mixed-valence compounds play an important role in many fields. Although the major impact of the subject has been in chemistry, its importance has become increasingly clear in solid state physics, geology, and biology. Extensive interest and effort in the field of molecular metals has demonstrated that mixed-valency is a prerequisite for high elec trical conductivity. The intense colors of many minerals have been s...
Charge transfer and bond lengths in YBa2Cu3-xMxO6+y
International Nuclear Information System (INIS)
Jorgensen, J.D.; Rhyne, J.J.; Neumann, D.A.; Miceli, P.F.; Tarascon, J.M.; Greene, L.H.; Barboux, P.
1989-01-01
We discuss the effects of doping on the Cu chain sites in YBa 2 Cu 3-x M x O 6+y . The relationship between bond lengths obtained from neutron scattering and charge transfer is evaluated in terms of bond valence. In particular, it is concluded that removing an oxygen from the chains transfers one electron to the planes. 24 refs., 3 figs
Valence skipping driven superconductivity and charge Kondo effect
International Nuclear Information System (INIS)
Yanagisawa, Takashi; Hase, Izumi
2013-01-01
Highlights: •Valence skipping in metallic compounds can give rise to an unconventional superconductivity. •Several elements in the periodic table show valence skipping (or valence missing), for example, Bi forms the compounds in valence states +3 and +5. •The doping of valence skipping elements will induce superconductivity and this will lead to a possibility of high temperature superconductivity. •We consider the Wolf model with negative-U impurities, and show a phase diagram including superconducting phase. •There is a high temperature region near the boundary. -- Abstract: Valence skipping in metallic compounds can give rise to an unconventional superconductivity. Several elements in the periodic table show valence skipping (or valence missing), for example, Bi forms the compounds in valence states +3 and +5. The doping of valence skipping elements will induce superconductivity and this will lead to a possibility of high temperature superconductivity. We consider the Wolf model with negative-U impurities, and show a phase diagram including superconducting phase. The superconducting state is changed into a metallic state with a local singlet as the attractive interaction |U| increases. There is a high temperature region near the boundary
Chemical Bond Parameters in Sr3MRhO6 (M=Rare earth)
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
Chemical bond parameters, that is, bond covalency, bond valence, macroscopic linear susceptibility, and oxidation states of elements in Sr3MRhO6 (M=Sm, Eu, Tb, Dy, Ho, Er, Yb) have been calculated. The results indicate that the bond covalency of M-O decreases sharply with the decrease of ionic radius of M3+ from Sm to Yb, while no obvious trend has been found for Rh-O and Sr-O bonds. The global instability index indicates that the crystal structures of Sr3MrhO6 (M = Sm, Eu, Tb, Dy, Ho) have strained bonds.
QCD sum rules in a Bayesian approach
International Nuclear Information System (INIS)
Gubler, Philipp; Oka, Makoto
2011-01-01
A novel technique is developed, in which the Maximum Entropy Method is used to analyze QCD sum rules. The main advantage of this approach lies in its ability of directly generating the spectral function of a given operator. This is done without the need of making an assumption about the specific functional form of the spectral function, such as in the 'pole + continuum' ansatz that is frequently used in QCD sum rule studies. Therefore, with this method it should in principle be possible to distinguish narrow pole structures form continuum states. To check whether meaningful results can be extracted within this approach, we have first investigated the vector meson channel, where QCD sum rules are traditionally known to provide a valid description of the spectral function. Our results exhibit a significant peak in the region of the experimentally observed ρ-meson mass, which agrees with earlier QCD sum rules studies and shows that the Maximum Entropy Method is a useful tool for analyzing QCD sum rules.
A bayesian approach to QCD sum rules
International Nuclear Information System (INIS)
Gubler, Philipp; Oka, Makoto
2010-01-01
QCD sum rules are analyzed with the help of the Maximum Entropy Method. We develop a new technique based on the Bayesion inference theory, which allows us to directly obtain the spectral function of a given correlator from the results of the operator product expansion given in the deep euclidean 4-momentum region. The most important advantage of this approach is that one does not have to make any a priori assumptions about the functional form of the spectral function, such as the 'pole + continuum' ansatz that has been widely used in QCD sum rule studies, but only needs to specify the asymptotic values of the spectral function at high and low energies as an input. As a first test of the applicability of this method, we have analyzed the sum rules of the ρ-meson, a case where the sum rules are known to work well. Our results show a clear peak structure in the region of the experimental mass of the ρ-meson. We thus demonstrate that the Maximum Entropy Method is successfully applied and that it is an efficient tool in the analysis of QCD sum rules. (author)
Thermal recombination: Beyond the valence quark approximation
Energy Technology Data Exchange (ETDEWEB)
Mueller, B. [Department of Physics, Duke University, Durham, NC 27708 (United States); Fries, R.J. [School of Physics and Astronomy, University of Minnesota, Minneapolis, MN 55455 (United States)]. E-mail: fries@physics.umn.edu; Bass, S.A. [Department of Physics, Duke University, Durham, NC 27708 (United States); RIKEN BNL Research Center, Brookhaven National Laboratory, Upton, NY 11973 (United States)
2005-07-07
Quark counting rules derived from recombination models agree well with data on hadron production at intermediate transverse momenta in relativistic heavy-ion collisions. They convey a simple picture of hadrons consisting only of valence quarks. We discuss the inclusion of higher Fock states that add sea quarks and gluons to the hadron structure. We show that, when recombination occurs from a thermal medium, hadron spectra remain unaffected by the inclusion of higher Fock states. However, the quark number scaling for elliptic flow is somewhat affected. We discuss the implications for our understanding of data from the Relativistic Heavy Ion Collider.
Valence electron momentum distributions in cadmium
International Nuclear Information System (INIS)
Frost, L.; Weigold, E.; Mitroy, J.
1982-08-01
The valence 5s and 4d electron momentum distributions in cadmium have been measured using noncoplanar symmetric (e, 2e) electron coincidence spectroscopy at a total energy of 1200eV. They are in close agreement with Hartree-Fock momentum distributions both in shape and relative magnitudes. Some satellite lines of very low intensity have been detected. A CI calculation of the Cd ground state and several Cd + ion states has been carried out to predict cross reactions for the ground state and various satellite transitions. The predictions are in agreement with the data
Reply to Isgur's comments on valence QCD
International Nuclear Information System (INIS)
Liu, K.F.
2000-01-01
With the goal of understanding the complexity of QCD and the role of symmetry in dynamics, the authors studied a field theory called Valence QCD (VQCD) in which the Z graphs are forbidden so that the Fock space is limited to the valence quarks. The authors calculated nucleon form factors, matrix elements, and hadron masses both with this theory and with quenched QCD on a set of lattices with the same gauge background. Comparing the results of the lattice calculations in these two theories, the authors drew conclusions regarding the SU(6) valence quark model and chiral symmetry. While recognizing the goal of VQCD, Nathan Isgur disagrees on some of the conclusions the authors have drawn. The foremost objection raised in section 2 is to their suggestion that the major part of the hyperfine splittings in baryons is due to Goldstone boson exchange and not one-gluon-exchange (OGE) interactions. The logic of Isgur's objection is that VQCD yields a spectroscopy vastly different from quenched QCD and therefore the structure of the hadrons (to which hyperfine splittings in a quark model are intimately tied) is also suspect so no definite conclusions are possible. To put this into perspective it should be emphasized at the outset that spectroscopy is only one aspect of hadron physics examined in section 1. The authors have studied the axial and scalar couplings of nucleon in terms of F A /D A and F S /D S , the neutron to proton magnetic moment ratio μn/μp, and various form factors. None of these results reveal any pathologies of hadron structure and turn out to be close to the SU(6) relations, as expected. In fact this is what motivated the study of valence degrees of freedom via VQCD. In section 2 the authors address specific issues related to spectroscopy in VQCD. Isgur also presented more general arguments against the idea of boson exchange as a contributor to hyperfine effects. A cornerstone of his discussion is the unifying aspect of OGE in a quark model picture. The
Reynolds, Cathryn
1989-01-01
The combined effect of the "Serrano" decision and Proposition 13 left California school districts with aging, overcrowded facilities. Chico schools won a $18.5 million general obligation bond election for facilities construction. With $11 billion needed for new school construction, California will need to tap local sources. A sidebar…
Suber, Lorenza; Bonamico, Mario; Fares, Vincenzo
1997-05-07
Within the transition metal oxide systems, vanadium presents a unique chemistry due to its capacity to form a great number of mixed-valence oxo clusters which often have the peculiarity to incorporate species that function, for size, shape, and charge, as templates. Prismatic, lustrous dark brown crystals of [(n-C(4)H(9))NH(3)](9)[V(19)O(49)].7H(2)O are obtained by reacting (n-C(4)H(9)NH(3))VO(3), VOSO(4), and (n-C(4)H(9))NH(2) in H(2)O. The X-ray crystal structure shows an ellipsoidal metal-oxo cluster formed by 15 VO(5) and 3 VO(4) polyhedra surrounding an almost regular VO(4) tetrahedron located on the 3-fold axis of a trigonal cell of dimensions a = 19.113(5) Å and c = 13.743(5) Å with space group P&thremacr; and Z = 2. Exponentially weighted bond valence sum calculations, manganometric titration of the V(IV) centers, and magnetic measurements are consistent with the presence of three localized and three delocalized electrons. Variable-temperature solid-state susceptibility studies indicate antiferromagnetic coupling between V(IV) centers. Cyclic voltammetry in acetonitrile shows a irreversible reduction at -1.24 V and a reversible oxidation at +0.17 V (vs Ag/AgCl). The title compound converts quantitatively to the metal oxide K(2)V(3)O(8) with an extended layered structure as soon as a potassium salt is added to a neutral aqueous solution of the polyoxoanion.
The valence electron structure and property analysis of TiC
Institute of Scientific and Technical Information of China (English)
无
2001-01-01
The valence electron structure of TiC was calculated by using the empirical electron theory of solids and molecules. The calculated results show that with the increase of temperature the number of common electrons of TiC increases, which indicates that TiC has a good thermal sta-bility; and there exists a close relationship between hardness and brittleness of TiC. According to the number of lattice electrons, the differences among the crystals with different structures can be explained qualitatively. Using the "bond- strengthening factor", the differences of hardness among the crystals with different structures can also be qualitatively explained to some extent.
Vacuum structure and QCD sum rules
International Nuclear Information System (INIS)
Shifman, M.A.
1992-01-01
The method of the QCD sum rules was and still is one of the most productive tools in a wide range of problems associated with the hadronic phenomenology. Many heuristic ideas, computational devices, specific formulae which are useful to theorists working not only in hadronic physics, have been accumulated in this method. Some of the results and approaches which have originally been developed in connection with the QCD sum rules can be and are successfully applied in related fields, as supersymmetric gauge theories, nontraditional schemes of quarks and leptons, etc. The amount of literature on these and other more basic problems in hadronic physics has grown enormously in recent years. This volume presents a collection of papers which provide an overview of all basic elements of the sum rule approach and priority has been given to the works which seemed most useful from a pedagogical point of view
Experimental results of the betatron sum resonance
International Nuclear Information System (INIS)
Wang, Y.; Ball, M.; Brabson, B.
1993-06-01
The experimental observations of motion near the betatron sum resonance, ν x + 2ν z = 13, are presented. A fast quadrupole (Panofsky-style ferrite picture-frame magnet with a pulsed power supplier) producing a betatron tune shift of the order of 0.03 at rise time of 1 μs was used. This quadrupole was used to produce betatron tunes which jumped past and then crossed back through a betatron sum resonance line. The beam response as function of initial betatron amplitudes were recorded turn by turn. The correlated growth of the action variables, J x and J z , was observed. The phase space plots in the resonance frame reveal the features of particle motion near the nonlinear sum resonance region
Inverse-moment chiral sum rules
International Nuclear Information System (INIS)
Golowich, E.; Kambor, J.
1996-01-01
A general class of inverse-moment sum rules was previously derived by the authors in a chiral perturbation theory (ChPT) study at two-loop order of the isospin and hypercharge vector-current propagators. Here, we address the evaluation of the inverse-moment sum rules in terms of existing data and theoretical constraints. Two kinds of sum rules are seen to occur: those which contain as-yet undetermined O(q 6 ) counterterms and those free of such quantities. We use the former to obtain phenomenological evaluations of two O(q 6 ) counterterms. Light is shed on the important but difficult issue regarding contributions of higher orders in the ChPT expansion. copyright 1996 The American Physical Society
Least square regularized regression in sum space.
Xu, Yong-Li; Chen, Di-Rong; Li, Han-Xiong; Liu, Lu
2013-04-01
This paper proposes a least square regularized regression algorithm in sum space of reproducing kernel Hilbert spaces (RKHSs) for nonflat function approximation, and obtains the solution of the algorithm by solving a system of linear equations. This algorithm can approximate the low- and high-frequency component of the target function with large and small scale kernels, respectively. The convergence and learning rate are analyzed. We measure the complexity of the sum space by its covering number and demonstrate that the covering number can be bounded by the product of the covering numbers of basic RKHSs. For sum space of RKHSs with Gaussian kernels, by choosing appropriate parameters, we tradeoff the sample error and regularization error, and obtain a polynomial learning rate, which is better than that in any single RKHS. The utility of this method is illustrated with two simulated data sets and five real-life databases.
Systematics of strength function sum rules
Directory of Open Access Journals (Sweden)
Calvin W. Johnson
2015-11-01
Full Text Available Sum rules provide useful insights into transition strength functions and are often expressed as expectation values of an operator. In this letter I demonstrate that non-energy-weighted transition sum rules have strong secular dependences on the energy of the initial state. Such non-trivial systematics have consequences: the simplification suggested by the generalized Brink–Axel hypothesis, for example, does not hold for most cases, though it weakly holds in at least some cases for electric dipole transitions. Furthermore, I show the systematics can be understood through spectral distribution theory, calculated via traces of operators and of products of operators. Seen through this lens, violation of the generalized Brink–Axel hypothesis is unsurprising: one expects sum rules to evolve with excitation energy. Furthermore, to lowest order the slope of the secular evolution can be traced to a component of the Hamiltonian being positive (repulsive or negative (attractive.
Vacuum structure and QCD sum rules
International Nuclear Information System (INIS)
Shifman, M.A.
1992-01-01
The method of the QCD sum rules was and still is one of the most productive tools in a wide range of problems associated with the hadronic phenomenology. Many heuristic ideas, computational devices, specific formulae which are useful to theorists working not only in hadronic physics, have been accumulated in this method. Some of the results and approaches which have been originally developed in connection with the QCD sum rules can be and are successfully applied in related fields, such as supersymmetric gauge theories, nontraditional schemes of quarks and leptons, etc. The amount of literature on these and other more basic problems in hadronic physics has grown enormously in recent years. This collection of papers provides an overview of all basic elements of the sum rule approach. Priority has been given to those works which seemed most useful from a pedagogical point of view
On the Computation of Correctly Rounded Sums
DEFF Research Database (Denmark)
Kornerup, Peter; Lefevre, Vincent; Louvet, Nicolas
2012-01-01
This paper presents a study of some basic blocks needed in the design of floating-point summation algorithms. In particular, in radix-2 floating-point arithmetic, we show that among the set of the algorithms with no comparisons performing only floating-point additions/subtractions, the 2Sum...... algorithm introduced by Knuth is minimal, both in terms of number of operations and depth of the dependency graph. We investigate the possible use of another algorithm, Dekker's Fast2Sum algorithm, in radix-10 arithmetic. We give methods for computing, in radix 10, the floating-point number nearest...... the average value of two floating-point numbers. We also prove that under reasonable conditions, an algorithm performing only round-to-nearest additions/subtractions cannot compute the round-to-nearest sum of at least three floating-point numbers. Starting from an algorithm due to Boldo and Melquiond, we also...
Sum rules for the quarkonium systems
International Nuclear Information System (INIS)
Burnel, A.; Caprasse, H.
1980-01-01
In the framework of the radial Schroedinger equation we derive in a very simple way sum rules relating the potential to physical quantities such as the energy eigenvalues and the square of the lth derivative of the eigenfunctions at the origin. These sum rules contain as particular cases well-known results such as the quantum version of the Clausius theorem in classical mechanics as well as Kramers's relations for the Coulomb potential. Several illustrations are given and the possibilities of applying them to the quarkonium systems are considered
Integrals of Lagrange functions and sum rules
Energy Technology Data Exchange (ETDEWEB)
Baye, Daniel, E-mail: dbaye@ulb.ac.be [Physique Quantique, CP 165/82, Universite Libre de Bruxelles, B 1050 Bruxelles (Belgium); Physique Nucleaire Theorique et Physique Mathematique, CP 229, Universite Libre de Bruxelles, B 1050 Bruxelles (Belgium)
2011-09-30
Exact values are derived for some matrix elements of Lagrange functions, i.e. orthonormal cardinal functions, constructed from orthogonal polynomials. They are obtained with exact Gauss quadratures supplemented by corrections. In the particular case of Lagrange-Laguerre and shifted Lagrange-Jacobi functions, sum rules provide exact values for matrix elements of 1/x and 1/x{sup 2} as well as for the kinetic energy. From these expressions, new sum rules involving Laguerre and shifted Jacobi zeros and weights are derived. (paper)
Valence photoelectron spectrum of KBr: Effects of electron correlation
International Nuclear Information System (INIS)
Calo, A.; Huttula, M.; Patanen, M.; Aksela, H.; Aksela, S.
2008-01-01
The valence photoelectron spectrum has been measured for molecular KBr. Experimental energies of the main and satellite structures have been compared with the results of ab initio calculations based on molecular orbital theory including configuration and multiconfiguration interaction approaches. Comparison between the experimental KBr spectrum and previously reported Kr valence photoelectron spectrum has also been performed in order to find out if electron correlation is of the same importance in the valence ionized state of KBr as in the corresponding state of Kr
International Nuclear Information System (INIS)
Anderson, R.C.
1976-01-01
A method is described for joining beryllium to beryllium by diffusion bonding. At least one surface portion of at least two beryllium pieces is coated with nickel. A coated surface portion is positioned in a contiguous relationship with another surface portion and subjected to an environment having an atmosphere at a pressure lower than ambient pressure. A force is applied on the beryllium pieces for causing the contiguous surface portions to abut against each other. The contiguous surface portions are heated to a maximum temperature less than the melting temperature of the beryllium, and the applied force is decreased while increasing the temperature after attaining a temperature substantially above room temperature. A portion of the applied force is maintained at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions
Temperature effects in the valence fluctuation of europium intermetallic compounds
International Nuclear Information System (INIS)
Menezes, O.L.T. de; Troper, A.; Gomes, A.A.
1978-03-01
A previously reported model for valence fluctuations in europium compound in order to account for thermal occupation effect. Experimental results are critically discussed and new experiments are suggested
Positive valence music restores executive control over sustained attention.
Baldwin, Carryl L; Lewis, Bridget A
2017-01-01
Music sometimes improves performance in sustained attention tasks. But the type of music employed in previous investigations has varied considerably, which can account for equivocal results. Progress has been hampered by lack of a systematic database of music varying in key characteristics like tempo and valence. The aims of this study were to establish a database of popular music varying along the dimensions of tempo and valence and to examine the impact of music varying along these dimensions on restoring attentional resources following performance of a sustained attention to response task (SART) vigil. Sixty-nine participants rated popular musical selections that varied in valence and tempo to establish a database of four musical types: fast tempo positive valence, fast tempo negative valence, slow tempo positive valence, and slow tempo negative valence. A second group of 89 participants performed two blocks of the SART task interspersed with either no break or a rest break consisting of 1 of the 4 types of music or silence. Presenting positive valence music (particularly of slow tempo) during an intermission between two successive blocks of the SART significantly decreased miss rates relative to negative valence music or silence. Results support an attentional restoration theory of the impact of music on sustained attention, rather than arousal theory and demonstrate a means of restoring sustained attention. Further, the results establish the validity of a music database that will facilitate further investigations of the impact of music on performance.
Fluorescence properties of valence-controlled Eu2+ and Mn2+ ions in aluminosilicate glasses
International Nuclear Information System (INIS)
Van Tuyen, Ho; Nonaka, Takamasa; Yamanaka, Ken-ichi; Chau, Pham Minh; Quy Hai, Nguyen Thi; Quang, Vu Xuan; Nogami, Masayuki
2017-01-01
Controlling of valence states of metal ions doped in glasses has attracted considerable interest due to the possibility of looking toward optical applications. In this study, new Na 2 O-Al 2 O 3 -SiO 2 glasses were developed to dope Eu 2+ and Mn 2+ with well controlled valence states by heating in H 2 gas atmosphere, and the changes in the valence state of doped-ions and their fluorescence properties were investigated using visible and infrared optical absorption spectroscopies, X-ray absorption fine structure spectroscopy, and fluorescence spectroscopy. Among Eu 3+ , Mn 3+ and Mn 2+ ions incorporated in the as-prepared glasses, the Eu 3+ and Mn 3+ ions were reduced to Eu 2+ and Mn 2+ ions, respectively, by heating in H 2 gas and OH bonds were concurrently formed. The fluorescence spectra of glasses heated in H 2 exhibited broad emission bands at 450 and 630 nm wavelength, assigned to the Eu 2+ and Mn 2+ , respectively, ions, in which the fluorescence intensity at 450 nm was observed to decrease with increasing Mn 2+ ion content. The increased fluorescence intensities were analyzed as the energy transfer from Eu 2+ to Mn 2+ ions and the energy transfer efficiency was estimated with a concentration of Eu 2+ and Mn 2+ ions.
Pentaquarks in QCD Sum Rule Approach
International Nuclear Information System (INIS)
Rodrigues da Silva, R.; Matheus, R.D.; Navarra, F.S.; Nielsen, M.
2004-01-01
We estimate the mass of recently observed pentaquak staes Ξ- (1862) and Θ+(1540) using two kinds of interpolating fields, containing two highly correlated diquarks, in the QCD sum rule approach. We obtained good agreement with the experimental value, using standard continuum threshold
Sums of two-dimensional spectral triples
DEFF Research Database (Denmark)
Christensen, Erik; Ivan, Cristina
2007-01-01
construct a sum of two dimensional modules which reflects some aspects of the topological dimensions of the compact metric space, but this will only give the metric back approximately. At the end we make an explicit computation of the last module for the unit interval in. The metric is recovered exactly...
Summing threshold logs in a parton shower
International Nuclear Information System (INIS)
Nagy, Zoltan; Soper, Davison E.
2016-05-01
When parton distributions are falling steeply as the momentum fractions of the partons increases, there are effects that occur at each order in α s that combine to affect hard scattering cross sections and need to be summed. We show how to accomplish this in a leading approximation in the context of a parton shower Monte Carlo event generator.
On Learning Ring-Sum-Expansions
DEFF Research Database (Denmark)
Fischer, Paul; Simon, H. -U.
1992-01-01
The problem of learning ring-sum-expansions from examples is studied. Ring-sum-expansions (RSE) are representations of Boolean functions over the base {#123;small infinum, (+), 1}#125;, which reflect arithmetic operations in GF(2). k-RSE is the class of ring-sum-expansions containing only monomials...... of length at most k:. term-RSE is the class of ring-sum-expansions having at most I: monomials. It is shown that k-RSE, k>or=1, is learnable while k-term-RSE, k>2, is not learnable if RPnot=NP. Without using a complexity-theoretical hypothesis, it is proven that k-RSE, k>or=1, and k-term-RSE, k>or=2 cannot...... be learned from positive (negative) examples alone. However, if the restriction that the hypothesis which is output by the learning algorithm is also a k-RSE is suspended, then k-RSE is learnable from positive (negative) examples only. Moreover, it is proved that 2-term-RSE is learnable by a conjunction...
Stark resonances: asymptotics and distributional Borel sum
International Nuclear Information System (INIS)
Caliceti, E.; Grecchi, V.; Maioli, M.
1993-01-01
We prove that the Stark effect perturbation theory of a class of bound states uniquely determines the position and the width of the resonances by Distributional Borel Sum. In particular the small field asymptotics of the width is uniquely related to the large order asymptotics of the perturbation coefficients. Similar results apply to all the ''resonances'' of the anharmonic and double well oscillators. (orig.)
Fibonacci Identities via the Determinant Sum Property
Spivey, Michael
2006-01-01
We use the sum property for determinants of matrices to give a three-stage proof of an identity involving Fibonacci numbers. Cassini's and d'Ocagne's Fibonacci identities are obtained at the ends of stages one and two, respectively. Catalan's Fibonacci identity is also a special case.
Summing threshold logs in a parton shower
Energy Technology Data Exchange (ETDEWEB)
Nagy, Zoltán [DESY,Notkestrasse 85, 22607 Hamburg (Germany); Soper, Davison E. [Institute of Theoretical Science, University of Oregon,Eugene, OR 97403-5203 (United States)
2016-10-05
When parton distributions are falling steeply as the momentum fractions of the partons increases, there are effects that occur at each order in α{sub s} that combine to affect hard scattering cross sections and need to be summed. We show how to accomplish this in a leading approximation in the context of a parton shower Monte Carlo event generator.
Demonstration of a Quantum Nondemolition Sum Gate
DEFF Research Database (Denmark)
Yoshikawa, J.; Miwa, Y.; Huck, Alexander
2008-01-01
The sum gate is the canonical two-mode gate for universal quantum computation based on continuous quantum variables. It represents the natural analogue to a qubit C-NOT gate. In addition, the continuous-variable gate describes a quantum nondemolition (QND) interaction between the quadrature...
Sum rule approach to nuclear vibrations
International Nuclear Information System (INIS)
Suzuki, T.
1983-01-01
Velocity field of various collective states is explored by using sum rules for the nuclear current. It is shown that an irrotational and incompressible flow model is applicable to giant resonance states. Structure of the hydrodynamical states is discussed according to Tomonaga's microscopic theory for collective motions. (author)
Generalizations of some zero sum theorems
Indian Academy of Sciences (India)
Let G be an abelian group of order n, written additively. The Davenport constant D(G) is defined to be the smallest natural number t such that any sequence of length t over G has a non-empty subsequence whose sum is zero. Another combinatorial invariant E(G). (known as the EGZ constant) is the smallest natural number t ...
Succinct partial sums and fenwick trees
DEFF Research Database (Denmark)
Bille, Philip; Christiansen, Anders Roy; Prezza, Nicola
2017-01-01
We consider the well-studied partial sums problem in succint space where one is to maintain an array of n k-bit integers subject to updates such that partial sums queries can be efficiently answered. We present two succint versions of the Fenwick Tree â€“ which is known for its simplicity...... and practicality. Our results hold in the encoding model where one is allowed to reuse the space from the input data. Our main result is the first that only requires nk + o(n) bits of space while still supporting sum/update in O(logbn)/O(blogbn) time where 2 â‰¤ b â‰¤ log O(1)n. The second result shows how optimal...... time for sum/update can be achieved while only slightly increasing the space usage to nk + o(nk) bits. Beyond Fenwick Trees, the results are primarily based on bit-packing and sampling â€“ making them very practical â€“ and they also allow for simple optimal parallelization....
Static and dynamical valence-charge-density properties of GaAs
International Nuclear Information System (INIS)
Pietsch, U.
1993-01-01
Owing to the close neighbourhood of Ga and As in Mendeleev's table, GaAs shows two fundamental classes of X-ray structure amplitudes distinguished by their extremely different scattering power. They are differently sensitive to the valence electron density (VED) redistribution caused by the chemical bond and must be measured by different experimental methods. Using such data, both the VED and the difference electron densities (DED) are calculated here. Comparison with theoretical densities shows that the VED is characterized by covalent, ionic and metallic contributions. The DED constructed from GaAs and Ge data demonstrates the electronic response caused by a ''protonic'' charge transfer between both f.c.c. sublattices as well as the transition from a purely covalent to a mixed covalent-ionic bond. Especially the charge-density accumulation between nearest neighbours (bond charge (BC)) depends on the distance between the bonding atoms and changes under the influence of any lattice deformation. This phenomenon is described by a BC-transfer model. Its direct experimental proof is given by measuring the variation of the scattering power of weak reflections under the influence of an external electric field. This experiment demonstrates that the ionicity of the bond changes in addition to the BC variation. (orig.)
Prediction of valence and arousal from music features
Den Brinker, A.C.; Van Dinther, C.H.B.A.; Skowronek, J.
2011-01-01
Mood is an important attribute of music and knowledge on mood can beused as a basic ingredient in music recommender and retrieval systems. Moods are assumed to be dominantly determined by two dimensions:valence and arousal. An experiment was conducted to attain data forsong-based ratings of valence
Investigating Valence and Autonomy in Children's Relationships with Imaginary Companions
McInnis, Melissa A.; Pierucci, Jillian M.; Gilpin, Ansley Tullos
2013-01-01
Little research has explored valence and autonomy in children's imaginary relationships. In the present study, a new interview (modeled after an existing measure for real relationships) was designed to elicit descriptions of both positive and negative interactions with imaginary companions and to provide a measure of relationship valence and…
Valence electron structure and properties of the ZrO2
Institute of Scientific and Technical Information of China (English)
2008-01-01
To reveal the properties of ZrO2 at the atom and electron levels, the valence elec- tron structures of three ZrO2 phases were analyzed on the basis of the empirical electron theory of solids and molecules. The results showed that the hybridization levels of Zr and O atoms in the m-ZrO2 were the same as those in the t-ZrO2, while those in the c-ZrO2 rose markedly. The electron numbers and bond energies on the strongest covalent bonds in the m-ZrO2 phase were the greatest, the values were 0.901106 and 157.5933 kJ/mol, respectively. Those in the t-ZrO2 phase took second place, which were 0.722182 and 123.9304 kJ/mol, and those in the c-ZrO2 phase were the smallest, which were 0.469323 and 79.0289 kJ/mol. According to the product of the bond energy on the strongest covalent bond and equivalent bond number (this value reflected the crystal cohesive energy), the order from the greatness to smallness was the c-ZrO2> t-ZrO2 > m-ZrO2. This showed that the m-phase bonds were the tightest, their energy was the smallest, the crystal cohe- sive energy of the m-phase was the largest, and the m-phase existed most stably at room temperature. So it must need energy or higher temperature to take apart the stronger covalent bonds to form a new phase.
Valence electron structure and properties of the ZrO2
Institute of Scientific and Technical Information of China (English)
LI JinPing; MENG SongHe; HAN JieCai; ZHANG XingHong
2008-01-01
To reveal the properties of ZrO2 at the atom and electron levels, the valence elec-tron structures of three ZrO2 phases were analyzed on the basis of the empirical electron theory of solids and molecules. The results showed that the hybridization levels of Zr and O atoms in the m-ZrO2 were the same as those in the t-ZrO2, while those in the c-ZrO2 rose markedly. The electron numbers and bond energies on the strongest covalent bonds in the m-ZrO2 phase were the greatest, the values were 0.901106 and 157.5933 kJ/mol, respectively. Those in the t-ZrO2 phase took second place, which were 0.722182 and 123.9304 kJ/mol, and those in the c-ZrO2 phase were the smallest, which were 0.469323 and 79.0289 kJ/mol. According to the product of the bond energy on the strongest covalent bond and equivalent bond number (this value reflected the crystal cohesive energy), the order from the greatness to smallness was the c-ZrO2 t-ZrO2 m-ZrO2. This showed that the m-phase bonds were the tightest, their energy was the smallest, the crystal cohe-sive energy of the m-phase was the largest, and the m-phase existed most stably at room temperature. So it must need energy or higher temperature to take apart the stronger covalent bonds to form a new phase.
Architectural Representation of Valence in the Limbic System
Namburi, Praneeth; Al-Hasani, Ream; Calhoon, Gwendolyn G; Bruchas, Michael R; Tye, Kay M
2016-01-01
In order to thrive, animals must be able to recognize aversive and appetitive stimuli within the environment and subsequently initiate appropriate behavioral responses. This assignment of positive or negative valence to a stimulus is a key feature of emotional processing, the neural substrates of which have been a topic of study for several decades. Until recently, the result of this work has been the identification of specific brain regions, such as the basolateral amygdala (BLA) and nucleus accumbens (NAc), as important to valence encoding. The advent of modern tools in neuroscience has allowed further dissection of these regions to identify specific populations of neurons signaling the valence of environmental stimuli. In this review, we focus upon recent work examining the mechanisms of valence encoding, and provide a model for the systematic investigation of valence within anatomically-, genetically-, and functionally defined populations of neurons. PMID:26647973
Limiting law excess sum rule for polyelectrolytes.
Landy, Jonathan; Lee, YongJin; Jho, YongSeok
2013-11-01
We revisit the mean-field limiting law screening excess sum rule that holds for rodlike polyelectrolytes. We present an efficient derivation of this law that clarifies its region of applicability: The law holds in the limit of small polymer radius, measured relative to the Debye screening length. From the limiting law, we determine the individual ion excess values for single-salt electrolytes. We also consider the mean-field excess sum away from the limiting region, and we relate this quantity to the osmotic pressure of a dilute polyelectrolyte solution. Finally, we consider numerical simulations of many-body polymer-electrolyte solutions. We conclude that the limiting law often accurately describes the screening of physical charged polymers of interest, such as extended DNA.
Geometric optimization and sums of algebraic functions
Vigneron, Antoine E.
2014-01-01
We present a new optimization technique that yields the first FPTAS for several geometric problems. These problems reduce to optimizing a sum of nonnegative, constant description complexity algebraic functions. We first give an FPTAS for optimizing such a sum of algebraic functions, and then we apply it to several geometric optimization problems. We obtain the first FPTAS for two fundamental geometric shape-matching problems in fixed dimension: maximizing the volume of overlap of two polyhedra under rigid motions and minimizing their symmetric difference. We obtain the first FPTAS for other problems in fixed dimension, such as computing an optimal ray in a weighted subdivision, finding the largest axially symmetric subset of a polyhedron, and computing minimum-area hulls.
Second harmonic generation and sum frequency generation
International Nuclear Information System (INIS)
Pellin, M.J.; Biwer, B.M.; Schauer, M.W.; Frye, J.M.; Gruen, D.M.
1990-01-01
Second harmonic generation and sum frequency generation are increasingly being used as in situ surface probes. These techniques are coherent and inherently surface sensitive by the nature of the mediums response to intense laser light. Here we will review these two techniques using aqueous corrosion as an example problem. Aqueous corrosion of technologically important materials such as Fe, Ni and Cr proceeds from a reduced metal surface with layer by layer growth of oxide films mitigated by compositional changes in the chemical makeup of the growing film. Passivation of the metal surface is achieved after growth of only a few tens of atomic layers of metal oxide. Surface Second Harmonic Generation and a related nonlinear laser technique, Sum Frequency Generation have demonstrated an ability to probe the surface composition of growing films even in the presence of aqueous solutions. 96 refs., 4 figs
Old tensor mesons in QCD sum rules
International Nuclear Information System (INIS)
Aliev, T.M.; Shifman, M.A.
1981-01-01
Tensor mesons f, A 2 and A 3 are analyzed within the framework of QCD sum rules. The effects of gluon and quark condensate is accounted for phenomenologically. Accurate estimates of meson masses and coupling constants of the lowest-lying states are obtained. It is shown that the masses are reproduced within theoretical uncertainty of about 80 MeV. The coupling of f meson to the corresponding quark current is determined. The results are in good aqreement with experimental data [ru
Disjoint sum forms in reliability theory
Directory of Open Access Journals (Sweden)
B. Anrig
2014-01-01
Full Text Available The structure function f of a binary monotone system is assumed to be known and given in a disjunctive normal form, i.e. as the logical union of products of the indicator variables of the states of its subsystems. Based on this representation of f, an improved Abraham algorithm is proposed for generating the disjoint sum form of f. This form is the base for subsequent numerical reliability calculations. The approach is generalized to multivalued systems. Examples are discussed.
Singlet axial constant from QCD sum rules
International Nuclear Information System (INIS)
Belitskij, A.V.; Teryaev, O.V.
1995-01-01
We analyze the singlet axial form factor of the proton for small momentum transferred in the framework of QCD sum rules using the interpolating nucleon current which explicitly accounts for the gluonic degrees of freedom. As the result we come to the quantitative prediction of the singlet axial constant. It is shown that the bilocal power corrections play the most important role in the analysis. 21 refs., 3 figs
Beautiful mesons from QCD spectral sum rules
International Nuclear Information System (INIS)
Narison, S.
1991-01-01
We discuss the beautiful meson from the point of view of the QCD spectral sum rules (QSSR). The bottom quark mass and the mixed light quark-gluon condensates are determined quite accurately. The decay constant f B is estimated and we present some arguments supporting this result. The decay constants and the masses of the other members of the beautiful meson family are predicted. (orig.)
A 2-categorical state sum model
Energy Technology Data Exchange (ETDEWEB)
Baratin, Aristide, E-mail: abaratin@uwaterloo.ca [Department of Applied Mathematics, University of Waterloo, 200 University Ave W, Waterloo, Ontario N2L 3G1 (Canada); Freidel, Laurent, E-mail: lfreidel@perimeterinstitute.ca [Perimeter Institute for Theoretical Physics, 31 Caroline Str. N, Waterloo, Ontario N2L 2Y5 (Canada)
2015-01-15
It has long been argued that higher categories provide the proper algebraic structure underlying state sum invariants of 4-manifolds. This idea has been refined recently, by proposing to use 2-groups and their representations as specific examples of 2-categories. The challenge has been to make these proposals fully explicit. Here, we give a concrete realization of this program. Building upon our earlier work with Baez and Wise on the representation theory of 2-groups, we construct a four-dimensional state sum model based on a categorified version of the Euclidean group. We define and explicitly compute the simplex weights, which may be viewed a categorified analogue of Racah-Wigner 6j-symbols. These weights solve a hexagon equation that encodes the formal invariance of the state sum under the Pachner moves of the triangulation. This result unravels the combinatorial formulation of the Feynman amplitudes of quantum field theory on flat spacetime proposed in A. Baratin and L. Freidel [Classical Quantum Gravity 24, 2027–2060 (2007)] which was shown to lead after gauge-fixing to Korepanov’s invariant of 4-manifolds.
International Nuclear Information System (INIS)
Lyubutin, I.S.; Terziev, V.G.; Gor'kov, V.P.
1989-01-01
The point charge model is used to calculate the lattice sums and determine the electrical field gradients (EFG) as well as the asymmetry parameters η for all cation sites of the rhombic and tetragonal phases of the superconductor YBa 2 Cu 3 O x . The cases of copper of different valency at the Cu 1 sites are considered separately and EFG and η values are calculated in the vicinity of local defects caused by differences in the number and ordering of the oxygen vacancies at the Cu1 sites
Institute of Scientific and Technical Information of China (English)
无
2009-01-01
The valence electronic structures of Fe, Co and Ni have been investigated with Empirical Electron Theory of Solids and Molecules. The magnetic moments, Curie temperature, cohesive energy and melting point have been calculated according to the valence electronic structure. These calculations fit the experimental data very well. Based on the calculations, the magnetic moments are proportional to the number of 3d magnetic electrons. Curie temperatures are related to the magnetic electrons and the bond lengths between magnetic atoms. Cohesive energies increase with the increase of the number of covalent electrons, and the decrease of the number of magnetic and dumb pair electrons. The melting point is mainly related to the number of covalent electron pairs distributed in the strongest bond. The contribution from the lattice electrons is very small, the dumb pair electrons weaken the melting point; however, the contribution to melting point of the magnetic electrons can be neglected. It reveals that the magnetic and thermal properties are closely related to the valence electronic structures, and the changes or transitions between the electrons obviously affect the physical properties.
Emotion and language: Valence and arousal affect word recognition
Brysbaert, Marc; Warriner, Amy Beth
2014-01-01
Emotion influences most aspects of cognition and behavior, but emotional factors are conspicuously absent from current models of word recognition. The influence of emotion on word recognition has mostly been reported in prior studies on the automatic vigilance for negative stimuli, but the precise nature of this relationship is unclear. Various models of automatic vigilance have claimed that the effect of valence on response times is categorical, an inverted-U, or interactive with arousal. The present study used a sample of 12,658 words, and included many lexical and semantic control factors, to determine the precise nature of the effects of arousal and valence on word recognition. Converging empirical patterns observed in word-level and trial-level data from lexical decision and naming indicate that valence and arousal exert independent monotonic effects: Negative words are recognized more slowly than positive words, and arousing words are recognized more slowly than calming words. Valence explained about 2% of the variance in word recognition latencies, whereas the effect of arousal was smaller. Valence and arousal do not interact, but both interact with word frequency, such that valence and arousal exert larger effects among low-frequency words than among high-frequency words. These results necessitate a new model of affective word processing whereby the degree of negativity monotonically and independently predicts the speed of responding. This research also demonstrates that incorporating emotional factors, especially valence, improves the performance of models of word recognition. PMID:24490848
Intersite interactions and susceptibility in mixed valence systems
International Nuclear Information System (INIS)
Xiaoqian Wang; Gao Lin; Bingjian Ni; Fusui Liu.
1985-10-01
This paper considers the effect of intersite processes on the susceptibility in mixed valence system. The method of thermodynamical perturbation used in this paper can also be generalized to study other properties of mixed valence system. The general formula of partition function of two-site interactions for the mixed valence system is given. The numerical calculations show that the intersite interaction is large enough to explain the minimum of susceptibility discovered in experiments. The different types of our theoretical curves predict that the susceptibility should exhibit a rich variety of behaviour at low temperature for various materials. (author)
Remark on the computation of mode sums
International Nuclear Information System (INIS)
Allen, Theodore J.; Olsson, M. G.; Schmidt, Jeffrey R.
2000-01-01
The computation of mode sums of the types encountered in basic quantum field theoretic applications is addressed with an emphasis on their expansions into functions of distance that can be interpreted as potentials. We show how to regularize and calculate the Casimir energy for the continuum Nambu-Goto string with massive ends as well as for the discrete Isgur-Paton non-relativistic string with massive ends. As an additional example, we examine the effect on the interquark potential of a constant Kalb-Ramond field strength interacting with a QCD string. (c) 2000 The American Physical Society
Sum rules in extended RPA theories
International Nuclear Information System (INIS)
Adachi, S.; Lipparini, E.
1988-01-01
Different moments m k of the excitation strength function are studied in the framework of the second RPA and of the extended RPA in which 2p2h correlations are explicitly introduced into the ground state by using first-order perturbation theory. Formal properties of the equations of motion concerning sum rules are derived and compared with those exhibited by the usual 1p1h RPA. The problem of the separation of the spurious solutions in extended RPA calculations is also discussed. (orig.)
DEFF Research Database (Denmark)
Triantafillou, Peter
2017-01-01
Supreme audit institutions (SAIs) are fundamental institutions in liberal democracies as they enable control of the exercise of state power. In order to maintain this function, SAIs must enjoy a high level of independence. Moreover, SAIs are increasingly expected to be also relevant for government...... and the execution of its policies by way of performance auditing. This article examines how and why the performance auditing of the Danish SAI pursues independence and relevance. It is argued that, in general, the simultaneous pursuit of independence and relevance is highly challenging and amounts to a zero-sum or...
Nuclear Symmetry Energy with QCD Sum Rule
International Nuclear Information System (INIS)
Jeong, K.S.; Lee, S.H.
2013-01-01
We calculate the nucleon self-energies in an isospin asymmetric nuclear matter using QCD sum rule. Taking the difference of these for the neutron and proton enables us to express an important part of the nuclear symmetry energy in terms of local operators. Calculating the operator product expansion up to mass dimension six operators, we find that the main contribution to the difference comes from the iso-vector scalar and vector operators, which is reminiscent to the case of relativistic mean field type theories where mesons with aforementioned quantum numbers produce the difference and provide the dominant mechanism for nuclear symmetry energy. (author)
Valence, magnetism and conduction in the intermediate valence compounds: the case SmB6
International Nuclear Information System (INIS)
Derr, J.
2006-09-01
In some rare earth based compounds, the 4f level is situated so close to the Fermi level that the valence of the compound can become intermediate between two integer values. The so called 'intermediate valence' compound of Samarium hexaboride (SmB 6 ) is one typical example of the exciting physics which can result from this quantum equilibrium between two valence configurations. The first configuration (Sm 2+ ) corresponds to an insulating and non magnetic state whereas the second one (Sm 3+ ) would theoretically give a magnetic and metallic ground state. This dissertation deals with the influence of pressure on this equilibrium. Specific heat measurements under pressure evidenced a new long range magnetic ordering for pressures higher than p c ∼ 10 GPa. On another hand, transport measurements measured for the first time in good conditions of hydrostatics found a reliable and reproducible critical pressure for the insulator to metal transition equal to p c . The phase diagram of SmB 6 is now well known and the observation for the first time of a magnetic anomaly in the high pressure resistivity curves certifies that the onset of the magnetic phase really coincide with the closure of the gap. This change at the critical pressure p c is discussed in a general frame taking into account the Kondo lattice temperature as a key parameter for the renormalization of the wavefunction from one integer configuration to the other whereas the valence itself is still intermediate. This general idea seems to be valid also for other systems studied in this dissertation like SmS or TmSe and could even be valid for more general cases (Ytterbium, Cerium). In the same time, resistivity measurements under uniaxial stress were undertaken. The result is a strong anisotropy effect observed on the pressure dependence of the residual resistivity in the compound SmB 6 . The comparison with the transport under hydrostatic conditions enables us to consider a new idea for the nature of the gap
Czech Academy of Sciences Publication Activity Database
Cooper, D.L.; Penotti, F.E.; Ponec, Robert
2017-01-01
Roč. 1116, Sl (2017), s. 40-49 ISSN 2210-271X Institutional support: RVO:67985858 Keywords : full GVB and spin-coupled * PI-system in O3 * domain-averaged fermi holes Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 1.549, year: 2016
Pluijm, van der R.; Vermeltfoort, A.Th.
1992-01-01
Bond strength is not a well defined property of masonry. Normally three types of bond strength can be distinguished: - tensile bond strength, - shear (and torsional) bond strength, - flexural bond strength. In this contribution the behaviour and strength of masonry in deformation controlled uniaxial
Sum-frequency generation echo and grating from interface
International Nuclear Information System (INIS)
Volkov, Victor
2014-01-01
The work addresses spectroscopy of fourth-order Sum Frequency Generation Echo and Grating responses as an experimental tool to study structure and dynamics at interfaces. First, it addresses experimental geometry to extract background-free fourth-order Echo and Grating responses. Further, the article provides the analytical expressions of the response functions for these nonlinearities. The derived expressions are used to model the χ (4) two-dimensional spectral responses of a hydrated methyl acetate, which resembles a hydrated carbonyl moiety at the polar outer side of a phospholipid membrane. Orientation, transition dipole moments, and Raman tensors are obtained from the results of classical and quantum calculations, respectively. The numerical studies for the nonlinear responses under different polarization schemes and timings suggest the possibility of securely factoring of spectral contributions of χ YYYZX and χ YYYZY macroscopic susceptibilities. As such, the nonlinearities provide an experimental perspective on orientation of a generic (low-symmetry) molecular system at interfaces. Besides, the spectral properties of the tensors may reflect correlations of the in-plane and out-of-plane field components specific to the interface. For the case of a phospholipid membrane, the experiment would address in-plane and out-of-plane anisotropy of hydrogen bonding and related dynamics
Sum-frequency generation echo and grating from interface
Energy Technology Data Exchange (ETDEWEB)
Volkov, Victor [Bereozovaya 2A, Konstantinovo, Moscow Region 140207 (Russian Federation)
2014-10-14
The work addresses spectroscopy of fourth-order Sum Frequency Generation Echo and Grating responses as an experimental tool to study structure and dynamics at interfaces. First, it addresses experimental geometry to extract background-free fourth-order Echo and Grating responses. Further, the article provides the analytical expressions of the response functions for these nonlinearities. The derived expressions are used to model the χ{sup (4)} two-dimensional spectral responses of a hydrated methyl acetate, which resembles a hydrated carbonyl moiety at the polar outer side of a phospholipid membrane. Orientation, transition dipole moments, and Raman tensors are obtained from the results of classical and quantum calculations, respectively. The numerical studies for the nonlinear responses under different polarization schemes and timings suggest the possibility of securely factoring of spectral contributions of χ{sub YYYZX} and χ{sub YYYZY} macroscopic susceptibilities. As such, the nonlinearities provide an experimental perspective on orientation of a generic (low-symmetry) molecular system at interfaces. Besides, the spectral properties of the tensors may reflect correlations of the in-plane and out-of-plane field components specific to the interface. For the case of a phospholipid membrane, the experiment would address in-plane and out-of-plane anisotropy of hydrogen bonding and related dynamics.
Statistical sum of bosonic string, compactified on an orbifold
International Nuclear Information System (INIS)
Morozov, A.; Ol'shanetskij, M.
1986-01-01
Expression for statistical sum of bosonic string, compactified on a singular orbifold, is presented. All the information about the orbifold is encoded the specific combination of theta-functions, which the statistical sum is expressed through
Robinson's radiation damping sum rule: Reaffirmation and extension
International Nuclear Information System (INIS)
Mane, S.R.
2011-01-01
Robinson's radiation damping sum rule is one of the classic theorems of accelerator physics. Recently Orlov has claimed to find serious flaws in Robinson's proof of his sum rule. In view of the importance of the subject, I have independently examined the derivation of the Robinson radiation damping sum rule. Orlov's criticisms are without merit: I work through Robinson's derivation and demonstrate that Orlov's criticisms violate well-established mathematical theorems and are hence not valid. I also show that Robinson's derivation, and his damping sum rule, is valid in a larger domain than that treated by Robinson himself: Robinson derived his sum rule under the approximation of a small damping rate, but I show that Robinson's sum rule applies to arbitrary damping rates. I also display more concise derivations of the sum rule using matrix differential equations. I also show that Robinson's sum rule is valid in the vicinity of a parametric resonance.
A new generalization of Hardy–Berndt sums
Indian Academy of Sciences (India)
4,11,18]. Berndt and Goldberg [4] found analytic properties of these sums and established infinite trigonometric series representations for them. The most important properties of Hardy–. Berndt sums are reciprocity theorems due to Berndt [3] ...
Isospin sum rules for inclusive cross-sections
Rotelli, P.; Suttorp, L.G.
1972-01-01
A systematic analysis of isospin sum rules is presented for the distribution functions of strong, electromagnetic weak inclusive processes. The general expression for these sum rules is given and some new examples are presented.
Effect of valence on the electromigration in silver
International Nuclear Information System (INIS)
Nguyen Van Doan
1970-01-01
It is shown that the apparent effective valence Z B ** of a solute deduced from experiments differs from the true effective valence Z B * defined in the atomic models by a corrective term due to the 'vacancy flow effect'. The experimental results suggest that this corrective term is very important and that it is negative for transition elements; this hypothesis is confirmed for the case of iron in a copper matrix. For the elements to the right of silver in the periodic table, where the correction can be neglected, the effective valence of the solute varies linearly with z (z + 1), z being the difference between the valency of the solute and the solvent; in contrast, the further the solute is from the solvent in the periodic table the more nearly the electronic structure of the ion at the saddle point resembles that of the ion at the equilibrium position. (author) [fr
Hole energy and momentum distributions in valence bands
International Nuclear Information System (INIS)
Laan, G. van der.
1982-01-01
In order to understand the electrical and magnetic properties of solids, the knowledge of the density of states and the dispersion relation of the valence bands is indispensable. This thesis offers some alternative methods to obtain information about the nature of the valence band. Part A deals with the energy distribution of the photoelectrons. A simple model, which explains the core hole satellite structure in compounds with large correlation effects between the valence band holes and the created photo-hole, is outlined. CuCl, CuX 2 (X = F Cl and Br) are studied, by photoemission and Auger electron spectroscopies in determining the valence band properties. Part B deals with the simultaneous measurement of the energy and the wave vector of the emitted electrons. A practical example is given for the determination of the dispersion relation in copper. The measurements of a surface resonance band and the distribution of the secondary electrons are also reported. (Auth.)
First-principle study on bonding mechanism of ZnO by LDA+U method
International Nuclear Information System (INIS)
Zhou, G.C.; Sun, L.Z.; Zhong, X.L.; Chen Xiaoshuang; Wei Lu; Wang, J.B.
2007-01-01
The electronic structure and the bonding mechanism of ZnO have been studied by using the Full-Potential Linear Augmented Plane Wave (FP-LAPW) method within the density-functional theory (DFT) based on LDA+U exchange correlation potential. The valence and the bonding charge density are calculated and compared with those derived from LDA and GGA to describe the bonding mechanism. The charge transfer along with the bonding process is analyzed by using the theory of Atoms in Molecules (AIM). The bonding, the topological characteristics and the p-d coupling effects on the bonding mechanism of ZnO are shown quantitatively with the critical points (CPs) along the bonding trajectory and the charge in the atomic basins. Meanwhile, the bonding characteristics for wurtzite, zinc blende and rocksalt phase of ZnO are discussed systematically in the present paper
QCD sum-rules for V-A spectral functions
International Nuclear Information System (INIS)
Chakrabarti, J.; Mathur, V.S.
1980-01-01
The Borel transformation technique of Shifman et al is used to obtain QCD sum-rules for V-A spectral functions. In contrast to the situation in the original Weinberg sum-rules and those of Bernard et al, the problem of saturating the sum-rules by low lying resonances is brought under control. Furthermore, the present sum-rules, on saturation, directly determine useful phenomenological parameters
7 CFR 42.132 - Determining cumulative sum values.
2010-01-01
... 7 Agriculture 2 2010-01-01 2010-01-01 false Determining cumulative sum values. 42.132 Section 42... Determining cumulative sum values. (a) The parameters for the on-line cumulative sum sampling plans for AQL's... 3 1 2.5 3 1 2 1 (b) At the beginning of the basic inspection period, the CuSum value is set equal to...
Deriving the Normalized Min-Sum Algorithm from Cooperative Optimization
Huang, Xiaofei
2006-01-01
The normalized min-sum algorithm can achieve near-optimal performance at decoding LDPC codes. However, it is a critical question to understand the mathematical principle underlying the algorithm. Traditionally, people thought that the normalized min-sum algorithm is a good approximation to the sum-product algorithm, the best known algorithm for decoding LDPC codes and Turbo codes. This paper offers an alternative approach to understand the normalized min-sum algorithm. The algorithm is derive...
Modulation of motor-meaning congruity effects for valenced words
Brookshire, Geoffrey; Ivry, Richard; Casasanto, Daniel
2010-01-01
We investigated the extent to which emotionally valenced words automatically cue spatio-motor representations. Participants made speeded button presses, moving their hand upward or downward while viewing words with positive or negative valence. Only the color of the words was relevant to the response; on target trials, there was no requirement to read the words or process their meaning. In Experiment 1, upward responses were faster for positive words, and downward for negative words. This eff...
Gottfried sum rule and mesonic exchanges in deuteron
International Nuclear Information System (INIS)
Kaptari, L.P.
1991-01-01
Recent NMC data on the experimental value of the Gottfried Sum are discussed. It is shown that the Gottfried Sum is sensitive to the nuclear structure corrections, viz. themesonic exchanges and binding effects. A new estimation of the Gottfried Sum is given. The obtained result is close to the quark-parton prediction of 1/3. 11 refs.; 2 figs
Extremal extensions for the sum of nonnegative selfadjoint relations
Hassi, Seppo; Sandovici, Adrian; De Snoo, Henk; Winkler, Henrik
2007-01-01
The sum A + B of two nonnegative selfadjoint relations (multivalued operators) A and B is a nonnegative relation. The class of all extremal extensions of the sum A + B is characterized as products of relations via an auxiliary Hilbert space associated with A and B. The so-called form sum extension
Moments of the weighted sum-of-digits function | Larcher ...
African Journals Online (AJOL)
The weighted sum-of-digits function is a slight generalization of the well known sum-of-digits function with the difference that here the digits are weighted by some weights. So for example in this concept also the alternated sum-of-digits function is included. In this paper we compute the first and the second moment of the ...
7 CFR 1726.205 - Multiparty lump sum quotations.
2010-01-01
... 7 Agriculture 11 2010-01-01 2010-01-01 false Multiparty lump sum quotations. 1726.205 Section 1726....205 Multiparty lump sum quotations. The borrower or its engineer must contact a sufficient number of... basis of written lump sum quotations, the borrower will select the supplier or contractor based on the...
Explaining the effect of event valence on unrealistic optimism.
Gold, Ron S; Brown, Mark G
2009-05-01
People typically exhibit 'unrealistic optimism' (UO): they believe they have a lower chance of experiencing negative events and a higher chance of experiencing positive events than does the average person. UO has been found to be greater for negative than positive events. This 'valence effect' has been explained in terms of motivational processes. An alternative explanation is provided by the 'numerosity model', which views the valence effect simply as a by-product of a tendency for likelihood estimates pertaining to the average member of a group to increase with the size of the group. Predictions made by the numerosity model were tested in two studies. In each, UO for a single event was assessed. In Study 1 (n = 115 students), valence was manipulated by framing the event either negatively or positively, and participants estimated their own likelihood and that of the average student at their university. In Study 2 (n = 139 students), valence was again manipulated and participants again estimated their own likelihood; additionally, group size was manipulated by having participants estimate the likelihood of the average student in a small, medium-sized, or large group. In each study, the valence effect was found, but was due to an effect on estimates of own likelihood, not the average person's likelihood. In Study 2, valence did not interact with group size. The findings contradict the numerosity model, but are in accord with the motivational explanation. Implications for health education are discussed.
Valence, arousal and cognitive control: A voluntary task switching study
Directory of Open Access Journals (Sweden)
Jelle eDemanet
2011-11-01
Full Text Available The present study focused on the interplay between arousal, valence and cognitive control. To this end, we investigated how arousal and valence associated with affective stimuli influenced cognitive flexibility when switching between tasks voluntarily. Three hypotheses were tested. First, a valence hypothesis that states that the positive valence of affective stimuli will facilitate both global and task-switching performance because of increased cognitive flexibility. Second, an arousal hypothesis that states that arousal, and not valence, will specifically impair task-switching performance by strengthening the previously executed task-set. Third, an attention hypothesis that states that both cognitive and emotional control ask for limited attentional resources, and predicts that arousal will impair both global and task-switching performance. The results showed that arousal affected task-switching but not global performance, possibly by phasic modulations of the noradrenergic system that reinforces the previously executed task. In addition, positive valence only affected global performance but not task-switching performance, possibly by phasic modulations of dopamine that stimulates the general ability to perform in a multitasking environment.
Emotional valence and the free-energy principle.
Joffily, Mateus; Coricelli, Giorgio
2013-01-01
The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world.
Emotional valence and the free-energy principle.
Directory of Open Access Journals (Sweden)
Mateus Joffily
Full Text Available The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world.
The study of the valence bond property in a two-different-quantum-dot molecule
Institute of Scientific and Technical Information of China (English)
王立民; 罗莹; 马本堃
2002-01-01
The electronic energy spectrum and wavefunction of a quantum-dot molecule are studied by means of the finite-element solution of the single electron Schrodinger equation. We find that the nature of the coupling can be covalent,two dots, the height of potential barrier, matching of the energies and parities of the orbital localized on each dot. Thebond property can be used to explain the experimental result obtained by Oosterkamp et al. (1998 Nature 395 873).
Murgich, Juan; Franco, Héctor J; San-Blas, Gioconda
2006-08-24
The molecular charge distribution of flucytosine (4-amino-5-fluoro-2-pyrimidone), uracil, 5-fluorouracil, and thymine was studied by means of density functional theory calculations (DFT). The resulting distributions were analyzed by means of the atoms in molecules (AIM) theory. Bonds were characterized through vectors formed with the charge density value, its Laplacian, and the bond ellipticity calculated at the bond critical point (BCP). Within each set of C=O, C-H, and N-H bonds, these vectors showed little dispersion. C-C bonds formed three different subsets, one with a significant degree of double bonding, a second corresponding to single bonds with a finite ellipticity produced by hyperconjugation, and a third one formed by a pure single bond. In N-C bonds, a decrease in bond length (an increase in double bond character) was not reflected as an increase in their ellipticity, as in all C-C bonds studied. It was also found that substitution influenced the N-C, C-O, and C-C bond ellipticity much more than density and its Laplacian at the BCP. The Laplacian of charge density pointed to the existence of both bonding and nonbonding maxima in the valence shell charge concentration of N, O, and F, while only bonding ones were found for the C atoms. The nonbonding maxima related to the sites for electrophilic attack and H bonding in O and N, while sites of nucleophilic attack were suggested by the holes in the valence shell of the C atoms of the carbonyl groups.
Tantalum surface oxidation: Bond relaxation, energy entrapment, and electron polarization
Energy Technology Data Exchange (ETDEWEB)
Guo, Yongling [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Bo, Maolin [Yangtze Normal University, College of Mechanical and Electrical Engineering, Chongqing 408100 (China); Wang, Yan [School of Information and Electronic Engineering, Hunan University of Science and Technology, Hunan 411201 (China); Liu, Yonghui [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Sun, Chang Q. [NOVITAS, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Huang, Yongli, E-mail: huangyongli@xtu.edu.cn [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China)
2017-02-28
Graphical abstract: The bond, electron and energy relaxation result in core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Highlights: • Increasing the oxygen coverage lowers the adsorption energy associated with lattice reconstruction. • Electrons transfer from Ta surface atoms to sp-hydrated oxygen, creating dipole moment that decreases the work function. • Oxygen chemisorption modified valence density-of-state (DOS) for Ta with four excessive DOS features: O−Ta bonding, O{sup 2−} lone pairs, Ta+ electron holes, and the lone-pair polarized Ta dipoles. • The bond, electron and energy relaxation between surface undercoordinated atoms are responsible for core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Abstract: A combination of photoelectron spectrometric analysis and density functional theory calculations has enabled reconciliation of the bond-energy-electron relaxation for the Ta(100, 110, 111) surfaces chemisorbed with oxygen at different coverages. Results show that increasing oxygen coverage lowers the adsorption energy associated with lattice reconstruction. Valence electrons transfer from Ta surface atoms to oxygen to create four excessive DOS features in terms of O−Ta bonding, lone pairs of oxygen, Ta{sup +} electron holes, and polarized Ta dipoles. Oxidation proceeds in the following dynamics: oxygen gets electrons from two neighboring Ta atoms left behind Ta{sup +}; the sp{sup 3}-orbital hybridization takes place with additional two electron lone pairs, the lone pairs polarize the other two Ta neighbors becoming dipoles. X-ray photoelectron spectral analysis results in the 4f binding energy of an isolated Ta atom and its shift upon bond formation and oxidation. Exercises provide not only a promising numerical approach for the quantitative information about the bond and electronic behavior but also consistent
Tantalum surface oxidation: Bond relaxation, energy entrapment, and electron polarization
International Nuclear Information System (INIS)
Guo, Yongling; Bo, Maolin; Wang, Yan; Liu, Yonghui; Sun, Chang Q.; Huang, Yongli
2017-01-01
Graphical abstract: The bond, electron and energy relaxation result in core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Highlights: • Increasing the oxygen coverage lowers the adsorption energy associated with lattice reconstruction. • Electrons transfer from Ta surface atoms to sp-hydrated oxygen, creating dipole moment that decreases the work function. • Oxygen chemisorption modified valence density-of-state (DOS) for Ta with four excessive DOS features: O−Ta bonding, O"2"− lone pairs, Ta+ electron holes, and the lone-pair polarized Ta dipoles. • The bond, electron and energy relaxation between surface undercoordinated atoms are responsible for core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Abstract: A combination of photoelectron spectrometric analysis and density functional theory calculations has enabled reconciliation of the bond-energy-electron relaxation for the Ta(100, 110, 111) surfaces chemisorbed with oxygen at different coverages. Results show that increasing oxygen coverage lowers the adsorption energy associated with lattice reconstruction. Valence electrons transfer from Ta surface atoms to oxygen to create four excessive DOS features in terms of O−Ta bonding, lone pairs of oxygen, Ta"+ electron holes, and polarized Ta dipoles. Oxidation proceeds in the following dynamics: oxygen gets electrons from two neighboring Ta atoms left behind Ta"+; the sp"3-orbital hybridization takes place with additional two electron lone pairs, the lone pairs polarize the other two Ta neighbors becoming dipoles. X-ray photoelectron spectral analysis results in the 4f binding energy of an isolated Ta atom and its shift upon bond formation and oxidation. Exercises provide not only a promising numerical approach for the quantitative information about the bond and electronic behavior but also consistent insight into the
DEFF Research Database (Denmark)
Rimmer, Nina Røhr
2016-01-01
Undervisningsmateriale. A bond is a debt security, similar to an ”I Owe You document” (IOU). When you purchase a bond, you are lending money to a government, municipality, corporation, federal agency or other entity known as the issuer. In return for the loan, the issuer promises to pay you...... a specified rate of interest during the life of the bond and to repay the face value of the bond (the principal) when it “matures,” or comes due. Among the types of bonds you can choose from are: Government securities, municipal bonds, corporate bonds, mortgage and asset-backed securities, federal agency...... securities and foreign government bonds....
Sum rules for charge transition density
Energy Technology Data Exchange (ETDEWEB)
Gul' karov, I S [Tashkentskij Politekhnicheskij Inst. (USSR)
1979-01-01
The form factors of the quadrupole and octupole oscillations of the /sup 12/C nucleus are compared with the predictions of the sum rules for the charge transition density (CTD). These rules allow one to obtain various CTDs which contain the components k: r/sup lambda + 2k-2/rho(r) and r/sup lambda + 2k-1)(drho(r)/dr) (k = 0, 1, 2...) and can be applied to analyze the inelastic scattering of high energy particles by nuclei. It is shown that the CTD under consideration have different radius dependence and describe the data essentially better (though ambiguously) than the Tassy and Steinwedel-Jensen models do. Recurrence formulas are derived for the ratios of the higher-order transition matrix elements and CTD. These formulas can be used to predict the CTD behavior for highly excited nuclear states.
Neutron matter within QCD sum rules
Cai, Bao-Jun; Chen, Lie-Wen
2018-05-01
The equation of state (EOS) of pure neutron matter (PNM) is studied in QCD sum rules (QCDSRs ). It is found that the QCDSR results on the EOS of PNM are in good agreement with predictions by current advanced microscopic many-body theories. Moreover, the higher-order density terms in quark condensates are shown to be important to describe the empirical EOS of PNM in the density region around and above nuclear saturation density although they play a minor role at subsaturation densities. The chiral condensates in PNM are also studied, and our results indicate that the higher-order density terms in quark condensates, which are introduced to reasonably describe the empirical EOS of PNM at suprasaturation densities, tend to hinder the appearance of chiral symmetry restoration in PNM at high densities.
Scattering and; Delay, Scale, and Sum Migration
Energy Technology Data Exchange (ETDEWEB)
Lehman, S K
2011-07-06
How do we see? What is the mechanism? Consider standing in an open field on a clear sunny day. In the field are a yellow dog and a blue ball. From a wave-based remote sensing point of view the sun is a source of radiation. It is a broadband electromagnetic source which, for the purposes of this introduction, only the visible spectrum is considered (approximately 390 to 750 nanometers or 400 to 769 TeraHertz). The source emits an incident field into the known background environment which, for this example, is free space. The incident field propagates until it strikes an object or target, either the yellow dog or the blue ball. The interaction of the incident field with an object results in a scattered field. The scattered field arises from a mis-match between the background refractive index, considered to be unity, and the scattering object refractive index ('yellow' for the case of the dog, and 'blue' for the ball). This is also known as an impedance mis-match. The scattering objects are referred to as secondary sources of radiation, that radiation being the scattered field which propagates until it is measured by the two receivers known as 'eyes'. The eyes focus the measured scattered field to form images which are processed by the 'wetware' of the brain for detection, identification, and localization. When time series representations of the measured scattered field are available, the image forming focusing process can be mathematically modeled by delayed, scaled, and summed migration. This concept of optical propagation, scattering, and focusing have one-to-one equivalents in the acoustic realm. This document is intended to present the basic concepts of scalar scattering and migration used in wide band wave-based remote sensing and imaging. The terms beamforming and (delayed, scaled, and summed) migration are used interchangeably but are to be distinguished from the narrow band (frequency domain) beamforming to determine
On sum rules for charge transition density
International Nuclear Information System (INIS)
Gul'karov, I.S.
1979-01-01
The form factors of the quadrupole and octupole oscillations of the 12 C nucleus are compared with the predictions of the sum rules for the charge transition density (CTD). These rules allow to obtain various CTD which contain the components k: rsup(lambda+2k-2)rho(r) and rsup(lambda+2k-1)(drho(r)/dr) (k=0, 1, 2...) and can be applied to analyze the inelastic scattering of high energy particles by nuclei. It is shown that the CTD under consideration have different radius dependence and describe the data essentially better (though ambiguously) than the Tassy and Steinwedel-Jensen models do. The recurrent formulas are derived for the ratios of the higher order transition matrix elements and CTD. These formulas can be used to predict the CTD behaviour for highly excited nuclear states
International Nuclear Information System (INIS)
Meyer, R.E.; Arnold, W.D.; Case, F.; Shiao, S.Y.; Palmer, D.A.
1983-01-01
Electrochemical arguments are advanced to illustrate that what is usually measured in practice is a mixed potential determined by the kinetics of the electrode processes occurring at the indicator electrode. Valence states can be altered electrochemically or by use of added chemical reagents, including redox couples which can hold the potential to relatively specific potentials. The disadvantage of added chemical reagents is that they may alter the characteristics of the sorption reactions by interaction with the sorbent. Electrochemical methods are versatile and do not add reagents, but in some caes the nuclide can adsorb on the electrode itself. A description is given of the application of the electrochemical method of valence control to determination of sorption of Np(V) on alumina. Valence state control and analysis can be used to study possible redox reactions on materials which might be used as backfill materials. A description is given of survey experiments with a number of sulfides and iron-containing materials. Valence state analysis is used on the initial solutions and leachate from acid leaches of the sorbent after the sorption experiment to help determine whether valence state change is occurring. The preliminary results indicate that on the sulfides tested, sorption occurs both with and without valence state change
Wire bonding in microelectronics
Harman, George G
2010-01-01
Wire Bonding in Microelectronics, Third Edition, has been thoroughly revised to help you meet the challenges of today's small-scale and fine-pitch microelectronics. This authoritative guide covers every aspect of designing, manufacturing, and evaluating wire bonds engineered with cutting-edge techniques. In addition to gaining a full grasp of bonding technology, you'll learn how to create reliable bonds at exceedingly high yields, test wire bonds, solve common bonding problems, implement molecular cleaning methods, and much more. Coverage includes: Ultrasonic bonding systems and technologies, including high-frequency systems Bonding wire metallurgy and characteristics, including copper wire Wire bond testing Gold-aluminum intermetallic compounds and other interface reactions Gold and nickel-based bond pad plating materials and problems Cleaning to improve bondability and reliability Mechanical problems in wire bonding High-yield, fine-pitch, specialized-looping, soft-substrate, and extreme-temperature wire bo...
Directory of Open Access Journals (Sweden)
Majid Ebrahimizadeh Abrishami
2016-11-01
Full Text Available An improved understanding of the correlation between the electronic properties of Mn-O bonds, activity and stability of electro-catalysts for the oxygen evolution reaction (OER is of great importance for an improved catalyst design. Here, an in-depth study of the relation between lattice structure, electronic properties and catalyst performance of the perovskite Ca1−xPrxMnO3 and the first-order RP-system Ca2−xPrxMnO4 at doping levels of x = 0, 0.25 and 0.5 is presented. Lattice structure is determined by X-ray powder diffraction and Rietveld refinement. X-ray absorption spectroscopy of Mn-L and O-K edges gives access to Mn valence and covalency of the Mn-O bond. Oxygen evolution activity and stability is measured by rotating ring disc electrode studies. We demonstrate that the highest activity and stability coincidences for systems with a Mn-valence state of +3.7, though also requiring that the covalency of the Mn-O bond has a relative minimum. This observation points to an oxygen evolution mechanism with high redox activity of Mn. Covalency should be large enough for facile electron transfer from adsorbed oxygen species to the MnO6 network; however, it should not be hampered by oxidation of the lattice oxygen, which might cause a crossover to material degradation. Since valence and covalency changes are not entirely independent, the introduction of the energy position of the eg↑ pre-edge peak in the O-K spectra as a new descriptor for oxygen evolution is suggested, leading to a volcano-like representation of the OER activity.
Bonding in Sulfur-Oxygen Compounds-HSO/SOH and SOO/OSO: An Example of Recoupled Pair π Bonding.
Lindquist, Beth A; Takeshita, Tyler Y; Woon, David E; Dunning, Thom H
2013-10-08
The ground states (X(2)A″) of HSO and SOH are extremely close in energy, yet their molecular structures differ dramatically, e.g., re(SO) is 1.485 Å in HSO and 1.632 Å in SOH. The SO bond is also much stronger in HSO than in SOH: 100.3 kcal/mol versus 78.8 kcal/mol [RCCSD(T)-F12/AVTZ]. Similar differences are found in the SO2 isomers, SOO and OSO, depending on whether the second oxygen atom binds to oxygen or sulfur. We report generalized valence bond and RCCSD(T)-F12 calculations on HSO/SOH and OSO/SOO and analyze the bonding in all four species. We find that HSO has a shorter and stronger SO bond than SOH due to the presence of a recoupled pair bond in the π(a″) system of HSO. Similarly, the bonding in SOO and OSO differs greatly. SOO is like ozone and has substantial diradical character, while OSO has two recoupled pair π bonds and negligible diradical character. The ability of the sulfur atom to form recoupled pair bonds provides a natural explanation for the dramatic variation in the bonding in these and many other sulfur-oxygen compounds.
Bonding and M?ssbauer Isomer Shifts in (Tl,Pb) - 1223 Cuprate
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
By using the chemical bond theory of dielectric description,the chemical bond parameters of (Tl,Pb) - 1223 was calculated.The results show that the Sr-O,Tl-O,and Ca-O types of bond have higher ionic character and the Cu-O types of bond have more covalent character.M?ssbauer isomer shifts of 57Fe and 119Sn doped in (Tl,Pb) -1223 were calculated by using the chemical environmental factor,he,defined by covalency and electronic polarizability.Four valence state tin and three valence iron sites were identified in 57Fe,and 119Sn doped (Tl,Pb) -1223 superconductor.We conclude that all of the Fe atoms substitute the Cu at square planar Cu (1) site,whereas Sn prefers to substitute the square pyramidal Cu (2) site.
Bonding and Moessbauer Isomer Shifts in （Hg,Pb）—1223 Cuprate
Institute of Scientific and Technical Information of China (English)
高发明; 田永君; 谌岩; 李东春; 董海峰; 张思远
2003-01-01
By using the chemical bond theory of dielectric description,the chemical bond parameters of(Hg,Pb)-1223 were calculated.The results show that the(Ba,Sr)-O and Ca-0 types of bond have higher ionic character,while the Cu-O and(Hg,Pb)-0 types of bond have more covalent character.Moessbauer isomer shifts of 57Fe and 119Sn doped in(Hg,Pb)-1223 were calculated by using the chemical environmental factor,he,defined by covalency and electronic polarizability.Four valence state tin and three valence iron sites were identified in 57Fe and 119Sn doped(Hg,Pb)-1223 superconductor.It can be concluded that all of the Fe atoms substitute the Cu at square planar Cu(1) site,Whereas Sn prefers to substitute the square pyramidal Cu(2) site.
Political Culture and Covalent Bonding. A Conceptual Model of Political Culture Change
Camelia Florela Voinea
2015-01-01
Our class of models aims at explaining the dynamics of political attitude change by means of the dynamic changes in values, beliefs, norms and knowledge with which it is associated. The model constructs a political culture perspective over the relationship between macro and micro levels of a society and polity. The model defines the bonding mechanism as a basic mechanism of the political culture change by taking inspiration from the valence bonding theory in Chemistry, which has inspired the ...
Electronic parameters of Sr2Nb2O7 and chemical bonding
DEFF Research Database (Denmark)
Atuchin, V.V.; Grivel, Jean-Claude; Korotkov, A.S.
2008-01-01
/2)) and Delta(O-Sr) = BE(O 1s)-BE(Sr 3d(5/2)), were used to characterize the valence electron transfer on the formation of the Nb-O and Sr-O bonds. The chemical bonding effects were considered on the basis of our XPS results for Sr2Nb2O7 and earlier published structural and XPS data for other Sr- or Nb...
Evaluation of the convolution sum involving the sum of divisors function for 22, 44 and 52
Directory of Open Access Journals (Sweden)
Ntienjem Ebénézer
2017-04-01
\\end{array} $ where αβ = 22, 44, 52, is evaluated for all natural numbers n. Modular forms are used to achieve these evaluations. Since the modular space of level 22 is contained in that of level 44, we almost completely use the basis elements of the modular space of level 44 to carry out the evaluation of the convolution sums for αβ = 22. We then use these convolution sums to determine formulae for the number of representations of a positive integer by the octonary quadratic forms a(x12+x22+x32+x42+b(x52+x62+x72+x82, $a\\,(x_{1}^{2}+x_{2}^{2}+x_{3}^{2}+x_{4}^{2}+b\\,(x_{5}^{2}+x_{6}^{2}+x_{7}^{2}+x_{8}^{2},$ where (a, b = (1, 11, (1, 13.
Effects of valence and divided attention on cognitive reappraisal processes.
Morris, John A; Leclerc, Christina M; Kensinger, Elizabeth A
2014-12-01
Numerous studies have investigated the neural substrates supporting cognitive reappraisal, identifying the importance of cognitive control processes implemented by prefrontal cortex (PFC). This study examined how valence and attention affect the processes used for cognitive reappraisal by asking participants to passively view or to cognitively reappraise positive and negative images with full or divided attention. When participants simply viewed these images, results revealed few effects of valence or attention. However, when participants engaged in reappraisal, there was a robust effect of valence, with the reappraisal of negative relative to positive images associated with more widespread activation, including within regions of medial and lateral PFC. There also was an effect of attention, with more lateral PFC recruitment when regulating with full attention and more medial PFC recruitment when regulating with divided attention. Within two regions of medial PFC and one region of ventrolateral PFC, there was an interaction between valence and attention: in these regions, divided attention reduced activity during reappraisal of positive but not negative images. Critically, participants continued to report reappraisal success even during the Divided Attention condition. These results suggest multiple routes to successful cognitive reappraisal, depending upon image valence and the availability of attentional resources. © The Author (2014). Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.
The acoustic correlates of valence depend on emotion family.
Belyk, Michel; Brown, Steven
2014-07-01
The voice expresses a wide range of emotions through modulations of acoustic parameters such as frequency and amplitude. Although the acoustics of individual emotions are well understood, attempts to describe the acoustic correlates of broad emotional categories such as valence have yielded mixed results. In the present study, we analyzed the acoustics of emotional valence for different families of emotion. We divided emotional vocalizations into "motivational," "moral," and "aesthetic" families as defined by the OCC (Ortony, Clore, and Collins) model of emotion. Subjects viewed emotional scenarios and were cued to vocalize congruent exclamations in response to them, for example, "Yay!" and "Damn!". Positive valence was weakly associated with high-pitched and loud vocalizations. However, valence interacted with emotion family for both pitch and amplitude. A general acoustic code for valence does not hold across families of emotion, whereas family-specific codes provide a more accurate description of vocal emotions. These findings are consolidated into a set of "rules of expression" relating vocal dimensions to emotion dimensions. Copyright © 2014 The Voice Foundation. Published by Mosby, Inc. All rights reserved.
Space-Valence Priming with Subliminal and Supraliminal Words
Directory of Open Access Journals (Sweden)
Ulrich eAnsorge
2013-02-01
Full Text Available To date it is unclear whether (1 awareness-independent non-evaluative semantic processes influence affective semantics and whether (2 awareness-independent affective semantics influence non-evaluative semantic processing. In the current study, we investigated these questions with the help of subliminal (masked primes and visible targets in a space-valence across-category congruence effect. In line with (1, we found that subliminal space prime words influenced valence classification of supraliminal target words (Experiment 1: Classifications were faster with a congruent prime (e.g., the prime ‘up’ before the target ‘happy’ than with an incongruent prime (e.g., the prime ‘up’ before the target ‘sad’. In contrast to (2, no influence of subliminal valence primes on the classification of supraliminal space targets into up- and down-words was found (Experiment 2. Control conditions showed that standard masked response-priming effects were found with both subliminal prime types, and that an across-category congruence effect was also found with supraliminal valence primes and spatial target words. The final Experiment 3 confirmed that the across-category congruence effect indeed reflected priming of target categorization of a relevant meaning category. Together, the data jointly confirmed prediction (1 that awareness-independent non-evaluative semantic priming influences valence judgments.
Effects of valence and divided attention on cognitive reappraisal processes
Leclerc, Christina M.; Kensinger, Elizabeth A.
2014-01-01
Numerous studies have investigated the neural substrates supporting cognitive reappraisal, identifying the importance of cognitive control processes implemented by prefrontal cortex (PFC). This study examined how valence and attention affect the processes used for cognitive reappraisal by asking participants to passively view or to cognitively reappraise positive and negative images with full or divided attention. When participants simply viewed these images, results revealed few effects of valence or attention. However, when participants engaged in reappraisal, there was a robust effect of valence, with the reappraisal of negative relative to positive images associated with more widespread activation, including within regions of medial and lateral PFC. There also was an effect of attention, with more lateral PFC recruitment when regulating with full attention and more medial PFC recruitment when regulating with divided attention. Within two regions of medial PFC and one region of ventrolateral PFC, there was an interaction between valence and attention: in these regions, divided attention reduced activity during reappraisal of positive but not negative images. Critically, participants continued to report reappraisal success even during the Divided Attention condition. These results suggest multiple routes to successful cognitive reappraisal, depending upon image valence and the availability of attentional resources. PMID:24493837
Social learning modulates the lateralization of emotional valence.
Shamay-Tsoory, Simone G; Lavidor, Michal; Aharon-Peretz, Judith
2008-08-01
Although neuropsychological studies of lateralization of emotion have emphasized valence (positive vs. negative) or type (basic vs. complex) dimensions, the interaction between the two dimensions has yet to be elucidated. The purpose of the current study was to test the hypothesis that recognition of basic emotions is processed preferentially by the right prefrontal cortex (PFC), whereas recognition of complex social emotions is processed preferentially by the left PFC. Experiment 1 assessed the ability of healthy controls and patients with right and left PFC lesions to recognize basic and complex emotions. Experiment 2 modeled the patient's data of Experiment 1 on healthy participants under lateralized displays of the emotional stimuli. Both experiments support the Type as well as the Valence Hypotheses. However, our findings indicate that the Valence Hypothesis holds for basic but less so for complex emotions. It is suggested that, since social learning overrules the basic preference of valence in the hemispheres, the processing of complex emotions in the hemispheres is less affected by valence.
International Nuclear Information System (INIS)
Menezes, Filipe; Fedorov, Alexander; Baleizão, Carlos; Berberan-Santos, Mário N; Valeur, Bernard
2013-01-01
Ensemble fluorescence decays are usually analyzed with a sum of exponentials. However, broad continuous distributions of lifetimes, either unimodal or multimodal, occur in many situations. A simple and flexible fitting function for these cases that encompasses the exponential is the Becquerel function. In this work, the applicability of the Becquerel function for the analysis of complex decays of several kinds is tested. For this purpose, decays of mixtures of four different fluorescence standards (binary, ternary and quaternary mixtures) are measured and analyzed. For binary and ternary mixtures, the expected sum of narrow distributions is well recovered from the Becquerel functions analysis, if the correct number of components is used. For ternary mixtures, however, satisfactory fits are also obtained with a number of Becquerel functions smaller than the true number of fluorophores in the mixture, at the expense of broadening the lifetime distributions of the fictitious components. The quaternary mixture studied is well fitted with both a sum of three exponentials and a sum of two Becquerel functions, showing the inevitable loss of information when the number of components is large. Decays of a fluorophore in a heterogeneous environment, known to be represented by unimodal and broad continuous distributions (as previously obtained by the maximum entropy method), are also measured and analyzed. It is concluded that these distributions can be recovered by the Becquerel function method with an accuracy similar to that of the much more complex maximum entropy method. It is also shown that the polar (or phasor) plot is not always helpful for ascertaining the degree (and kind) of complexity of a fluorescence decay. (paper)
The Asymptotic Joint Distribution of Self-Normalized Censored Sums and Sums of Squares
Hahn, Marjorie G.; Kuelbs, Jim; Weiner, Daniel C.
1990-01-01
Empirical versions of appropriate centering and scale constants for random variables which can fail to have second or even first moments are obtainable in various ways via suitable modifications of the summands in the partial sum. This paper discusses a particular modification, called censoring (which is a kind of winsorization), where the (random) number of summands altered tends to infinity but the proportion altered tends to zero as the number of summands increases. Some analytic advantage...
Sum rules and constraints on passive systems
International Nuclear Information System (INIS)
Bernland, A; Gustafsson, M; Luger, A
2011-01-01
A passive system is one that cannot produce energy, a property that naturally poses constraints on the system. A system in convolution form is fully described by its transfer function, and the class of Herglotz functions, holomorphic functions mapping the open upper half-plane to the closed upper half-plane, is closely related to the transfer functions of passive systems. Following a well-known representation theorem, Herglotz functions can be represented by means of positive measures on the real line. This fact is exploited in this paper in order to rigorously prove a set of integral identities for Herglotz functions that relate weighted integrals of the function to its asymptotic expansions at the origin and infinity. The integral identities are the core of a general approach introduced here to derive sum rules and physical limitations on various passive physical systems. Although similar approaches have previously been applied to a wide range of specific applications, this paper is the first to deliver a general procedure together with the necessary proofs. This procedure is described thoroughly and exemplified with examples from electromagnetic theory.
Sum frequency generation for surface vibrational spectroscopy
International Nuclear Information System (INIS)
Hunt, J.H.; Guyot-Sionnest, P.; Shen, Y.R.
1987-01-01
Surface vibrational spectroscopy is one of the best means for characterizing molecular adsorbates. For this reason, many techniques have been developed in the past. However, most of them suffer from poor sensitivity, low spectral and temporal resolution, and applications limited to vacuum solid interfaces. Recently, the second harmonic generation (SHG) technique was proved repeatedly to be a simple but versatile surface probe. It is highly sensitive and surface specific; it is also capable of achieving high temporal, spatial, and spectral resolution. Being an optical technique, it can be applied to any interface accessible by light. The only serious drawback is its lack of molecular selectivity. An obvious remedy is the extension of the technique to IR-visible sum frequency generation (SFG). Surface vibrational spectroscopy with submonolayer sensitivity is then possible using SFG with the help of a tunable IR laser. The authors report here an SFG measurement of the C-H stretch vibration of monolayers of molecules at air-solid and air-liquid interfaces
Doping and bond length contributions to Mn K-edge shift in La1 ...
Indian Academy of Sciences (India)
... corresponds to the shift in the center of gravity of the unoccupied Mn 4-band contributing to the Mn K-absorption edge region. This correspondence is then used to separate the doping and size contributions to the edge shift due to variation in the number of electrons in valence band and Mn-O bond lengths, respectively, ...
Analysis of surface bond lengths reported for chemisorption on metal surfaces
Mitchell, K. A. R.
1985-01-01
A review is given of bond length information available from the techniques of surface crystallography (particularly with LEED, SEXAFS and photoelectron diffraction) for chemisorption on well-defined surfaces of metals (M). For adsorbed main-group atoms (X), measured X-M interatomic distances for 38 combinations of X and M have been assessed with a bond order-bond length relation in combination with the Schomaker-Stevenson approach for determining single-bond lengths. When the surface bond orders are fixed primarily by the valency of X, this approach appears to provide a simple framework for predicing X-M surface bond lengths. Further, in cases where agreement has been reached from different surface crystallographic techniques, this framework has the potential for assessing refinements to the surface bonding model (e.g. in determining the roles of the effective surface valency of M, and of coordinate bonding and supplementary π bonding between X and M). Preliminary comparisons of structural data are also given for molecular adsorption (CO and ethylidyne) and for the chemisorption of other metal atoms.
Sum-over-histories representation for the causal Green function of free scalar field theory
International Nuclear Information System (INIS)
Rudolph, O.
1993-10-01
A set of Green functions G α (x-y), α element of [0, 2π], for free scalar field theory is introduced, varying between the Hadamard Green function Δ 1 (x-y) triple bond 0vertical stroke {φ(x), φ(y)}vertical stroke 0> and the causal Green function G π (x-y)=iΔ(x-y) triple bond [φ(x), φ(y)]. For every α element of [0, 2π] a path-integral representation for G α is obtained both in the configuration space and in the phase space of the classical relativistic particle. Especially setting α=π a sum-over-histories representation for the causal Green function is obtained. Furthermore using BRST theory an alternative path-integral representation for G α is presented. From these path integral representations the composition laws for the G α 's are derived using a modified path decomposition expansion. (orig.)
Contribution to the study of higher valency states of americium
International Nuclear Information System (INIS)
Langlet, Jean.
1976-01-01
Study of the chemistry of the higher valencies of americium in aqueous solutions and especially the autoreduction phenomenon. First a purification method of americium solutions is studied by precipitation, solvent extraction and ion exchange chromatography. Studies of higher valency states chemical properties are disturbed by the autoreduction phenomenon changing Am VI and Am V in Am III more stable. Stabilization of higher valency states, characterized by a steady concentration of Am VI in solution, can be done by complexation of Am VI and Am V ions or by a protecting effect of foreign ions. The original medium used has a complexing effect by SO 4 2- ions and a protecting effect by the system S 2 O 8 2- -Ag + consuming H 2 O 2 main reducing agent produced by water radiolysis. These effects are shown by the study of Am VI in acid and basic solutions. A mechanism of the stabilization effect is given [fr
Valence-to-core-detected X-ray absorption spectroscopy
DEFF Research Database (Denmark)
Hall, Eleanor R.; Pollock, Christopher J.; Bendix, Jesper
2014-01-01
X-ray absorption spectroscopy (XAS) can provide detailed insight into the electronic and geometric structures of transition-metal active sites in metalloproteins and chemical catalysts. However, standard XAS spectra inherently represent an average contribution from the entire coordination...... environment with limited ligand selectivity. To address this limitation, we have investigated the enhancement of XAS features using valence-to-core (VtC)-detected XAS, whereby XAS spectra are measured by monitoring fluorescence from valence-to-core X-ray emission (VtC XES) events. VtC emission corresponds...... to transitions from filled ligand orbitals to the metal 1s core hole, with distinct energetic shifts for ligands of differing ionization potentials. VtC-detected XAS data were obtained from multiple valence emission features for a series of well-characterized Mn model compounds; taken together, these data...
Conduction Mechanism of Valence Change Resistive Switching Memory: A Survey
Directory of Open Access Journals (Sweden)
Ee Wah Lim
2015-09-01
Full Text Available Resistive switching effect in transition metal oxide (TMO based material is often associated with the valence change mechanism (VCM. Typical modeling of valence change resistive switching memory consists of three closely related phenomena, i.e., conductive filament (CF geometry evolution, conduction mechanism and temperature dynamic evolution. It is widely agreed that the electrochemical reduction-oxidation (redox process and oxygen vacancies migration plays an essential role in the CF forming and rupture process. However, the conduction mechanism of resistive switching memory varies considerably depending on the material used in the dielectric layer and selection of electrodes. Among the popular observations are the Poole-Frenkel emission, Schottky emission, space-charge-limited conduction (SCLC, trap-assisted tunneling (TAT and hopping conduction. In this article, we will conduct a survey on several published valence change resistive switching memories with a particular interest in the I-V characteristic and the corresponding conduction mechanism.
RKKY interaction in mixed valence system and heavy fermion superconductivity
International Nuclear Information System (INIS)
Fusui Liu; Gao Lin; Lin Zonghan
1985-11-01
The 1-D RKKY interaction of mixed valence system is given by using the thermodynamic perturbation theory. The numerical comparisons of 1-D and 3-D RKKY interaction between systems with localized magnetic moments of mixed valence and non-mixed valence show that the former is much stronger than the latter. From some analyses we propose that the heavy Fermion superconductivity comes from the RKKY interaction between two local f electrons which hop off the impurity site to become two continuum electrons. The source of the two impurity electrons hopping is the Coulomb interaction. It is also emphasized that the RKKY interaction does not disappear for the Kondo lattice, when the temperature is less than the Kondo temperature. (author)
Direct double photoionization of the valence shell of Be
International Nuclear Information System (INIS)
Citrini, F.; Malegat, L.; Selles, P.; Kazansky, A.K.
2003-01-01
The hyperspherical R-matrix method with semiclassical outgoing waves is used to study the direct double photoionization (DPI) of the valence shell of the lightest alkaline earth-metal Be. The absolute fully integrated, singly, doubly, and triply differential cross sections obtained are compared with the single set of measurements available and with recent calculations based on the convergent close coupling and time-dependent close coupling methods. The level of agreement between all these data is very encouraging. A comparison is also made between the DPI of He and the direct DPI of the valence shell of Be. It confirms that the electron-electron correlations are stronger in the valence 2s shell of Be than in the 1s shell of He, thus contributing to a desirable clarification
Field-induced valence transition in rare-earth system
International Nuclear Information System (INIS)
Chattopadhaya, A.; Ghatak, S.K.
2000-01-01
The magnetic field-induced valence transition in rare-earth compound has been examined based on a pseudospin S=1 Ising model proposed earlier for valence transition. The model includes finite mixing between two pertinent ionic configurations (magnetic and non-magnetic) separated by an energy gap and with intersite interaction between rare-earth ions. Using the mean field approximation the magnetic behaviour and the critical field (H c ) for transition are obtained as a function of energy gap and temperature. The phase boundary defined in terms of reduced field H c /H co and reduced temperature T/T v (T v being valence transition temperature in absence of field) is nearly independent of energy gap. These results are in qualitative agreement with experimental observation in Yb- and Eu-compounds
A facilitative effect of negative affective valence on working memory.
Gotoh, Fumiko; Kikuchi, Tadashi; Olofsson, Ulrich
2010-06-01
Previous studies have shown that negatively valenced information impaired working memory performance due to an attention-capturing effect. The present study examined whether negative valence could also facilitate working memory. Affective words (negative, neutral, positive) were used as retro-cues in a working memory task that required participants to remember colors at different spatial locations on a computer screen. Following the cue, a target detection task was used to either shift attention to a different location or keep attention at the same location as the retro-cue. Finally, participants were required to discriminate the cued color from a set of distractors. It was found that negative cues yielded shorter response times (RTs) in the attention-shift condition and longer RTs in the attention-stay condition, compared with neutral and positive cues. The results suggest that negative affective valence may enhance working memory performance (RTs), provided that attention can be disengaged.
The Atom-Bond Connectivity Index of Catacondensed Polyomino Graphs
Chen, Jinsong; Liu, Jianping; Li, Qiaoliang
2013-01-01
Let G=(V,E) be a graph. The atom-bond connectivity (ABC) index is defined as the sum of weights ((du+dv−2)/dudv)1/2 over all edges uv of G, where du denotes the degree of a vertex u of G. In this paper, we give the atom-bond connectivity index of the zigzag chain polyomino graphs. Meanwhile, we obtain the sharp upper bound on the atom-bond connectivity index of catacondensed polyomino graphs with h squares and determine the corresponding extremal graphs.
International Nuclear Information System (INIS)
Teterin, Yu. A.; Ivanov, K. E.
1997-01-01
Development of precise X-ray photoelectron spectroscopy using X-ray radiation hν< 1.5 KeV allowed to carry out immediate investigations of fine spectra structure of both weakly bond and deep electrons. Based on the experiments and the obtained results it may be concluded: 1. Under favourable conditions the inner valence molecular orbitals (IVMO) may form in all actinide compounds. 2. The XPS spectra fine structure stipulated by IVMO electrons allows to judge upon the degree of participation of the filled AO electrons in the chemical bond, on the structure o considered atom close environment and the bond lengths in compounds. For amorphous compounds the obtaining of such data based on X-ray structure analysis is restricted. 3. The summary contribution of IVMO electrons to the absolute value of the chemical bonding is comparable with the corresponding value of OMO electrons contribution to the atomic bonding. This fact is very important and new in chemistry. (author)
Light cone sum rules in nonabelian gauge field theory
Energy Technology Data Exchange (ETDEWEB)
Mallik, S [Bern Univ. (Switzerland). Inst. fuer Theoretische Physik
1981-03-24
The author examines, in the context of nonabelian gauge field theory, the derivation of the light cone sum rules which were obtained earlier on the assumption of dominance of canonical singularity in the current commutator on the light cone. The retarded scaling functions appearing in the sum rules are numbers known in terms of the charges of the quarks and the number of quarks and gluons in the theory. Possible applications of the sum rules are suggested.
On the Laplace transform of the Weinberg type sum rules
International Nuclear Information System (INIS)
Narison, S.
1981-09-01
We consider the Laplace transform of various sum rules of the Weinberg type including the leading non-perturbative effects. We show from the third type Weinberg sum rules that 7.5 to 8.9 1 coupling to the W boson, while the second sum rule gives an upper bound on the A 1 mass (Msub(A 1 ) < or approx. 1.25 GeV). (author)
Premium Pricing of Liability Insurance Using Random Sum Model
Kartikasari, Mujiati Dwi
2017-01-01
Premium pricing is one of important activities in insurance. Nonlife insurance premium is calculated from expected value of historical data claims. The historical data claims are collected so that it forms a sum of independent random number which is called random sum. In premium pricing using random sum, claim frequency distribution and claim severity distribution are combined. The combination of these distributions is called compound distribution. By using liability claim insurance data, we ...
On poisson-stopped-sums that are mixed poisson
Valero Baya, Jordi; Pérez Casany, Marta; Ginebra Molins, Josep
2013-01-01
Maceda (1948) characterized the mixed Poisson distributions that are Poisson-stopped-sum distributions based on the mixing distribution. In an alternative characterization of the same set of distributions here the Poisson-stopped-sum distributions that are mixed Poisson distributions is proved to be the set of Poisson-stopped-sums of either a mixture of zero-truncated Poisson distributions or a zero-modification of it. Peer Reviewed
Inclusive sum rules and spectra of neutrons at the ISR
International Nuclear Information System (INIS)
Grigoryan, A.A.
1975-01-01
Neutron spectra in pp collisions at ISR energies are studied in the framework of sum rules for inclusive processes. The contributions of protons, π- and E- mesons to the energy sum rule are calculated at √5 = 53 GeV. It is shown by means of this sum rule that the spectra of neutrons at the ISR are in contradiction with the spectra of other particles also measured at the ISR
Singular f-sum rule for superfluid 4He
International Nuclear Information System (INIS)
Wong, V.K.
1979-01-01
The validity and applicability to inelastic neutron scattering of a singular f-sum rule for superfluid helium, proposed by Griffin to explain the rhosub(s) dependence in S(k, ω) as observed by Woods and Svensson, are examined in the light of similar sum rules rigorously derived for anharmonic crystals and Bose liquids. It is concluded that the singular f-sum rules are only of microscopic interest. (Auth,)
Compound Poisson Approximations for Sums of Random Variables
Serfozo, Richard F.
1986-01-01
We show that a sum of dependent random variables is approximately compound Poisson when the variables are rarely nonzero and, given they are nonzero, their conditional distributions are nearly identical. We give several upper bounds on the total-variation distance between the distribution of such a sum and a compound Poisson distribution. Included is an example for Markovian occurrences of a rare event. Our bounds are consistent with those that are known for Poisson approximations for sums of...
Coulomb sum rules in the relativistic Fermi gas model
International Nuclear Information System (INIS)
Do Dang, G.; L'Huillier, M.; Nguyen Giai, Van.
1986-11-01
Coulomb sum rules are studied in the framework of the Fermi gas model. A distinction is made between mathematical and observable sum rules. Differences between non-relativistic and relativistic Fermi gas predictions are stressed. A method to deduce a Coulomb response function from the longitudinal response is proposed and tested numerically. This method is applied to the 40 Ca data to obtain the experimental Coulomb sum rule as a function of momentum transfer
Valence QCD: Connecting QCD to the quark model
International Nuclear Information System (INIS)
Liu, K.F.; Dong, S.J.; Draper, T.; Sloan, J.; Leinweber, D.; Woloshyn, R.M.
1999-01-01
A valence QCD theory is developed to study the valence quark properties of hadrons. To keep only the valence degrees of freedom, the pair creation through the Z graphs is deleted in the connected insertions, whereas the sea quarks are eliminated in the disconnected insertions. This is achieved with a new 'valence QCD' Lagrangian where the action in the time direction is modified so that the particle and antiparticle decouple. It is shown in this valence version of QCD that the ratios of isovector to isoscalar matrix elements (e.g., F A /D A and F S /D S ratios) in the nucleon reproduce the SU(6) quark model predictions in a lattice QCD calculation. We also consider how the hadron masses are affected on the lattice and discover new insights into the origin of dynamical mass generation. It is found that, within statistical errors, the nucleon and the Δ become degenerate for the quark masses we have studied (ranging from 1 to 4 times the strange mass). The π and ρ become nearly degenerate in this range. It is shown that valence QCD has the C, P, T symmetries. The lattice version is reflection positive. It also has the vector and axial symmetries. The latter leads to a modified partially conserved axial Ward identity. As a result, the theory has a U(2N F ) symmetry in the particle-antiparticle space. Through lattice simulation, it appears that this is dynamically broken down to U q (N F )xU bar q (N F ). Furthermore, the lattice simulation reveals spin degeneracy in the hadron masses and various matrix elements. This leads to an approximate U q (2N F )xU bar q (2N F ) symmetry which is the basis for the valence quark model. In addition, we find that the masses of N, Δ,ρ,π,a 1 , and a 0 all drop precipitously compared to their counterparts in the quenched QCD calculation. This is interpreted as due to the disappearance of the 'constituent' quark mass which is dynamically generated through tadpole diagrams. The origin of the hyperfine splitting in the baryon is
Spin Dynamics and Magnetic Ordering in Mixed Valence Systems
DEFF Research Database (Denmark)
Shapiro, S. M.; Bjerrum Møller, Hans; Axe, J. D.
1978-01-01
. 0 meV at the transition to the alpha phase. The temperature independence of the susceptibility within the gamma phase cannot be simply reconciled with the temperature dependence of the valence within the gamma phase. TmSe is shown to order in a type I antiferromagnetic structure below T//N similar 3....... 2 K. The magnetic phase diagram is understood as a successive domain reorientation and a metamagnetic phase transition for T less than 3 K with increasing field. The mixed valence nature manifests itself in a reduced moment and a markedly altered crystal field. Another sample of TmSe with a lattice...
Premium Pricing of Liability Insurance Using Random Sum Model
Directory of Open Access Journals (Sweden)
Mujiati Dwi Kartikasari
2017-03-01
Full Text Available Premium pricing is one of important activities in insurance. Nonlife insurance premium is calculated from expected value of historical data claims. The historical data claims are collected so that it forms a sum of independent random number which is called random sum. In premium pricing using random sum, claim frequency distribution and claim severity distribution are combined. The combination of these distributions is called compound distribution. By using liability claim insurance data, we analyze premium pricing using random sum model based on compound distribution
QCD sum rules and applications to nuclear physics
International Nuclear Information System (INIS)
Cohen, T.D.; Xuemin, J.
1994-12-01
Applications of QCD sum-rule methods to the physics of nuclei are reviewed, with an emphasis on calculations of baryon self-energies in infinite nuclear matter. The sum-rule approach relates spectral properties of hadrons propagating in the finite-density medium, such as optical potentials for quasinucleons, to matrix elements of QCD composite operators (condensates). The vacuum formalism for QCD sum rules is generalized to finite density, and the strategy and implementation of the approach is discussed. Predictions for baryon self-energies are compared to those suggested by relativistic nuclear physics phenomenology. Sum rules for vector mesons in dense nuclear matter are also considered. (author)
Adler Function, DIS sum rules and Crewther Relations
International Nuclear Information System (INIS)
Baikov, P.A.; Chetyrkin, K.G.; Kuehn, J.H.
2010-01-01
The current status of the Adler function and two closely related Deep Inelastic Scattering (DIS) sum rules, namely, the Bjorken sum rule for polarized DIS and the Gross-Llewellyn Smith sum rule are briefly reviewed. A new result is presented: an analytical calculation of the coefficient function of the latter sum rule in a generic gauge theory in order O(α s 4 ). It is demonstrated that the corresponding Crewther relation allows to fix two of three colour structures in the O(α s 4 ) contribution to the singlet part of the Adler function.
An electrophysiological signature of summed similarity in visual working memory.
van Vugt, Marieke K; Sekuler, Robert; Wilson, Hugh R; Kahana, Michael J
2013-05-01
Summed-similarity models of short-term item recognition posit that participants base their judgments of an item's prior occurrence on that item's summed similarity to the ensemble of items on the remembered list. We examined the neural predictions of these models in 3 short-term recognition memory experiments using electrocorticographic/depth electrode recordings and scalp electroencephalography. On each experimental trial, participants judged whether a test face had been among a small set of recently studied faces. Consistent with summed-similarity theory, participants' tendency to endorse a test item increased as a function of its summed similarity to the items on the just-studied list. To characterize this behavioral effect of summed similarity, we successfully fit a summed-similarity model to individual participant data from each experiment. Using the parameters determined from fitting the summed-similarity model to the behavioral data, we examined the relation between summed similarity and brain activity. We found that 4-9 Hz theta activity in the medial temporal lobe and 2-4 Hz delta activity recorded from frontal and parietal cortices increased with summed similarity. These findings demonstrate direct neural correlates of the similarity computations that form the foundation of several major cognitive theories of human recognition memory. PsycINFO Database Record (c) 2013 APA, all rights reserved.
Model dependence of energy-weighted sum rules
International Nuclear Information System (INIS)
Kirson, M.W.
1977-01-01
The contribution of the nucleon-nucleon interaction to energy-weighted sum rules for electromagnetic multipole transitions is investigated. It is found that only isoscalar electric transitions might have model-independent energy-weighted sum rules. For these transitions, explicit momentum and angular momentum dependence of the nuclear force give rise to corrections to the sum rule which are found to be negligibly small, thus confirming the model independence of these specific sum rules. These conclusions are unaffected by correlation effects. (author)
Energy Technology Data Exchange (ETDEWEB)
Adcock, W.; Clark, C.I. [Flinders Univ. of South Australia, Bedford Park, SA (Australia); Brunger, M.J.; McCarthy, I.E. [Flinders Univ. of South Australia, Bedford Park, SA (Australia). School of Physical Sciences; Michalewicz, M.T. [CSIRO, Carlton, VIC (Australia). Division of Information Technology; Von Niessen, W. [Technische Univ., Braunschweig (Germany). Institute fur Physikalische and Theoretische Chemie; Weigold, E. [Australian National Univ., Canberra, ACT (Australia). Inst. of Advanced Studies; Winkler, D.A. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Clayton, VIC (Australia). Div. of Chemical Physics
1996-08-01
The first comprehensive electronic structural study of the complete valence shell of [1.1.1] propellane is reported. Binding energy spectra were measured in the energy regime 3.5-46.5 eV over a range of different target electron momentum so that individual orbital momentum profiles could also be determined. These binding energy spectra were collected using an energy dispersive multichannel electron momentum spectrometer at a total energy of 1000 eV, with a coincidence energy resolution of 1.38 eV and a momentum resolution of about 0.1 a.u. The experimental orbital electron momentum profiles are compared with those calculated in the plane wave impulse approximation (PWIA) using both a triple zeta plus polarisation level SCF wavefunction and a further 13 basis sets as calculated using Density Functional Theory (DFT). A critical comparison between the experimental an theoretical momentum distributions (MDs) allows to determine the optimum wavefunction for [1.1.1]propellane. In general, the level of agreement between the experimental and theoretical MDs for the optimum wavefunction for all of the respective valence orbitals was very good. The determination of this wavefunction then allowed to derive the chemically interesting molecular properties of [1.1.1]propellane. These include infrared spectra, bond lengths, bond orders, electron densities and many others. A summary of these results and a comparison of them with the previous results of other workers is presented with the level of agreement typically being good. In particular, the existence of the C1-C3 bridging bond with a bond order of 0.70 was confirmed. 59 refs., 4 tabs., 11 figs.
Mn valence state and electrode performance of perovskite-type ...
Indian Academy of Sciences (India)
increase in the oxidation state of Mn ions was due to the formation of Mn4+ ions and oxygen vacancies. The addition of Cu ions to LSM systems could lead to enhanced electrode performance for oxygen reduction reactions originating from the change in valence of Mn ions. Keywords. Cu-doped LSM; electrical conductivity; ...
Valence instabilities as a source of actinide system inconsistencies
International Nuclear Information System (INIS)
Sandenaw, T.A.
1979-01-01
Light actinide elements alone, and in some of their alloys, may exist as a static or dynamic mixture of two configurations. Such a state can explain both a resistivity maximum and lack of magnetic order observed in so many actinide materials, and still be compatible with the existence of f-electrons in narrow bands. Impurity elements may stabilize slightly different intermediate valence states in U, Np, and Pu, thus contributing to inconsistencies in published results. The physical property behavior of mixed-valence, rare-earth compounds is very much like that observed in development of antiphase (martensitic) structures. Martensitic transformations in U, Np, and Pu, from high-temperature b. c. c. to alpha phase, may be a way of ordering an alloy-like metal of mixed or intermediate valence. The relative stability of each phase structure may depend upon its electron-valence ratio. A Hubbard model for electron correlations in a narrow energy band has been invoked in most recent theories for explaining light actinide behavior. Such a model may also be applicable to crystal symmetry changes in martensitic transformations in actinides
Emotional Valence and Arousal Effects on Memory and Hemispheric Asymmetries
Mneimne, Malek; Powers, Alice S.; Walton, Kate E.; Kosson, David S.; Fonda, Samantha; Simonetti, Jessica
2010-01-01
This study examined predictions based upon the right hemisphere (RH) model, the valence-arousal model, and a recently proposed integrated model (Killgore & Yurgelun-Todd, 2007) of emotion processing by testing immediate recall and recognition memory for positive, negative, and neutral verbal stimuli among 35 right-handed women. Building upon…
Nuclear masses and the number of valence nucleons
International Nuclear Information System (INIS)
Mendoza-Temis, J.; Frank, A.; Hirsch, J.G.; Lopez Vieyra, J.C.; Morales, I.; Barea, J.; Van Isacker, P.; Velazquez, V.
2008-01-01
An improved version of the liquid drop model is presented. The addition of two terms, linear and quadratic in the total number of valence nucleons (particles or holes), improves the description of atomic masses, which can be fitted with an r.m.s. error of 1.2 MeV. Predictions are analysed an compared with those of established models
Optical verification of the valence band structure of cadmium arsenide
Gelten, M.J.; Es, van C.M.; Blom, F.A.P.; Jongeneelen, J.W.F.
1980-01-01
Optical absorption measurements were performed on thin single crystalline samples of Cd3As2 at temperatures of 300 K and 10 K. At low temperature the interband absorption coefficient shows clearly two steps due to direct transitions from the heavy hole and light hole valence bands to the conduction
Vection Modulates Emotional Valence of Autobiographical Episodic Memories
Seno, Takeharu; Kawabe, Takahiro; Ito, Hiroyuki; Sunaga, Shoji
2013-01-01
We examined whether illusory self-motion perception ("vection") induced by viewing upward and downward grating motion stimuli can alter the emotional valence of recollected autobiographical episodic memories. We found that participants recollected positive episodes more often while perceiving upward vection. However, when we tested a small moving…
Valence mixing in YbCuAl: a case study
International Nuclear Information System (INIS)
Mattens, W.
1980-01-01
Results are presented of a study of the valence state of Yb in the intermetallic compound YbCuAl. Both macroscopic physical properties (magnetic susceptibility, heat capacity, thermal expansion, electric resistivity) and microscopic physical properties (neutron inelastic scattering, nuclear magnetic resonance) are determined. The results are compared with a local Fermi liquid theory. (G.T.H.)
Effective valence as the control parameter of the superconducting ...
African Journals Online (AJOL)
One approach to investigating the superconductivity in the ironbased materials is understanding the chemical and structural parameters that can be used to tune their remarkably high Tc. In this paper, we have demonstrated that the effective valence of iron can be used as the control parameter to tune the Tc of this family of ...
Voice and Valency in San Luis Potosi Huasteco
Munoz Ledo Yanez, Veronica
2014-01-01
This thesis presents an analysis of the system of transitivity, voice and valency alternations in Huasteco of San Luis Potosi (Mayan) within a functional-typological framework. The study is based on spoken discourse and elicited data collected in the municipalities of Aquismon and Tancanhuitz de Santos in the state of San Luis Potosi, Mexico. The…
verbal extensions: valency decreasing extensions in the basà ...
African Journals Online (AJOL)
Finance
London: Hodder. Education. Imoh, P.M., 2013. Verbal extensions: Valency increasing operations in Basà verbal system. Paper presented at the West African Languages Congress (WALC) and 26th Annual. Conference of the Linguistic Association of Nigeria (26th CLAN), 29th July to 2nd August. 2013, University of Ibadan, ...
... the future bonding of the child and parent. Adoptive parents may be concerned about bonding with their ... general emotional support. And it's OK to ask family members and friends for help in the days — ...
Direct and reverse inclusions for strongly multiple summing operators
Indian Academy of Sciences (India)
and strongly multiple summing operators under the assumption that the range has finite cotype. Keywords. .... multiple (q, p)-summing, if there exists a constant C ≥ 0 such that for every choice of systems (x j i j )1≤i j ≤m j ...... Ideals and their Applications in Theoretical Physics (1983) (Leipzig: Teubner-Texte) pp. 185–199.
29 CFR 4044.75 - Other lump sum benefits.
2010-07-01
... sum benefits. The value of a lump sum benefit which is not covered under § 4044.73 or § 4044.74 is equal to— (a) The value under the qualifying bid, if an insurer provides the benefit; or (b) The present value of the benefit as of the date of distribution, determined using reasonable actuarial assumptions...
Lattice QCD evaluation of baryon magnetic moment sum rules
International Nuclear Information System (INIS)
Leinweber, D.B.
1991-05-01
Magnetic moment combinations and sum rules are evaluated using recent results for the magnetic moments of octet baryons determined in a numerical simulation of quenched QCD. The model-independent and parameter-free results of the lattice calculations remove some of the confusion and contradiction surrounding past magnetic moment sum rule analyses. The lattice results reveal the underlying quark dynamics investigated by magnetic moment sum rules and indicate the origin of magnetic moment quenching for the non-strange quarks in Σ. In contrast to previous sum rule analyses, the magnetic moments of nonstrange quarks in Ξ are seen to be enhanced in the lattice results. In most cases, the spin-dependent dynamics and center-of-mass effects giving rise to baryon dependence of the quark moments are seen to be sufficient to violate the sum rules in agreement with experimental measurements. In turn, the sum rules are used to further examine the results of the lattice simulation. The Sachs sum rule suggests that quark loop contributions not included in present lattice calculations may play a key role in removing the discrepancies between lattice and experimental ratios of magnetic moments. This is supported by other sum rules sensitive to quark loop contributions. A measure of the isospin symmetry breaking in the effective quark moments due to quark loop contributions is in agreement with model expectations. (Author) 16 refs., 2 figs., 2 tabs
Luttinger and Hubbard sum rules: are they compatible?
International Nuclear Information System (INIS)
Matho, K.
1992-01-01
A so-called Hubbard sum rule determines the weight of a satellite in fermionic single-particle excitations with strong local repulsion (U→∞). Together with the Luttinger sum rule, this imposes two different energy scales on the remaining finite excitations. In the Hubbard chain, this has been identified microscopically as being due to a separation of spin and charge. (orig.)
Chain hexagonal cacti with the extremal eccentric distance sum.
Qu, Hui; Yu, Guihai
2014-01-01
Eccentric distance sum (EDS), which can predict biological and physical properties, is a topological index based on the eccentricity of a graph. In this paper we characterize the chain hexagonal cactus with the minimal and the maximal eccentric distance sum among all chain hexagonal cacti of length n, respectively. Moreover, we present exact formulas for EDS of two types of hexagonal cacti.
A sum rule description of giant resonances at finite temperature
International Nuclear Information System (INIS)
Meyer, J.; Quentin, P.; Brack, M.
1983-01-01
A generalization of the sum rule approach to collective motion at finite temperature is presented. The m 1 and msub(-1) sum rules for the isovector dipole and the isoscalar monopole electric modes have been evaluated with the modified SkM force for the 208 Pb nucleus. The variation of the resulting giant resonance energies with temperature is discussed. (orig.)
Finding Sums for an Infinite Class of Alternating Series
Chen, Zhibo; Wei, Sheng; Xiao, Xuerong
2012-01-01
Calculus II students know that many alternating series are convergent by the Alternating Series Test. However, they know few alternating series (except geometric series and some trivial ones) for which they can find the sum. In this article, we present a method that enables the students to find sums for infinitely many alternating series in the…
Partial sums of arithmetical functions with absolutely convergent ...
Indian Academy of Sciences (India)
Keywords. Ramanujan expansions; average order; error terms; sum-of-divisors functions; Jordan's totient functions. 2010 Mathematics Subject Classification. 11N37, 11A25, 11K65. 1. Introduction. The theory of Ramanujan sums and Ramanujan expansions has emerged from the seminal article [10] of Ramanujan. In 1918 ...
28 CFR 523.16 - Lump sum awards.
2010-07-01
... satisfactory performance of an unusually hazardous assignment; (c) An act which protects the lives of staff or... TRANSFER COMPUTATION OF SENTENCE Extra Good Time § 523.16 Lump sum awards. Any staff member may recommend... award is calculated. No seniority is accrued for such awards. Staff may recommend lump sum awards of...
Analytic and algorithmic aspects of generalized harmonic sums and polylogarithms
International Nuclear Information System (INIS)
Ablinger, Jakob; Schneider, Carsten
2013-01-01
In recent three-loop calculations of massive Feynman integrals within Quantum Chromodynamics (QCD) and, e.g., in recent combinatorial problems the so-called generalized harmonic sums (in short S-sums) arise. They are characterized by rational (or real) numerator weights also different from ±1. In this article we explore the algorithmic and analytic properties of these sums systematically. We work out the Mellin and inverse Mellin transform which connects the sums under consideration with the associated Poincare iterated integrals, also called generalized harmonic polylogarithms. In this regard, we obtain explicit analytic continuations by means of asymptotic expansions of the S-sums which started to occur frequently in current QCD calculations. In addition, we derive algebraic and structural relations, like differentiation w.r.t. the external summation index and different multi-argument relations, for the compactification of S-sum expressions. Finally, we calculate algebraic relations for infinite S-sums, or equivalently for generalized harmonic polylogarithms evaluated at special values. The corresponding algorithms and relations are encoded in the computer algebra package HarmonicSums.
On contribution of instantons to nucleon sum rules
International Nuclear Information System (INIS)
Dorokhov, A.E.; Kochelev, N.I.
1989-01-01
The contribution of instantons to nucleon QCD sum rules is obtained. It is shown that this contribution does provide stabilization of the sum rules and leads to formation of a nucleon as a bound state of quarks in the instanton field. 17 refs.; 3 figs
Analytic and algorithmic aspects of generalized harmonic sums and polylogarithms
Energy Technology Data Exchange (ETDEWEB)
Ablinger, Jakob; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation; Bluemlein, Johannes [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)
2013-01-15
In recent three-loop calculations of massive Feynman integrals within Quantum Chromodynamics (QCD) and, e.g., in recent combinatorial problems the so-called generalized harmonic sums (in short S-sums) arise. They are characterized by rational (or real) numerator weights also different from {+-}1. In this article we explore the algorithmic and analytic properties of these sums systematically. We work out the Mellin and inverse Mellin transform which connects the sums under consideration with the associated Poincare iterated integrals, also called generalized harmonic polylogarithms. In this regard, we obtain explicit analytic continuations by means of asymptotic expansions of the S-sums which started to occur frequently in current QCD calculations. In addition, we derive algebraic and structural relations, like differentiation w.r.t. the external summation index and different multi-argument relations, for the compactification of S-sum expressions. Finally, we calculate algebraic relations for infinite S-sums, or equivalently for generalized harmonic polylogarithms evaluated at special values. The corresponding algorithms and relations are encoded in the computer algebra package HarmonicSums.
Sum formula for SL2 over imaginary quadratic number fields
Lokvenec-Guleska, H.
2004-01-01
The subject of this thesis is generalization of the classical sum formula of Bruggeman and Kuznetsov to the upper half-space H3. The derivation of the preliminary sum formula involves computation of the inner product of two specially chosen Poincar´e series in two different ways: the spectral
An electrophysiological signature of summed similarity in visual working memory
Van Vugt, Marieke K.; Sekuler, Robert; Wilson, Hugh R.; Kahana, Michael J.
Summed-similarity models of short-term item recognition posit that participants base their judgments of an item's prior occurrence on that item's summed similarity to the ensemble of items on the remembered list. We examined the neural predictions of these models in 3 short-term recognition memory
Faraday effect revisited: sum rules and convergence issues
DEFF Research Database (Denmark)
Cornean, Horia; Nenciu, Gheorghe
2010-01-01
This is the third paper of a series revisiting the Faraday effect. The question of the absolute convergence of the sums over the band indices entering the Verdet constant is considered. In general, sum rules and traces per unit volume play an important role in solid-state physics, and they give...
Efficient yellow beam generation by intracavity sum frequency ...
Indian Academy of Sciences (India)
2014-02-06
Feb 6, 2014 ... We present our studies on dual wavelength operation using a single Nd:YVO4 crystal and its intracavity sum frequency generation by considering the influence of the thermal lensing effect on the performance of the laser. A KTP crystal cut for type-II phase matching was used for intracavity sum frequency ...
Analytic and algorithmic aspects of generalized harmonic sums and polylogarithms
Energy Technology Data Exchange (ETDEWEB)
Ablinger, Jakob; Schneider, Carsten [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040, Linz (Austria); Blümlein, Johannes [Deutsches Elektronen–Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany)
2013-08-15
In recent three-loop calculations of massive Feynman integrals within Quantum Chromodynamics (QCD) and, e.g., in recent combinatorial problems the so-called generalized harmonic sums (in short S-sums) arise. They are characterized by rational (or real) numerator weights also different from ±1. In this article we explore the algorithmic and analytic properties of these sums systematically. We work out the Mellin and inverse Mellin transform which connects the sums under consideration with the associated Poincaré iterated integrals, also called generalized harmonic polylogarithms. In this regard, we obtain explicit analytic continuations by means of asymptotic expansions of the S-sums which started to occur frequently in current QCD calculations. In addition, we derive algebraic and structural relations, like differentiation with respect to the external summation index and different multi-argument relations, for the compactification of S-sum expressions. Finally, we calculate algebraic relations for infinite S-sums, or equivalently for generalized harmonic polylogarithms evaluated at special values. The corresponding algorithms and relations are encoded in the computer algebra package HarmonicSums.
Volume sums of polar Blaschke–Minkowski homomorphisms
Indian Academy of Sciences (India)
In this article, we establish Minkowski and Aleksandrov–Fenchel type inequalities for the volume sum of polars of Blaschke–Minkowski homomorphisms. Keywords. Blaschke–Minkowski homomorphism; volume differences; volume sum; projection body operator. 2010 Mathematics Subject Classification. 52A40, 52A30. 1.
Anil V. Mishra; Umaru B. Conteh
2014-01-01
This paper constructs the float adjusted measure of home bias and explores the determinants of bond home bias by employing the International Monetary Fund's high quality dataset (2001 to 2009) on cross-border bond investment. The paper finds that Australian investors' prefer investing in countries with higher economic development and more developed bond markets. Exchange rate volatility appears to be an impediment for cross-border bond investment. Investors prefer investing in countries with ...
Harmonic sums, polylogarithms, special numbers, and their generalizations
International Nuclear Information System (INIS)
Ablinger, Jakob
2013-04-01
In these introductory lectures we discuss classes of presently known nested sums, associated iterated integrals, and special constants which hierarchically appear in the evaluation of massless and massive Feynman diagrams at higher loops. These quantities are elements of stuffle and shuffle algebras implying algebraic relations being widely independent of the special quantities considered. They are supplemented by structural relations. The generalizations are given in terms of generalized harmonic sums, (generalized) cyclotomic sums, and sums containing in addition binomial and inverse-binomial weights. To all these quantities iterated integrals and special numbers are associated. We also discuss the analytic continuation of nested sums of different kind to complex values of the external summation bound N.
Evaluation of the multi-sums for large scale problems
International Nuclear Information System (INIS)
Bluemlein, J.; Hasselhuhn, A.; Schneider, C.
2012-02-01
A big class of Feynman integrals, in particular, the coefficients of their Laurent series expansion w.r.t. the dimension parameter ε can be transformed to multi-sums over hypergeometric terms and harmonic sums. In this article, we present a general summation method based on difference fields that simplifies these multi--sums by transforming them from inside to outside to representations in terms of indefinite nested sums and products. In particular, we present techniques that assist in the task to simplify huge expressions of such multi-sums in a completely automatic fashion. The ideas are illustrated on new calculations coming from 3-loop topologies of gluonic massive operator matrix elements containing two fermion lines, which contribute to the transition matrix elements in the variable flavor scheme. (orig.)
Harmonic sums, polylogarithms, special numbers, and their generalizations
Energy Technology Data Exchange (ETDEWEB)
Ablinger, Jakob [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation; Bluemlein, Johannes [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)
2013-04-15
In these introductory lectures we discuss classes of presently known nested sums, associated iterated integrals, and special constants which hierarchically appear in the evaluation of massless and massive Feynman diagrams at higher loops. These quantities are elements of stuffle and shuffle algebras implying algebraic relations being widely independent of the special quantities considered. They are supplemented by structural relations. The generalizations are given in terms of generalized harmonic sums, (generalized) cyclotomic sums, and sums containing in addition binomial and inverse-binomial weights. To all these quantities iterated integrals and special numbers are associated. We also discuss the analytic continuation of nested sums of different kind to complex values of the external summation bound N.
Evaluation of the multi-sums for large scale problems
Energy Technology Data Exchange (ETDEWEB)
Bluemlein, J.; Hasselhuhn, A. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Schneider, C. [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation
2012-02-15
A big class of Feynman integrals, in particular, the coefficients of their Laurent series expansion w.r.t. the dimension parameter {epsilon} can be transformed to multi-sums over hypergeometric terms and harmonic sums. In this article, we present a general summation method based on difference fields that simplifies these multi--sums by transforming them from inside to outside to representations in terms of indefinite nested sums and products. In particular, we present techniques that assist in the task to simplify huge expressions of such multi-sums in a completely automatic fashion. The ideas are illustrated on new calculations coming from 3-loop topologies of gluonic massive operator matrix elements containing two fermion lines, which contribute to the transition matrix elements in the variable flavor scheme. (orig.)
The Origin of the Non-Additivity in Resonance-Assisted Hydrogen Bond Systems.
Lin, Xuhui; Zhang, Huaiyu; Jiang, Xiaoyu; Wu, Wei; Mo, Yirong
2017-11-09
The concept of resonance-assisted hydrogen bond (RAHB) has been widely accepted, and its impact on structures and energetics can be best studied computationally using the block-localized wave function (BLW) method, which is a variant of ab initio valence bond (VB) theory and able to derive strictly electron-localized structures self-consistently. In this work, we use the BLW method to examine a few molecules that result from the merging of two malonaldehyde molecules. As each of these molecules contains two hydrogen bonds, these intramolecular hydrogen bonds may be cooperative or anticooperative, depended on their relative orientations, and compared with the hydrogen bond in malonaldehyde. Apart from quantitatively confirming the concept of RAHB, the comparison of the computations with and without π resonance shows that both σ-framework and π-resonance contribute to the nonadditivity in these RAHB systems with multiple hydrogen bonds.
Lim, Kim-Hui,; Har, Wai-Mun
2008-01-01
The lack of academic and thinking culture is getting more worried and becomes a major challenge to our academia society this 21st century. Few directions that move academia from "cogito ergo sum" to "consumo ergo sum" are actually leading us to "the end of academia". Those directions are: (1) the death of dialectic;…
Valence electron structure and properties of stabilized ZrO2
Institute of Scientific and Technical Information of China (English)
LI JinPing; HAN JieOai; MENG SongHe; ZHANG XingHong
2008-01-01
To reveal the properties of stabilizers in ZrO2 on nanoscopic levels,the valence elec-tron structures of four stable ZrO2 phases and c-ZrO2 were analyzed on the basis of the empirical electron theory of solids and molecules.The results showed that the hybridization levels of Zr atoms in c-ZrO2 doped with Ca and Mg dropped from B17 to B13,the hybridization levels of Zr atoms in c-ZrO2 doped with Y and Ce dropped from B17 to B15,and that the four stabilizing atoms all made the hybridization levels of O atoms drop from level 4 to level 2.The numbers of covalent electrons in the strongest covalent bond in the descending order are c-ZrO2>ZrCeO2>ZrYOZrMgO>ZrCaO.The bond energies of the strongest covalent bond and the melting points of the solid solutions in the descending order are ZrCeO2>c-ZrO2>ZrYO>ZrMgO>ZrCaO.The percent-ages of the total number of covalent electrons in the descending order arec-ZrO2>ZrYO> ZrCeO2>ZrMgO> ZrCaO.From the above analysis,it can be concluded that the stabilizing degrees of the four stabilizers in the descending order are CaO> MgO>Y2O3>CeO2.
Valence and inner proton hole states in 207Tl via the (d,3He) reaction at 108 MeV
International Nuclear Information System (INIS)
Langevin-Joliot, H.; Gerlic, E.; Guillot, J.; Van de Wiele, J.
1983-01-01
The excitation energy spectra of the residual nucleus 207 Tl have been investigated up to 14 MeV using the (d, 3 He) reaction at 108 MeV. New groups and high lying structures are first observed up to 8.3 MeV, in addition to the five known low lying levels. Beyond a minimum at 7.13 MeV, weaker structures are observed riding over an asymetric bump located around 9 MeV. DWBA analysis of angular distributions have allowed l attributions and the determination of valence and inner hole spectroscopic factors. It is found that the valence levels at 1.33 MeV, 1.67 MeV and 3.47 MeV exhaust respectively about 65%, 60% and 45% of the 1hsub(11/2), 2dsub(5/2) and 1gsub(7/2) sum rules. The missing strengths are found below 8.3 MeV. The 2dsub(5/2) and 1gsub(7/2) holes contribute mainly to some well concentrated groups, whereas the 1hsub(11/2) strength is distributed more smoothly. Small contributions of 1gsub(9/2) and 2p strengths are tentatively identified below 7.13 MeV. The highest lying energy region up to 14 MeV may approximately account for the 1gsub(9/2) and (1fsub(5/2)) total sum-rule and about 70% of the 2p strength. The 1gsub(9/2) strength gives the largest contribution to the asymetric bump around 9 MeV. The deduced experimental strength functions are compared with theoretical calculations
Effective interactions for valence-hole nuclei with modern meson-exchange potential models
International Nuclear Information System (INIS)
Hjort-Jensen, M.; Osnes, E.; Kuo, E.
1991-10-01
Within the framework of the folded-diagram theory, the authors have studied the effective interaction appropriate for hole-hole nuclei in the mass regions of 16 O and 40 Ca, using the Bonn and Paris potential models. To sum up the folded diagrams the renormalization procedure of Lee and Suzuki has been employed, using a so-called Q-box in which were included all one-body and two-body irreducible valence-linked diagrams through third order in perturbation theory. Discrepancies for the mass dependence of the effective interaction for several JT configurations with respect to empirically deduced mass dependencies is reported. The role of core polarization processes through third order were found to be one of the mechanisms behind these discrepancies. Compared to the results obtained with the Paris potential, more attraction is introduced by the Bonn potential for all matrix elements of concerns, a result which agrees well with previous findings for the particle-particle interaction in the same mass regions. A qualitative agreements with experimental data is obtained. 31 refs., 6 figs., 8 tabs
Citron, Francesca Maria Marina; Abugaber, David; Herbert, Cornelia
2016-01-01
The affective dimensions of emotional valence and emotional arousal affect processing of verbal and pictorial stimuli. Traditional emotional theories assume a linear relationship between these dimensions, with valence determining the direction of a behaviour (approach vs. withdrawal) and arousal its intensity or strength. In contrast, according to the valence-arousal conflict theory, both dimensions are interactively related: positive valence and low arousal (PL) are associated with an implic...
Zero-sum bias: perceived competition despite unlimited resources
Directory of Open Access Journals (Sweden)
Daniel V Meegan
2010-11-01
Full Text Available Zero-sum bias describes intuitively judging a situation to be zero-sum (i.e., resources gained by one party are matched by corresponding losses to another party when it is actually non-zero-sum. The experimental participants were students at a university where students’ grades are determined by how the quality of their work compares to a predetermined standard of quality rather than to the quality of the work produced by other students. This creates a non-zero-sum situation in which high grades are an unlimited resource. In three experiments, participants were shown the grade distribution after a majority of the students in a course had completed an assigned presentation, and asked to predict the grade of the next presenter. When many high grades had already been given, there was a corresponding increase in low grade predictions. This suggests a zero-sum bias, in which people perceive a competition for a limited resource despite unlimited resource availability. Interestingly, when many low grades had already been given, there was not a corresponding increase in high grade predictions. This suggests that a zero-sum heuristic is only applied in response to the allocation of desirable resources. A plausible explanation for the findings is that a zero-sum heuristic evolved as a cognitive adaptation to enable successful intra-group competition for limited resources. Implications for understanding inter-group interaction are also discussed.
Zero-sum bias: perceived competition despite unlimited resources.
Meegan, Daniel V
2010-01-01
Zero-sum bias describes intuitively judging a situation to be zero-sum (i.e., resources gained by one party are matched by corresponding losses to another party) when it is actually non-zero-sum. The experimental participants were students at a university where students' grades are determined by how the quality of their work compares to a predetermined standard of quality rather than to the quality of the work produced by other students. This creates a non-zero-sum situation in which high grades are an unlimited resource. In three experiments, participants were shown the grade distribution after a majority of the students in a course had completed an assigned presentation, and asked to predict the grade of the next presenter. When many high grades had already been given, there was a corresponding increase in low grade predictions. This suggests a zero-sum bias, in which people perceive a competition for a limited resource despite unlimited resource availability. Interestingly, when many low grades had already been given, there was not a corresponding increase in high grade predictions. This suggests that a zero-sum heuristic is only applied in response to the allocation of desirable resources. A plausible explanation for the findings is that a zero-sum heuristic evolved as a cognitive adaptation to enable successful intra-group competition for limited resources. Implications for understanding inter-group interaction are also discussed.
Harmonic sums and polylogarithms generated by cyclotomic polynomials
Energy Technology Data Exchange (ETDEWEB)
Ablinger, Jakob; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation; Bluemlein, Johannes [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)
2011-05-15
The computation of Feynman integrals in massive higher order perturbative calculations in renormalizable Quantum Field Theories requires extensions of multiply nested harmonic sums, which can be generated as real representations by Mellin transforms of Poincare-iterated integrals including denominators of higher cyclotomic polynomials. We derive the cyclotomic harmonic polylogarithms and harmonic sums and study their algebraic and structural relations. The analytic continuation of cyclotomic harmonic sums to complex values of N is performed using analytic representations. We also consider special values of the cyclotomic harmonic polylogarithms at argument x=1, resp., for the cyclotomic harmonic sums at N{yields}{infinity}, which are related to colored multiple zeta values, deriving various of their relations, based on the stuffle and shuffle algebras and three multiple argument relations. We also consider infinite generalized nested harmonic sums at roots of unity which are related to the infinite cyclotomic harmonic sums. Basis representations are derived for weight w=1,2 sums up to cyclotomy l=20. (orig.)
Measurement sum theory and application - Application to low level measurements
International Nuclear Information System (INIS)
Puydarrieux, S.; Bruel, V.; Rivier, C.; Crozet, M.; Vivier, A.; Manificat, G.; Thaurel, B.; Mokili, M.; Philippot, B.; Bohaud, E.
2015-09-01
In laboratories, most of the Total Sum methods implemented today use substitution or censure methods for nonsignificant or negative values, and thus create biases which can sometimes be quite large. They are usually positive, and generate, for example, becquerel (Bq) counting or 'administrative' quantities of materials (= 'virtual'), thus artificially falsifying the records kept by the laboratories under regulatory requirements (environment release records, waste records, etc.). This document suggests a methodology which will enable the user to avoid such biases. It is based on the following two fundamental rules: - The Total Sum of measurement values must be established based on all the individual measurement values, even those considered non-significant including the negative values. Any modification of these values, under the pretext that they are not significant, will inevitably lead to biases in the accumulated result and falsify the evaluation of its uncertainty. - In Total Sum operations, the decision thresholds are arrived at in a similar way to the approach used for uncertainties. The document deals with four essential aspects of the notion of 'measurement Total Sums': - The expression of results and associated uncertainties close to Decision Thresholds, and Detection or Quantification Limits, - The Total Sum of these measurements: sum or mean, - The calculation of the uncertainties associated with the Total Sums, - Result presentation (particularly when preparing balance sheets or reports, etc.) Several case studies arising from different situations are used to illustrate the methodology: environmental monitoring reports, release reports, and chemical impurity Total Sums for the qualification of a finished product. The special case of material balances, in which the measurements are usually all significant and correlated (the covariance term cannot then be ignored) will be the subject of a future second document. This
Developmental Reversals in False Memory: Effects of Emotional Valence and Arousal
Brainerd, C. J.; Holliday, R. E.; Reyna, V. F.; Yang, Y.; Toglia, M. P.
2010-01-01
Do the emotional valence and arousal of events distort children's memories? Do valence and arousal modulate counterintuitive age increases in false memory? We investigated those questions in children, adolescents, and adults using the Cornell/Cortland Emotion Lists, a word list pool that induces false memories and in which valence and arousal can…
Schepman, Astrid; Rodway, Paul; Geddes, Pauline
2012-01-01
Valence-specific laterality effects have been frequently obtained in facial emotion perception but not in vocal emotion perception. We report a dichotic listening study further examining whether valence-specific laterality effects generalise to vocal emotions. Based on previous literature, we tested whether valence-specific laterality effects were…
Work Valence as a Predictor of Academic Achievement in the Family Context
Porfeli, Erik; Ferrari, Lea; Nota, Laura
2013-01-01
This study asserts a theoretical model of academic and work socialization within the family setting. The presumed associations between parents' work valences, children's work valences and valence perceptions, and children's academic interest and achievement are tested. The results suggest that children's perceptions of parents mediate the…
Light cone sum rules for single-pion electroproduction
International Nuclear Information System (INIS)
Mallik, S.
1978-01-01
Light cone dispersion sum rules (of low energy and superconvergence types) are derived for nucleon matrix elements of the commutator involving electromagnetic and divergence of axial vector currents. The superconvergence type sum rules in the fixed mass limit are rewritten without requiring the knowledge of Regge subtractions. The retarded scaling functions occurring in these sum rules are evaluated within the framework of quark light cone algebra of currents. Besides a general consistency check of the framework underlying the derivation, the author infers, on the basis of crude evaluation of scaling functions, an upper limit of 100 MeV for the bare mass of nonstrange quarks. (Auth.)
Parity of Θ+(1540) from QCD sum rules
International Nuclear Information System (INIS)
Lee, Su Houng; Kim, Hungchong; Kwon, Youngshin
2005-01-01
The QCD sum rule for the pentaquark Θ + , first analyzed by Sugiyama, Doi and Oka, is reanalyzed with a phenomenological side that explicitly includes the contribution from the two-particle reducible kaon-nucleon intermediate state. The magnitude for the overlap of the Θ + interpolating current with the kaon-nucleon state is obtained by using soft-kaon theorem and a separate sum rule for the ground state nucleon with the pentaquark nucleon interpolating current. It is found that the K-N intermediate state constitutes only 10% of the sum rule so that the original claim that the parity of Θ + is negative remains valid
The Eccentric-distance Sum of Some Graphs
P, Padmapriya; Mathad, Veena
2017-01-01
Let $G = (V,E)$ be a simple connected graph. Theeccentric-distance sum of $G$ is defined as$\\xi^{ds}(G) =\\ds\\sum_{\\{u,v\\}\\subseteq V(G)} [e(u)+e(v)] d(u,v)$, where $e(u)$ %\\dsis the eccentricity of the vertex $u$ in $G$ and $d(u,v)$ is thedistance between $u$ and $v$. In this paper, we establish formulaeto calculate the eccentric-distance sum for some graphs, namelywheel, star, broom, lollipop, double star, friendship, multi-stargraph and the join of $P_{n-2}$ and $P_2$.
The eccentric-distance sum of some graphs
Directory of Open Access Journals (Sweden)
Padmapriya P
2017-04-01
Full Text Available Let $G = (V,E$ be a simple connected graph. Theeccentric-distance sum of $G$ is defined as$\\xi^{ds}(G =\\ds\\sum_{\\{u,v\\}\\subseteq V(G} [e(u+e(v] d(u,v$, where $e(u$ %\\dsis the eccentricity of the vertex $u$ in $G$ and $d(u,v$ is thedistance between $u$ and $v$. In this paper, we establish formulaeto calculate the eccentric-distance sum for some graphs, namelywheel, star, broom, lollipop, double star, friendship, multi-stargraph and the join of $P_{n-2}$ and $P_2$.
Neutrino mass sum rules and symmetries of the mass matrix
Energy Technology Data Exchange (ETDEWEB)
Gehrlein, Julia [Karlsruhe Institute of Technology, Institut fuer Theoretische Teilchenphysik, Karlsruhe (Germany); Universidad Autonoma de Madrid, Departamento de Fisica Teorica, Madrid (Spain); Instituto de Fisica Teorica UAM/CSIC, Madrid (Spain); Spinrath, Martin [Karlsruhe Institute of Technology, Institut fuer Theoretische Teilchenphysik, Karlsruhe (Germany); National Center for Theoretical Sciences, Physics Division, Hsinchu (China)
2017-05-15
Neutrino mass sum rules have recently gained again more attention as a powerful tool to discriminate and test various flavour models in the near future. A related question which has not yet been discussed fully satisfactorily was the origin of these sum rules and if they are related to any residual or accidental symmetry. We will address this open issue here systematically and find previous statements confirmed. Namely, the sum rules are not related to any enhanced symmetry of the Lagrangian after family symmetry breaking but they are simply the result of a reduction of free parameters due to skillful model building. (orig.)
Moessbauer sum rules for use with synchrotron sources
International Nuclear Information System (INIS)
Lipkin, Harry J.
1999-01-01
The availability of tunable synchrotron radiation sources with millivolt resolution has opened new prospects for exploring dynamics of complex systems with Moessbauer spectroscopy. Early Moessbauer treatments and moment sum rules are extended to treat inelastic excitations measured in synchrotron experiments, with emphasis on the unique new conditions absent in neutron scattering and arising in resonance scattering: prompt absorption, delayed emission, recoil-free transitions and coherent forward scattering. The first moment sum rule normalizes the inelastic spectrum. New sum rules obtained for higher moments include the third moment proportional to the second derivative of the potential acting on the Moessbauer nucleus and independent of temperature in the the harmonic approximation
Derivation of sum rules for quark and baryon fields
International Nuclear Information System (INIS)
Bongardt, K.
1978-01-01
In an analogous way to the Weinberg sum rules, two spectral-function sum rules for quark and baryon fields are derived by means of the concept of lightlike charges. The baryon sum rules are valid for the case of SU 3 as well as for SU 4 and the one-particle approximation yields a linear mass relation. This relation is not in disagreement with the normal linear GMO formula for the baryons. The calculated masses of the first resonance states agree very well with the experimental data
Adler-Weisberger sum rule for WLWL→WLWL scattering
International Nuclear Information System (INIS)
Pham, T.N.
1991-01-01
We analyse the Adler-Weisberger sum rule for W L W L →W L W L scattering. We find that at some energy, the W L W L total cross section must be large to saturate the sum rule. Measurements at future colliders would be needed to check the sum rule and to obtain the decay rates Γ(H→W L W L , Z L Z L ) which would be modified by the existence of a P-wave vector meson resonance in the standard model with strongly interacting Higgs sector or in technicolour models. (orig.)
A toolbox for Harmonic Sums and their analytic continuations
Energy Technology Data Exchange (ETDEWEB)
Ablinger, Jakob; Schneider, Carsten [RISC, J. Kepler University, Linz (Austria); Bluemlein, Johannes [DESY, Zeuthen (Germany)
2010-07-01
The package HarmonicSums implemented in the computer algebra system Mathematica is presented. It supports higher loop calculations in QCD and QED to represent single-scale quantities like anomalous dimensions and Wilson coefficients. The package allows to reduce general harmonic sums due to their algebraic and different structural relations. We provide a general framework for these reductions and the explicit representations up to weight w=8. For the use in experimental analyzes we also provide an analytic formalism to continue the harmonic sums form their integer arguments into the complex plane, which includes their recursions and asymptotic representations. The main ideas are illustrated by specific examples.
Theoretical calculations of valence states in Fe-Mo compounds
International Nuclear Information System (INIS)
Estrada, F; Navarro, O; Noverola, H; Suárez, J R; Avignon, M
2014-01-01
The half-metallic ferromagnetic double perovskite compound Sr 2 FeMoO 6 is considered as an important material for spintronic applications. It appears to be fundamental to understand the role of electronic parameters controlling the half-metallic ground state. Fe-Mo double perovskites usually present some degree of Fe/Mo disorder which generally increases with doping. In this work, we study the valence states of Fe-Mo cations in the off-stoichiometric system Sr 2 Fe 1+x Mo 1−x O 6 (−1 ≤ x ≤ 1/3) with disorder. Our results for Fe and Mo valence states are obtained using the Green functions and the renormalization perturbation expansion method. The model is based on a correlated electron picture with localized Fe-spins and conduction Mo-electrons interacting with the local spins via a double-exchange-type mechanism
Theory of Valence Transitions in Ytterbium and Europium Intermetallics
International Nuclear Information System (INIS)
Zlatic, V.; Freericks, J.K.
2001-01-01
The exact solution of the multi-component Falicov-Kimball model in infinite-dimensions is presented and used to discuss a new fixed point of valence fluctuating intermetallics with Yb and Eu ions. In these compounds, temperature, external magnetic field, pressure, or chemical pressure induce a transition between a metallic state with the f-ions in a mixed-valent (non-magnetic) configuration and a semi-metallic state with the f-ions in an integral-valence (paramagnetic) configuration. The zero-field transition occurs at the temperature T V , while the zero-temperature transition sets in at the critical field H c . We present the thermodynamic and dynamic properties of the model for an arbitrary concentration of d- and f -electrons. For large U, we find a MI transition, triggered by the temperature or field- induced change in the f-occupancy. (author)
Valence control of cobalt oxide thin films by annealing atmosphere
International Nuclear Information System (INIS)
Wang Shijing; Zhang Boping; Zhao Cuihua; Li Songjie; Zhang Meixia; Yan Liping
2011-01-01
The cobalt oxide (CoO and Co 3 O 4 ) thin films were successfully prepared using a spin-coating technique by a chemical solution method with CH 3 OCH 2 CH 2 OH and Co(NO 3 ) 2 .6H 2 O as starting materials. The grayish cobalt oxide films had uniform crystalline grains with less than 50 nm in diameter. The phase structure is able to tailor by controlling the annealing atmosphere and temperature, in which Co 3 O 4 thin film was obtained by annealing in air at 300-600, and N 2 at 300, and transferred to CoO thin film by raising annealing temperature in N 2 . The fitted X-ray photoelectron spectroscopy (XPS) spectra of the Co2p electrons are distinguishable from different valence states of cobalt oxide especially for their satellite structure. The valence control of cobalt oxide thin films by annealing atmosphere contributes to the tailored optical absorption property.
Spin dynamics and magnetic ordering in mixed valence systems
International Nuclear Information System (INIS)
Shapiro, S.M.; Moller, H.B.; Axe, J.D.; Birgeneau, R.J.; Bucher, E.
1977-01-01
Neutron scattering measurements are reported on the mixed valence compounds Ce/sub 1-x/Th/sub x/ and TmSe. The Chi''(Q,ω) as derived from the inelastic spectra of Ce 0 . 74 Th 0 . 26 shows a peak in the γ phase near 20.0 meV and shifts abruptly to greater than 70.0 meV at the transition to the α phase. The temperature independence of the susceptibility within the γ phase cannot be simply reconciled with the temperature dependence of the valence within the γ phase. TmSe is shown to order in a type I antiferromagnetic structure below T/sub N/ approx. 3.2 K. The magnetic phase diagram is understood as a successive domain reorientation and a metamagnetic phase transition for T 3+ orders in a type II structure but never achieves long range order
The olfactory tubercle encodes odor valence in behaving mice.
Gadziola, Marie A; Tylicki, Kate A; Christian, Diana L; Wesson, Daniel W
2015-03-18
Sensory information acquires meaning to adaptively guide behaviors. Despite odors mediating a number of vital behaviors, the components of the olfactory system responsible for assigning meaning to odors remain unclear. The olfactory tubercle (OT), a ventral striatum structure that receives monosynaptic input from the olfactory bulb, is uniquely positioned to transform odor information into behaviorally relevant neural codes. No information is available, however, on the coding of odors among OT neurons in behaving animals. In recordings from mice engaged in an odor discrimination task, we report that the firing rate of OT neurons robustly and flexibly encodes the valence of conditioned odors over identity, with rewarded odors evoking greater firing rates. This coding of rewarded odors occurs before behavioral decisions and represents subsequent behavioral responses. We predict that the OT is an essential region whereby odor valence is encoded in the mammalian brain to guide goal-directed behaviors. Copyright © 2015 the authors 0270-6474/15/354515-13$15.00/0.
Effects of valence and divided attention on cognitive reappraisal processes
Morris, John A.; Leclerc, Christina M.; Kensinger, Elizabeth A.
2014-01-01
Numerous studies have investigated the neural substrates supporting cognitive reappraisal, identifying the importance of cognitive control processes implemented by prefrontal cortex (PFC). This study examined how valence and attention affect the processes used for cognitive reappraisal by asking participants to passively view or to cognitively reappraise positive and negative images with full or divided attention. When participants simply viewed these images, results revealed few effects of v...
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
Continuum-limit scaling of overlap fermions as valence quarks
International Nuclear Information System (INIS)
Cichy, Krzysztof; Herdoiza, Gregorio; Jansen, Karl
2009-10-01
We present the results of a mixed action approach, employing dynamical twisted mass fermions in the sea sector and overlap valence fermions, with the aim of testing the continuum limit scaling behaviour of physical quantities, taking the pion decay constant as an example. To render the computations practical, we impose for this purpose a fixed finite volume with lattice size L∼1.3 fm. We also briefly review the techniques we have used to deal with overlap fermions. (orig.)
Few-valence-particle excitations around doubly magic 132Sn
International Nuclear Information System (INIS)
Daly, P.J.; Zhang, C.T.; Bhattacharyya, P.
1996-01-01
Prompt γ-ray cascades in neutron-rich nuclei around doubly-magic 132 Sn have been studied using a 248 Cm fission source. Yrast states located in the N = 82 isotones 134 Te and 135 I are interpreted as valence proton and neutron particle-hole core excitations with the help of shell model calculations employing empirical nucleon-nucleon interactions from both 132 Sn and 208 Pb regions
Magnetic re-entrance in intermediate valence compounds
International Nuclear Information System (INIS)
Allub, R.; Machiavelli, O.; Balseiro, C.; Alascio, B.
1980-01-01
The possibility is explored of magnetic re-entrance in intermediate valence compounds. Using a simplified Anderson-Lattice model the pressure-temperature magnetic phase diagram is obtained. This diagram shows that for some value of the microscopic parameters the temperature induced two transitions (non-magnetic to magnetically ordered to paramagnetic). The magnetization and the average occupation number of the localized state are calculated. Estimations of the observability of the effect in systems like CeAl 2 are made. (author)
Feedback Valence Affects Auditory Perceptual Learning Independently of Feedback Probability
Amitay, Sygal; Moore, David R.; Molloy, Katharine; Halliday, Lorna F.
2015-01-01
Previous studies have suggested that negative feedback is more effective in driving learning than positive feedback. We investigated the effect on learning of providing varying amounts of negative and positive feedback while listeners attempted to discriminate between three identical tones; an impossible task that nevertheless produces robust learning. Four feedback conditions were compared during training: 90% positive feedback or 10% negative feedback informed the participants that they were doing equally well, while 10% positive or 90% negative feedback informed them they were doing equally badly. In all conditions the feedback was random in relation to the listeners’ responses (because the task was to discriminate three identical tones), yet both the valence (negative vs. positive) and the probability of feedback (10% vs. 90%) affected learning. Feedback that informed listeners they were doing badly resulted in better post-training performance than feedback that informed them they were doing well, independent of valence. In addition, positive feedback during training resulted in better post-training performance than negative feedback, but only positive feedback indicating listeners were doing badly on the task resulted in learning. As we have previously speculated, feedback that better reflected the difficulty of the task was more effective in driving learning than feedback that suggested performance was better than it should have been given perceived task difficulty. But contrary to expectations, positive feedback was more effective than negative feedback in driving learning. Feedback thus had two separable effects on learning: feedback valence affected motivation on a subjectively difficult task, and learning occurred only when feedback probability reflected the subjective difficulty. To optimize learning, training programs need to take into consideration both feedback valence and probability. PMID:25946173
Kim, M Justin; Mattek, Alison M; Bennett, Randi H; Solomon, Kimberly M; Shin, Jin; Whalen, Paul J
2017-09-27
Human amygdala function has been traditionally associated with processing the affective valence (negative vs positive) of an emotionally charged event, especially those that signal fear or threat. However, this account of human amygdala function can be explained by alternative views, which posit that the amygdala might be tuned to either (1) general emotional arousal (activation vs deactivation) or (2) specific emotion categories (fear vs happy). Delineating the pure effects of valence independent of arousal or emotion category is a challenging task, given that these variables naturally covary under many circumstances. To circumvent this issue and test the sensitivity of the human amygdala to valence values specifically, we measured the dimension of valence within the single facial expression category of surprise. Given the inherent valence ambiguity of this category, we show that surprised expression exemplars are attributed valence and arousal values that are uniquely and naturally uncorrelated. We then present fMRI data from both sexes, showing that the amygdala tracks these consensus valence values. Finally, we provide evidence that these valence values are linked to specific visual features of the mouth region, isolating the signal by which the amygdala detects this valence information. SIGNIFICANCE STATEMENT There is an open question as to whether human amygdala function tracks the valence value of cues in the environment, as opposed to either a more general emotional arousal value or a more specific emotion category distinction. Here, we demonstrate the utility of surprised facial expressions because exemplars within this emotion category take on valence values spanning the dimension of bipolar valence (positive to negative) at a consistent level of emotional arousal. Functional neuroimaging data showed that amygdala responses tracked the valence of surprised facial expressions, unconfounded by arousal. Furthermore, a machine learning classifier identified
A Direct Proof of the Resonance-Impaired Hydrogen Bond (RIHB) Concept.
Lin, Xuhui; Wu, Wei; Mo, Yirong
2018-01-24
The concept of resonance-enhanced hydrogen bond (RAHB) has been widely accepted and applied as it highlights the positive impact of π-conjugation on intramolecular H-bonds. However, electron delocalization is directional and there is a possibility that π-resonance goes from the H-bond acceptor to the H-bond donor, leading to a negative impact on H-bonds. Here we used the block-localized wavefunction (BLW) method which is a variant of ab initio valence bond (VB) theory and able to derive strictly electron-localized structures self-consistently, to quantify the interplay between H-bond and π-resonance in the terms of geometry, energetics and spectral properties. The comparison of geometrical optimizations with and without π-resonance shows that conjugation can indeed either enhance or weaken intramolecular H-bonds. We further experimented with various substituents attached to either the H-bond acceptor and/or H-bond donor side(s) to tune the H-bonding strength in both directions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Optoelectronic properties of valence-state-controlled amorphous niobium oxide
Onozato, Takaki; Katase, Takayoshi; Yamamoto, Akira; Katayama, Shota; Matsushima, Koichi; Itagaki, Naho; Yoshida, Hisao; Ohta, Hiromichi
2016-06-01
In order to understand the optoelectronic properties of amorphous niobium oxide (a-NbO x ), we have investigated the valence states, local structures, electrical resistivity, and optical absorption of a-NbO x thin films with various oxygen contents. It was found that the valence states of Nb ion in a-NbO x films can be controlled from 5+ to 4+ by reducing oxygen pressure during film deposition at room temperature, together with changing the oxide-ion arrangement around Nb ion from Nb2O5-like to NbO2-like local structure. As a result, a four orders of magnitude reduction in the electrical resistivity of a-NbO x films was observed with decreasing oxygen content, due to the carrier generation caused by the appearance and increase of an oxygen-vacancy-related subgap state working as an electron donor. The tunable optoelectronic properties of a-NbO x films by valence-state-control with oxygen-vacancy formation will be useful for potential flexible optoelectronic device applications.
Basic features of the pion valence-quark distribution function
Energy Technology Data Exchange (ETDEWEB)
Chang, Lei [CSSM, School of Chemistry and Physics, University of Adelaide, Adelaide, SA 5005 (Australia); Mezrag, Cédric; Moutarde, Hervé [Centre de Saclay, IRFU/Service de Physique Nucléaire, F-91191 Gif-sur-Yvette (France); Roberts, Craig D. [Physics Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Rodríguez-Quintero, Jose [Departamento de Física Aplicada, Facultad de Ciencias Experimentales, Universidad de Huelva, Huelva E-21071 (Spain); Tandy, Peter C. [Center for Nuclear Research, Department of Physics, Kent State University, Kent, OH 44242 (United States)
2014-10-07
The impulse-approximation expression used hitherto to define the pion's valence-quark distribution function is flawed because it omits contributions from the gluons which bind quarks into the pion. A corrected leading-order expression produces the model-independent result that quarks dressed via the rainbow–ladder truncation, or any practical analogue, carry all the pion's light-front momentum at a characteristic hadronic scale. Corrections to the leading contribution may be divided into two classes, responsible for shifting dressed-quark momentum into glue and sea-quarks. Working with available empirical information, we use an algebraic model to express the principal impact of both classes of corrections. This enables a realistic comparison with experiment that allows us to highlight the basic features of the pion's measurable valence-quark distribution, q{sup π}(x); namely, at a characteristic hadronic scale, q{sup π}(x)∼(1−x){sup 2} for x≳0.85; and the valence-quarks carry approximately two-thirds of the pion's light-front momentum.
Spectroscopic determination of valence band parameters in InP
International Nuclear Information System (INIS)
Lewis, R.A.; Lough, B.C.C.
2003-01-01
Full text: The general form of the Hamiltonian for an electron or hole in a semiconductor has been given by Luttinger. The valence band is characterised by three parameters - γ 1 , γ 2 , γ 3 -now commonly known as the Luttinger parameters. Despite many investigations there is still considerable uncertainty regarding the Luttinger parameters of InP. The situation has been reviewed by Hackenberg et al. These authors themselves sought to determine the Luttinger parameters by hot-electron luminescence and discovered that many Luttinger parameter triplets were consistent with their data. We employ a spectroscopic approach to estimating valence-band parameters in InP. Calculations have been made for both the unperturbed energy levels and the energy levels in a magnetic field of acceptor impurities in semiconductors characterised by different Luttinger parameters. We compare our recent experimental data for the transitions associated with the Zn acceptor impurity in InP in magnetic fields up to 30 T to determine the most appropriate set of valence-band parameters for InP
Chromium valences in ureilite olivine and implications for ureilite petrogenesis
Goodrich, C. A.; Sutton, S. R.; Wirick, S.; Jercinovic, M. J.
2013-12-01
Ureilites are a group of ultramafic achondrites commonly thought to be residues of partial melting on a carbon-rich asteroid. They show a large variation in FeO content (olivine Fo values ranging from ∼74 to 95) that cannot be due to igneous fractionation and suggests instead variation in oxidation state. The presence of chromite in only a few of the most ferroan (Fo 75-76) samples appears to support such a model. MicroXANES analyses were used in this study to determine the valence states of Cr (previously unknown) in olivine cores of 11 main group ureilites. The goal of this work was to use a method that is independent of Fo to determine the oxidation conditions under which ureilites formed, in order to evaluate whether the ureilite FeO-variation is correlated with oxidation state, and whether it is nebular or planetary in origin. Two of the analyzed samples, LEW 88774 (Fo 74.2) and NWA 766 (Fo 76.7) contain primary chromite; two others, LAP 03587 (Fo 74.4) and CMS 04048 (Fo 76.2) contain sub-micrometer-sized exsolutions of chromite + Ca-rich pyroxene in olivine; and one, EET 96328 (Fo 85.2) contains an unusual chromite grain of uncertain origin. No chromite has been observed in the remaining six samples (Fo 77.4-92.3). Chromium in olivine in all eleven samples was found to be dominated by the divalent species, with valences ranging from 2.10 ± 0.02 (1σ) to 2.46 ± 0.04. The non-chromite-bearing ureilites have the most reduced Cr, with a weighted mean valence of 2.12 ± 0.01, i.e., Cr2+/Cr3+ = 7.33. All low-Fo chromite-bearing ureilites have more oxidized Cr, with valences ranging from 2.22 ± 0.03 to 2.46 ± 0.04. EET 96328, whose chromite grain we interpret as a late-crystallizing phase, yielded a reduced Cr valence of 2.15 ± 0.07, similar to the non-chromite-bearing samples. Based on the measured Cr valences, magmatic (1200-1300 °C) oxygen fugacities (fO2) of the non-chromite-bearing samples were estimated to be in the range IW-1.9 to IW-2.8 (assuming
Measurement of valence band structure in arbitrary dielectric films
International Nuclear Information System (INIS)
Uhm, Han S.; Choi, Eun H.
2012-01-01
A new way of measuring the band structure of various dielectric materials using the secondary electron emission from Auger neutralization of ions is introduced. The first example of this measurement scheme is the magnesium oxide (MgO) films with respect to the application of the films in the display industries. The density of state in the valence bands of MgO film and MgO film with a functional layer (FL) deposited over a dielectric surface reveals that the density peak of film with a FL is considerably less than that of film, thereby indicating a better performance of MgO film with functional layer in display devices. The second example of the measurement is the boron-zinc oxide (BZO) films with respect to the application of the films to the development of solar cells. The measurement of density of state in BZO film suggests that a high concentration of boron impurity in BZO films may enhance the transition of electrons and holes through the band gap from the valence to the conduction band in zinc oxide crystals; thereby improving the conductivity of the film. Secondary electron emission by the Auger neutralization of ions is highly instrumental for the determination of the density of states in the valence band of dielectric materials.
Compton scattering from nuclei and photo-absorption sum rules
International Nuclear Information System (INIS)
Gorchtein, Mikhail; Hobbs, Timothy; Londergan, J. Timothy; Szczepaniak, Adam P.
2011-01-01
We revisit the photo-absorption sum rule for real Compton scattering from the proton and from nuclear targets. In analogy with the Thomas-Reiche-Kuhn sum rule appropriate at low energies, we propose a new 'constituent quark model' sum rule that relates the integrated strength of hadronic resonances to the scattering amplitude on constituent quarks. We study the constituent quark model sum rule for several nuclear targets. In addition, we extract the α=0 pole contribution for both proton and nuclei. Using the modern high-energy proton data, we find that the α=0 pole contribution differs significantly from the Thomson term, in contrast with the original findings by Damashek and Gilman.
Unidirectional ring-laser operation using sum-frequency mixing
DEFF Research Database (Denmark)
Tidemand-Lichtenberg, Peter; Cheng, Haynes Pak Hay; Pedersen, Christian
2010-01-01
A technique enforcing unidirectional operation of ring lasers is proposed and demonstrated. The approach relies on sum-frequency mixing between a single-pass laser and one of the two counterpropagating intracavity fields of the ring laser. Sum-frequency mixing introduces a parametric loss for the...... where lossless second-order nonlinear materials are available. Numerical modeling and experimental demonstration of parametric-induced unidirectional operation of a diode-pumped solid-state 1342 nm cw ring laser are presented.......A technique enforcing unidirectional operation of ring lasers is proposed and demonstrated. The approach relies on sum-frequency mixing between a single-pass laser and one of the two counterpropagating intracavity fields of the ring laser. Sum-frequency mixing introduces a parametric loss...
A simple derivation of new sum rules of Bessel functions
International Nuclear Information System (INIS)
Ciocci, F.; Dattoli, G.; Dipace, A.
1985-01-01
In this note it is exploited a recently suggested technique to get simple expressions for a class of sum rules of Bessel functions appearing in plasma physics; their relevance to the numerical evaluation of the Turkin function is also discussed
Asymptotic distribution of products of sums of independent random ...
Indian Academy of Sciences (India)
integrable random variables (r.v.) are asymptotically log-normal. This fact ... the product of the partial sums of i.i.d. positive random variables as follows. .... Now define ..... by Henan Province Foundation and Frontier Technology Research Plan.
QCD sum rules and applications to nuclear physics
Energy Technology Data Exchange (ETDEWEB)
Cohen, T D [Maryland Univ., College Park, MD (United States). Dept. of Physics; [Washington Univ., Seattle, WA (United States). Dept. of Physics and Inst. for Nuclear Theory; Furnstahl, R J [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Griegel, D K [Maryland Univ., College Park, MD (United States). Dept. of Physics; [TRIUMF, Vancouver, BC (Canada); Xuemin, J
1994-12-01
Applications of QCD sum-rule methods to the physics of nuclei are reviewed, with an emphasis on calculations of baryon self-energies in infinite nuclear matter. The sum-rule approach relates spectral properties of hadrons propagating in the finite-density medium, such as optical potentials for quasinucleons, to matrix elements of QCD composite operators (condensates). The vacuum formalism for QCD sum rules is generalized to finite density, and the strategy and implementation of the approach is discussed. Predictions for baryon self-energies are compared to those suggested by relativistic nuclear physics phenomenology. Sum rules for vector mesons in dense nuclear matter are also considered. (author). 153 refs., 8 figs.
Effectiveness evaluation of contingency sum as a risk management ...
African Journals Online (AJOL)
Ethiopian Journal of Environmental Studies and Management ... manage risks prone projects have adopted several methods, one of which is contingency sum. ... initial project cost, cost overrun and percentage allowed for contingency.
Power sums of fibonacci and Lucas numbers | Chu | Quaestiones ...
African Journals Online (AJOL)
Lucas numbers are established, which include, as special cases, four for-mulae for odd power sums of Melham type on Fibonacci and Lucas numbers, obtained recently by Ozeki and Prodinger (2009). Quaestiones Mathematicae 34(2011), 75- ...
The black hole interior and a curious sum rule
International Nuclear Information System (INIS)
Giveon, Amit; Itzhaki, Nissan; Troost, Jan
2014-01-01
We analyze the Euclidean geometry near non-extremal NS5-branes in string theory, including regions beyond the horizon and beyond the singularity of the black brane. The various regions have an exact description in string theory, in terms of cigar, trumpet and negative level minimal model conformal field theories. We study the worldsheet elliptic genera of these three superconformal theories, and show that their sum vanishes. We speculate on the significance of this curious sum rule for black hole physics
QCD sum rule for nucleon in nuclear matter
International Nuclear Information System (INIS)
Mallik, S.; Sarkar, Sourav
2010-01-01
We consider the two-point function of nucleon current in nuclear matter and write a QCD sum rule to analyse the residue of the nucleon pole as a function of nuclear density. The nucleon self-energy needed for the sum rule is taken as input from calculations using phenomenological N N potential. Our result shows a decrease in the residue with increasing nuclear density, as is known to be the case with similar quantities. (orig.)
Convolutional Codes with Maximum Column Sum Rank for Network Streaming
Mahmood, Rafid; Badr, Ahmed; Khisti, Ashish
2015-01-01
The column Hamming distance of a convolutional code determines the error correction capability when streaming over a class of packet erasure channels. We introduce a metric known as the column sum rank, that parallels column Hamming distance when streaming over a network with link failures. We prove rank analogues of several known column Hamming distance properties and introduce a new family of convolutional codes that maximize the column sum rank up to the code memory. Our construction invol...
The black hole interior and a curious sum rule
Energy Technology Data Exchange (ETDEWEB)
Giveon, Amit [Racah Institute of Physics, The Hebrew University,Jerusalem, 91904 (Israel); Itzhaki, Nissan [Physics Department, Tel-Aviv University,Ramat-Aviv, 69978 (Israel); Troost, Jan [Laboratoire de Physique Théorique,Unité Mixte du CRNS et de l’École Normale Supérieure,associée à l’Université Pierre et Marie Curie 6,UMR 8549 École Normale Supérieure,24 Rue Lhomond Paris 75005 (France)
2014-03-12
We analyze the Euclidean geometry near non-extremal NS5-branes in string theory, including regions beyond the horizon and beyond the singularity of the black brane. The various regions have an exact description in string theory, in terms of cigar, trumpet and negative level minimal model conformal field theories. We study the worldsheet elliptic genera of these three superconformal theories, and show that their sum vanishes. We speculate on the significance of this curious sum rule for black hole physics.
GDH sum rule measurement at low Q2
International Nuclear Information System (INIS)
Bianchi, N.
1996-01-01
The Gerasimov-Drell-Hearn (GDH) sum rule is based on a general dispersive relation for the forward Compton scattering. Multipole analysis suggested the possible violation of the sum rule. Some propositions have been made to modify the original GDH expression. An effort is now being made in several laboratories to shred some light on this topic. The purposes of the different planned experiments are briefly presented according to their Q 2 range
A Quantum Approach to Subset-Sum and Similar Problems
Daskin, Ammar
2017-01-01
In this paper, we study the subset-sum problem by using a quantum heuristic approach similar to the verification circuit of quantum Arthur-Merlin games. Under described certain assumptions, we show that the exact solution of the subset sum problem my be obtained in polynomial time and the exponential speed-up over the classical algorithms may be possible. We give a numerical example and discuss the complexity of the approach and its further application to the knapsack problem.
Spectral sum rule for time delay in R2
International Nuclear Information System (INIS)
Osborn, T.A.; Sinha, K.B.; Bolle, D.; Danneels, C.
1985-01-01
A local spectral sum rule for nonrelativistic scattering in two dimensions is derived for the potential class velement ofL 4 /sup // 3 (R 2 ). The sum rule relates the integral over all scattering energies of the trace of the time-delay operator for a finite region Σis contained inR 2 to the contributions in Σ of the pure point and singularly continuous spectra
Light-cone sum rules: A SCET-based formulation
De Fazio, F; Hurth, Tobias; Feldmann, Th.
2007-01-01
We describe the construction of light-cone sum rules (LCSRs) for exclusive $B$-meson decays into light energetic hadrons from correlation functions within soft-collinear effective theory (SCET). As an example, we consider the SCET sum rule for the $B \\to \\pi$ transition form factor at large recoil, including radiative corrections from hard-collinear loop diagrams at first order in the strong coupling constant.
A Global Optimization Algorithm for Sum of Linear Ratios Problem
Yuelin Gao; Siqiao Jin
2013-01-01
We equivalently transform the sum of linear ratios programming problem into bilinear programming problem, then by using the linear characteristics of convex envelope and concave envelope of double variables product function, linear relaxation programming of the bilinear programming problem is given, which can determine the lower bound of the optimal value of original problem. Therefore, a branch and bound algorithm for solving sum of linear ratios programming problem is put forward, and the c...
An Algorithm to Solve the Equal-Sum-Product Problem
Nyblom, M. A.; Evans, C. D.
2013-01-01
A recursive algorithm is constructed which finds all solutions to a class of Diophantine equations connected to the problem of determining ordered n-tuples of positive integers satisfying the property that their sum is equal to their product. An examination of the use of Binary Search Trees in implementing the algorithm into a working program is given. In addition an application of the algorithm for searching possible extra exceptional values of the equal-sum-product problem is explored after...
Hadronic final states and sum rules in deep inelastic processes
International Nuclear Information System (INIS)
Pal, B.K.
1977-01-01
In order to get maximum information on the hadronic final states and sum rules in deep inelastic processes, Regge phenomenology and quarks parton model have been used. The unified picture for the production of hadrons of type i as a function of Bjorken and Feyman variables with only one adjustable parameter is formulated. The results of neutrino experiments and the production of charm particles are discussed in sum rules. (author)
Comment on QCD sum rules and weak bottom decays
International Nuclear Information System (INIS)
Guberina, B.; Machet, B.
1982-07-01
QCD sum rules derived by Bourrely et al. are applied to B-decays to get a lower and an upper bound for the decay rate. The sum rules are shown to be essentially controlled by the large mass scales involved in the process. These bounds combined with the experimental value of BR (B→eνX) provide an upper bound for the lifetime of the B + meson. A comparison is made with D-meson decays
On the general Dedekind sums and its reciprocity formula
Indian Academy of Sciences (India)
if x is an integer. The various properties of S(h, q) were investigated by many authors. Maybe the most famous property of Dedekind sums is the reciprocity formula (see [2–4]):. S(h, q) + S(q, h) = h2 + q2 + 1. 12hq. −. 1. 4. (1) for all (h, q) = 1,q > 0,h> 0. The main purpose of this paper is to introduce a general. Dedekind sum:.
Root and Critical Point Behaviors of Certain Sums of Polynomials
Indian Academy of Sciences (India)
13
There is an extensive literature concerning roots of sums of polynomials. Many papers and books([5], [6],. [7]) have written about these polynomials. Perhaps the most immediate question of sums of polynomials,. A + B = C, is “given bounds for the roots of A and B, what bounds can be given for the roots of C?” By. Fell [3], if ...
Hänninen, Mikko M; Välivaara, Juha; Mota, Antonio J; Colacio, Enrique; Lloret, Francesc; Sillanpää, Reijo
2013-02-18
A series of six mixed-valence Mn(II)/Mn(III) dinuclear complexes were synthesized and characterized by X-ray diffraction. The reactivity of the complexes was surveyed, and structures of three additional trinuclear mixed-valence Mn(III)/Mn(II)/Mn(III) species were resolved. The magnetic properties of the complexes were studied in detail both experimentally and theoretically. All dinuclear complexes show ferromagnetic intramolecular interactions, which were justified on the basis of the electronic structures of the Mn(II) and Mn(III) ions. The large Mn(II)-O-Mn(III) bond angle and small distortion of the Mn(II) cation from the ideal square pyramidal geometry were shown to enhance the ferromagnetic interactions since these geometrical conditions seem to favor the orthogonal arrangement of the magnetic orbitals.
Lin, Qisheng; Miller, Gordon J
2018-01-16
Intermetallic compounds represent an extensive pool of candidates for energy related applications stemming from magnetic, electric, optic, caloric, and catalytic properties. The discovery of novel intermetallic compounds can enhance understanding of the chemical principles that govern structural stability and chemical bonding as well as finding new applications. Valence electron-poor polar intermetallics with valence electron concentrations (VECs) between 2.0 and 3.0 e - /atom show a plethora of unprecedented and fascinating structural motifs and bonding features. Therefore, establishing simple structure-bonding-property relationships is especially challenging for this compound class because commonly accepted valence electron counting rules are inappropriate. During our efforts to find quasicrystals and crystalline approximants by valence electron tuning near 2.0 e - /atom, we observed that compositions close to those of quasicrystals are exceptional sources for unprecedented valence electron-poor polar intermetallics, e.g., Ca 4 Au 10 In 3 containing (Au 10 In 3 ) wavy layers, Li 14.7 Mg 36.8 Cu 21.5 Ga 66 adopting a type IV clathrate framework, and Sc 4 Mg x Cu 15-x Ga 7.5 that is incommensurately modulated. In particular, exploratory syntheses of AAu 3 T (A = Ca, Sr, Ba and T = Ge, Sn) phases led to interesting bonding features for Au, such as columns, layers, and lonsdaleite-type tetrahedral frameworks. Overall, the breadth of Au-rich polar intermetallics originates, in part, from significant relativistics effect on the valence electrons of Au, effects which result in greater 6s/5d orbital mixing, a small effective metallic radius, and an enhanced Mulliken electronegativity, all leading to ultimate enhanced binding with nearly all metals including itself. Two other successful strategies to mine electron-poor polar intermetallics include lithiation and "cation-rich" phases. Along these lines, we have studied lithiated Zn-rich compounds in which structural
Noland, R.A.; Walker, D.E.
1961-06-13
A process is given for bonding aluminum to aluminum. Silicon powder is applied to at least one of the two surfaces of the two elements to be bonded, the two elements are assembled and rubbed against each other at room temperature whereby any oxide film is ruptured by the silicon crystals in the interface; thereafter heat and pressure are applied whereby an aluminum-silicon alloy is formed, squeezed out from the interface together with any oxide film, and the elements are bonded.
Chiral corrections to the Adler-Weisberger sum rule
Beane, Silas R.; Klco, Natalie
2016-12-01
The Adler-Weisberger sum rule for the nucleon axial-vector charge, gA , offers a unique signature of chiral symmetry and its breaking in QCD. Its derivation relies on both algebraic aspects of chiral symmetry, which guarantee the convergence of the sum rule, and dynamical aspects of chiral symmetry breaking—as exploited using chiral perturbation theory—which allow the rigorous inclusion of explicit chiral symmetry breaking effects due to light-quark masses. The original derivations obtained the sum rule in the chiral limit and, without the benefit of chiral perturbation theory, made various attempts at extrapolating to nonvanishing pion masses. In this paper, the leading, universal, chiral corrections to the chiral-limit sum rule are obtained. Using PDG data, a recent parametrization of the pion-nucleon total cross sections in the resonance region given by the SAID group, as well as recent Roy-Steiner equation determinations of subthreshold amplitudes, threshold parameters, and correlated low-energy constants, the Adler-Weisberger sum rule is confronted with experimental data. With uncertainty estimates associated with the cross-section parametrization, the Goldberger-Treimann discrepancy, and the truncation of the sum rule at O (Mπ4) in the chiral expansion, this work finds gA=1.248 ±0.010 ±0.007 ±0.013 .
Chauhan, Preeti S; Zhong, ZhaoWei; Pecht, Michael G
2014-01-01
This critical volume provides an in-depth presentation of copper wire bonding technologies, processes and equipment, along with the economic benefits and risks. Due to the increasing cost of materials used to make electronic components, the electronics industry has been rapidly moving from high cost gold to significantly lower cost copper as a wire bonding material. However, copper wire bonding has several process and reliability concerns due to its material properties. Copper Wire Bonding book lays out the challenges involved in replacing gold with copper as a wire bond material, and includes the bonding process changes—bond force, electric flame off, current and ultrasonic energy optimization, and bonding tools and equipment changes for first and second bond formation. In addition, the bond–pad metallurgies and the use of bare and palladium-coated copper wires on aluminum are presented, and gold, nickel and palladium surface finishes are discussed. The book also discusses best practices and re...
Excitations of one-valence-proton, one-valence-neutron nucleus {sup 210}Bi from cold-neutron capture
Energy Technology Data Exchange (ETDEWEB)
Cieplicka-Oryńczak, N. [INFN sezione di Milano, Via Celoria 16, 20133 Milano (Italy); Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Kraków (Poland); Fornal, B.; Szpak, B. [Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Kraków (Poland); Leoni, S.; Bottoni, S. [INFN sezione di Milano, Via Celoria 16, 20133 Milano (Italy); Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Bazzacco, D. [Dipartimento di Fisica e Astronomia dell’Università, I-35131 Padova (Italy); INFN Sezione di Padova, I-35131 Padova (Italy); Blanc, A.; Jentschel, M.; Köster, U.; Mutti, P.; Soldner, T. [Institute Laue-Langevin, 6, rue Jules Horowitz, 38042 Grenoble Cedex 9 (France); Bocchi, G. [Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); France, G. de [GANIL, Bd. Becquerel, BP 55027, 14076 CAEN Cedex 05 (France); Simpson, G. [LPSC, Université Joseph Fourier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble, F-38026 Grenoble Cedex (France); Ur, C. [INFN Sezione di Padova, Via F. Marzolo 8, I-35131 Padova (Italy); Urban, W. [Faculty of Physics, University of Warsaw, ul. Hoża 69, 02-681, Warszawa (Poland)
2015-10-15
The low-spin structure of one-proton, one-neutron {sup 210}Bi nucleus was investigated in cold-neutron capture reaction on {sup 209}Bi. The γ-coincidence measurements were performed with use of EXILL array consisted of 16 HPGe detectors. The experimental results were compared to shell-model calculations involving valence particles excitations. The {sup 210}Bi nucleus offers the potential to test the effective proton-neutron interactions because most of the states should arise from the proton-neutron excitations. Additionally, it was discovered that a few states should come from the couplings of valence particles to the 3{sup −} octupole vibration in {sup 208}Pb which provides also the possibility of testing the calculations involving the core excitations.
Valenced cues and contexts have different effects on event-based prospective memory.
Graf, Peter; Yu, Martin
2015-01-01
This study examined the separate influence and joint influences on event-based prospective memory task performance due to the valence of cues and the valence of contexts. We manipulated the valence of cues and contexts with pictures from the International Affective Picture System. The participants, undergraduate students, showed higher performance when neutral compared to valenced pictures were used for cueing prospective memory. In addition, neutral pictures were more effective as cues when they occurred in a valenced context than in the context of neutral pictures, but the effectiveness of valenced cues did not vary across contexts that differed in valence. The finding of an interaction between cue and context valence indicates that their respective influence on event-based prospective memory task performance cannot be understood in isolation from each other. Our findings are not consistent with by the prevailing view which holds that the scope of attention is broadened and narrowed, respectively, by positively and negatively valenced stimuli. Instead, our findings are more supportive of the recent proposal that the scope of attention is determined by the motivational intensity associated with valenced stimuli. Consistent with this proposal, we speculate that the motivational intensity associated with different retrieval cues determines the scope of attention, that contexts with different valence values determine participants' task engagement, and that prospective memory task performance is determined jointly by attention scope and task engagement.
Valenced cues and contexts have different effects on event-based prospective memory.
Directory of Open Access Journals (Sweden)
Peter Graf
Full Text Available This study examined the separate influence and joint influences on event-based prospective memory task performance due to the valence of cues and the valence of contexts. We manipulated the valence of cues and contexts with pictures from the International Affective Picture System. The participants, undergraduate students, showed higher performance when neutral compared to valenced pictures were used for cueing prospective memory. In addition, neutral pictures were more effective as cues when they occurred in a valenced context than in the context of neutral pictures, but the effectiveness of valenced cues did not vary across contexts that differed in valence. The finding of an interaction between cue and context valence indicates that their respective influence on event-based prospective memory task performance cannot be understood in isolation from each other. Our findings are not consistent with by the prevailing view which holds that the scope of attention is broadened and narrowed, respectively, by positively and negatively valenced stimuli. Instead, our findings are more supportive of the recent proposal that the scope of attention is determined by the motivational intensity associated with valenced stimuli. Consistent with this proposal, we speculate that the motivational intensity associated with different retrieval cues determines the scope of attention, that contexts with different valence values determine participants' task engagement, and that prospective memory task performance is determined jointly by attention scope and task engagement.
Real space in situ bond energies: toward a consistent energetic definition of bond strength.
Menéndez-Crespo, Daniel; Costales, Aurora; Francisco, Evelio; Martin Pendas, Angel
2018-04-14
A rigorous definition of intrinsic bond strength based on the partitioning of a molecule into real space fragments is presented. Using the domains provided by the quantum theory of atoms in molecules (QTAIM) together with the interacting quantum atoms (IQA) energetic decomposition, we show how an in situ bond strength, matching all the requirements of an intrinsic bond energy, can be defined between each pair of fragments. Total atomization or fragmentation energies are shown to be equal to the sum of these in situ bond energies (ISBEs) if the energies of the fragments are measured with respect to their in-the-molecule state. These energies usually lie above the ground state of the isolated fragments by quantities identified with the standard fragment relaxation or deformation energies, which are also provided by the protocol. Deformation energies bridge dissociation energies with ISBEs, and can be dissected using well-known tools of real space theories of chemical bonding. Similarly, ISBEs can be partitioned into ionic and covalent contributions, and this feature adds to the chemical appeal of the procedure. All the energetic quantities examined are observable and amenable, in principle, to experimental determination. Several systems, exemplifying the role of each energetic term herein presented are used to show the power of the approach. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Radiation-induced glycoside bond breaking in cellulose methyl ethers
International Nuclear Information System (INIS)
Petryaev, E.P.; Boltromeyuk, V.V.; Kovalenko, N.I.; Shadyro, O.I.
1988-01-01
Radiation-induced destruction of cellulose methyl ethers of different degree of esterification in aqueous solutions with and without acceptors: (N 2 O, O 2 , H 2 O + , Co(2), Cu(2)) is investigated. It is established that OH radicals make main contribution into radiolytic transformations of cellulose ethers in aqueous solutions. Reactions of radicals with free valency on carbon atoms containing secondary nonsubstituted hydroxyl groups lead also to glycoside bond breaking besides the reaction of β-fragmentation and hydrolysis of radicals with an unpaired electron localized near C 1 , C 4 , C 5 aroms
Energy Technology Data Exchange (ETDEWEB)
Van Tuyen, Ho [Duy Tan University, 3 Quang Trung, Hai Chau, Da Nang (Viet Nam); Nonaka, Takamasa; Yamanaka, Ken-ichi [Toyota Central R& D Labs., Inc., Nagakute, Aichi (Japan); Chau, Pham Minh; Quy Hai, Nguyen Thi; Quang, Vu Xuan [Duy Tan University, 3 Quang Trung, Hai Chau, Da Nang (Viet Nam); Nogami, Masayuki, E-mail: mnogami@mtj.biglobe.ne.jp [Toyota Physical and Chemical Research Institute, Nagakute, Aichi (Japan); Ton Duc Thang University, Ho Chi Minh City (Viet Nam); Duy Tan University, 3 Quang Trung, Hai Chau, Da Nang (Viet Nam)
2017-04-15
Controlling of valence states of metal ions doped in glasses has attracted considerable interest due to the possibility of looking toward optical applications. In this study, new Na{sub 2}O-Al{sub 2}O{sub 3}-SiO{sub 2} glasses were developed to dope Eu{sup 2+} and Mn{sup 2+} with well controlled valence states by heating in H{sub 2} gas atmosphere, and the changes in the valence state of doped-ions and their fluorescence properties were investigated using visible and infrared optical absorption spectroscopies, X-ray absorption fine structure spectroscopy, and fluorescence spectroscopy. Among Eu{sup 3+}, Mn{sup 3+} and Mn{sup 2+} ions incorporated in the as-prepared glasses, the Eu{sup 3+} and Mn{sup 3+} ions were reduced to Eu{sup 2+} and Mn{sup 2+} ions, respectively, by heating in H{sub 2} gas and OH bonds were concurrently formed. The fluorescence spectra of glasses heated in H{sub 2} exhibited broad emission bands at 450 and 630 nm wavelength, assigned to the Eu{sup 2+} and Mn{sup 2+}, respectively, ions, in which the fluorescence intensity at 450 nm was observed to decrease with increasing Mn{sup 2+} ion content. The increased fluorescence intensities were analyzed as the energy transfer from Eu{sup 2+} to Mn{sup 2+} ions and the energy transfer efficiency was estimated with a concentration of Eu{sup 2+}and Mn{sup 2+} ions.
Transversely Compressed Bonded Joints
DEFF Research Database (Denmark)
Hansen, Christian Skodborg; Schmidt, Jacob Wittrup; Stang, Henrik
2012-01-01
The load capacity of bonded joints can be increased if transverse pressure is applied at the interface. The transverse pressure is assumed to introduce a Coulomb-friction contribution to the cohesive law for the interface. Response and load capacity for a bonded single-lap joint was derived using...
Toward a simple molecular understanding of sum frequency generation at air-water interfaces
Energy Technology Data Exchange (ETDEWEB)
Noah-Vanhoucke, Joyce; Smith, Jared D.; Geissler, Phillip L.
2009-01-13
Second-order vibrational spectroscopies successfully isolate signals from interfaces, but they report on intermolecular structure in a complicated and indirect way. Here we adapt a perspective on vibrational response developed for bulk spectroscopies to explore the microscopic fluctuations to which sum frequency generation (SFG), a popular surface-specific measurement, is most sensitive. We focus exclusively on inhomogeneous broadening of spectral susceptibilities for OH stretching of HOD as a dilute solute in D{sub 2}O. Exploiting a simple connection between vibrational frequency shifts and an electric field variable, we identify several functions of molecular orientation whose averages govern SFG. The frequency-dependence of these quantities is well captured by a pair of averages, involving alignment of OH and OD bonds with the surface normal at corresponding values of the electric field. The approximate form we obtain for SFG susceptibility highlights a dramatic sensitivity to the way a simulated liquid slab is partitioned for calculating second-order response.
DEFF Research Database (Denmark)
Tell, Michael
2015-01-01
Corporate financing is the choice between capital generated by the corporation and capital from external investors. However, since the financial crisis shook the markets in 2007–2008, financing opportunities through the classical means of financing have decreased. As a result, corporations have...... to think in alternative ways such as issuing corporate bonds. A market for corporate bonds exists in countries such as Norway, Germany, France, the United Kingdom and the United States, while Denmark is still behind in this trend. Some large Danish corporations have instead used foreign corporate bonds...... markets. However, NASDAQ OMX has introduced the First North Bond Market in December 2012 and new regulatory framework came into place in 2014, which may contribute to a Danish based corporate bond market. The purpose of this article is to present the regulatory changes in Denmark in relation to corporate...
International Nuclear Information System (INIS)
Feng, R.; Cooper, G.; Burton, G.R.; Brion, C.E.; Avaldi, L.
1999-01-01
Absolute photoabsorption oscillator strengths (cross-sections) for the valence shell discrete and continuum regions of sulphur dioxide from 3.5 to 51 eV have been measured using high resolution (∼0.05 eV FWHM) dipole (e,e) spectroscopy. A wide-range spectrum, covering both the valence shell and the S 2p and 2s inner shells, has also been obtained from 5 to 260 eV at low resolution (∼1 eV FWHM), and this has been used to determine the absolute oscillator strength scale using valence shell TRK (i.e., S(0)) sum-rule normalization. The present measurements have been undertaken in order to investigate the recently discovered significant quantitative errors in our previously published low resolution dipole (e,e) work on sulphur dioxide (Cooper et al., Chem. Phys. 150 (1991) 237; 150 (1991) 251). These earlier measurements were also in poor agreement with other previously published direct photoabsorption measurements. We now report new absolute photoabsorption oscillator strengths using both high and low resolution dipole (e,e) spectroscopies. These new measurements cover a wider energy range and are much more consistent with the previously published direct photoabsorption measurements. The accuracy of our new measurements is confirmed by an S(-2) dipole sum-rule analysis which gives a static dipole polarizability for sulphur dioxide in excellent agreement (within 3.5%) with previously reported polarizability values. Other dipole sums S(u) (u=-1,-3 to -6,-8,-10) and logarithmic dipole sums L(u) (u=-1 to -6) are also determined from the presently reported absolute oscillator strength distributions. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)
Effect of Oxidation Degree on Valence Change and Distribution of Octahedral Fe Element in Biotite
Directory of Open Access Journals (Sweden)
Li Ziqian
2017-01-01
Full Text Available In this paper, the valence change and distribution of iron elements in octahedral vacancies of biotite were studied in the oxidation process. The biotite and saturated barium nitrate solution were mixed in dilute hydrochloric acid under hydrothermal reaction conditions, the solid after reaction was used as the test sample. Firstly, the remainder potassium and iron content were measured by atomic absorption spectrometry(AAS. Secondly, the state of iron along with oxidation degree increased was analyzed, in addition, the phase composition and the change of layer spacing in samples was detected by X-ray diffraction(XRD. Thirdly, The variation mode of Si-O bond were characterized by Fourier transform infrared spectroscopy(FT-IR.This research was adopted hydrogen ions in diluted hydrochloric acid and nitrate ions in barium nitrate to provide oxidation environment for reaction, and the oxidation degree was controlled by adjusted the amount of hydrogen ion introduced. We found out that the amount of hydrogen ion is positively correlated with oxidation degree in biotite, and the deeper oxidation degree in biotite, the lower electronegativity of singer layer. Potassium and iron element would be release out of micaceous structure during the biotite oxidation. The higher the oxidation degree is, the greater the releasing happen. The charge density combining Fe oxidation and releasing firstly increased then decreased with the oxidation degree turned greater. During the oxidation, the Si-O vibrated would change from parallel layer vibration model to vertical vibration model.
Electronic and transport properties of Cobalt-based valence tautomeric molecules and polymers
Chen, Yifeng; Calzolari, Arrigo; Buongiorno Nardelli, Marco
2011-03-01
The advancement of molecular spintronics requires further understandings of the fundamental electronic structures and transport properties of prototypical spintronics molecules and polymers. Here we present a density functional based theoretical study of the electronic structures of Cobalt-based valence tautomeric molecules Co III (SQ)(Cat)L Co II (SQ)2 L and their polymers, where SQ refers to the semiquinone ligand, and Cat the catecholate ligand, while L is a redox innocent backbone ligand. The conversion from low-spin Co III ground state to high-spin Co II excited state is realized by imposing an on-site potential U on the Co atom and elongating the Co-N bond. Transport properties are subsequently calculated by extracting electronic Wannier functions from these systems and computing the charge transport in the ballistic regime using a Non-Equilibrium Green's Function (NEGF) approach. Our transport results show distinct charge transport properties between low-spin ground state and high-spin excited state, hence suggesting potential spintronics devices from these molecules and polymers such as spin valves.
Mode-coupling theory predictions for a limited valency attractive square well model
International Nuclear Information System (INIS)
Zaccarelli, E; Saika-Voivod, I; Moreno, A J; Nave, E La; Buldyrev, S V; Sciortino, F; Tartaglia, P
2006-01-01
Recently we have studied, using numerical simulations, a limited valency model, i.e. an attractive square well model with a constraint on the maximum number of bonded neighbours. Studying a large region of temperatures T and packing fractions φ, we have estimated the location of the liquid-gas phase separation spinodal and the loci of dynamic arrest, where the system is trapped in a disordered non-ergodic state. Two distinct arrest lines for the system are present in the system: a (repulsive) glass line at high packing fraction, and a gel line at low φ and T. The former is essentially vertical φ controlled), while the latter is rather horizontal (T controlled) in the φ-T) plane. We here complement the molecular dynamics results with mode coupling theory calculations, using the numerical structure factors as input. We find that the theory predicts a repulsive glass line-in satisfactory agreement with the simulation results-and an attractive glass line, which appears to be unrelated to the gel line
Bond index: relation to second-order density matrix and charge fluctuations
International Nuclear Information System (INIS)
Giambiagi, M.S. de; Giambiagi, M.; Jorge, F.E.
1985-01-01
It is shown that, in the same way as the atomic charge is an invariant built from the first-order density matrix, the closed-shell generalized bond index is an invariant associated with the second-order reduced density matrix. The active charge of an atom (sum of bond indices) is shown to be the sum of all density correlation functions between it and the other atoms in the molecule; similarly, the self-charge is the fluctuation of its total charge. (Author) [pt
Determination of valence band parameters in ZnTe
Energy Technology Data Exchange (ETDEWEB)
Froehlich, D.; Noethe, A.; Reimann, K. (Duesseldorf Univ. (Germany, F.R.). Physikalisches Inst. - Lehrstuhl 2)
1984-10-01
The fine structure of the 2P exciton in ZnTe is studied by two-photon-absorption. The energy splitting into four states, caused by the envelope-hole coupling, allows the determination of the Luttinger parameters ..gamma../sub 2/ and ..gamma../sub 3/, which describe the complex valence band. ..gamma../sub 2/ = 0.8 and ..gamma../sub 3/ = 1.7 are obtained. These values are compared to results of other experiments mainly on 1S excitons.
Kondo and mixed-valence regimes in multilevel quantum dots
International Nuclear Information System (INIS)
Chudnovskiy, A. L.; Ulloa, S. E.
2001-01-01
We investigate the dependence of the ground state of a multilevel quantum dot on the coupling to an external fermionic system and on the interactions in the dot. As the coupling to the external system increases, the rearrangement of the effective energy levels in the dot signals the transition from the Kondo regime to a mixed-valence (MV) regime. The MV regime in a two-level dot is characterized by an intrinsic mixing of the levels in the dot, resulting in nonperturbative subtunneling and supertunneling phenomena that strongly influence the Kondo effect
Energy gaps, valence and conduction charge densities and optical properties of GaAs1‑xPx
Al-Hagan, O. A.; Algarni, H.; Bouarissa, N.; Alhuwaymel, T. F.; Ajmal Khan, M.
2018-04-01
The electronic structure and its derived valence and conduction charge distributions along with the optical properties of zinc-blende GaAs1‑xPx ternary alloys have been studied. The calculations are performed using a pseudopotential approach under the virtual crystal approximation (VCA) which takes into account the compositional disorder effect. Our findings are found to be generally in good accord with experiment. The composition dependence of direct and indirect bandgaps showed a clear bandgap bowing. The nature of the gap is found to depend on phosphorous content. The bonding and ionicity of the material of interest have been examined in terms of the anti-symmetric gap and charge densities. The variation in the optical constants versus phosphorous concentration has been discussed. The present investigation may give a useful applications in infrared and visible spectrum light emitters.
Closed-form summations of Dowker's and related trigonometric sums
International Nuclear Information System (INIS)
Cvijović, Djurdje; Srivastava, H M
2012-01-01
Through a unified and relatively simple approach which uses complex contour integrals, particularly convenient integration contours and calculus of residues, closed-form summation formulas for 12 very general families of trigonometric sums are deduced. One of them is a family of cosecant sums which was first summed in closed form in a series of papers by Dowker (1987 Phys. Rev. D 36 3095–101; 1989 J. Math. Phys. 30 770–3; 1992 J. Phys. A: Math. Gen. 25 2641–8), whose method has inspired our work in this area. All of the formulas derived here involve the higher-order Bernoulli polynomials. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical in honour of Stuart Dowker's 75th birthday devoted to ‘Applications of zeta functions and other spectral functions in mathematics and physics’. (paper)
A Bayesian analysis of the nucleon QCD sum rules
International Nuclear Information System (INIS)
Ohtani, Keisuke; Gubler, Philipp; Oka, Makoto
2011-01-01
QCD sum rules of the nucleon channel are reanalyzed, using the maximum-entropy method (MEM). This new approach, based on the Bayesian probability theory, does not restrict the spectral function to the usual ''pole + continuum'' form, allowing a more flexible investigation of the nucleon spectral function. Making use of this flexibility, we are able to investigate the spectral functions of various interpolating fields, finding that the nucleon ground state mainly couples to an operator containing a scalar diquark. Moreover, we formulate the Gaussian sum rule for the nucleon channel and find that it is more suitable for the MEM analysis to extract the nucleon pole in the region of its experimental value, while the Borel sum rule does not contain enough information to clearly separate the nucleon pole from the continuum. (orig.)
Subset-sum phase transitions and data compression
Merhav, Neri
2011-09-01
We propose a rigorous analysis approach for the subset-sum problem in the context of lossless data compression, where the phase transition of the subset-sum problem is directly related to the passage between ambiguous and non-ambiguous decompression, for a compression scheme that is based on specifying the sequence composition. The proposed analysis lends itself to straightforward extensions in several directions of interest, including non-binary alphabets, incorporation of side information at the decoder (Slepian-Wolf coding), and coding schemes based on multiple subset sums. It is also demonstrated that the proposed technique can be used to analyze the critical behavior in a more involved situation where the sequence composition is not specified by the encoder.
Limit theorems for multi-indexed sums of random variables
Klesov, Oleg
2014-01-01
Presenting the first unified treatment of limit theorems for multiple sums of independent random variables, this volume fills an important gap in the field. Several new results are introduced, even in the classical setting, as well as some new approaches that are simpler than those already established in the literature. In particular, new proofs of the strong law of large numbers and the Hajek-Renyi inequality are detailed. Applications of the described theory include Gibbs fields, spin glasses, polymer models, image analysis and random shapes. Limit theorems form the backbone of probability theory and statistical theory alike. The theory of multiple sums of random variables is a direct generalization of the classical study of limit theorems, whose importance and wide application in science is unquestionable. However, to date, the subject of multiple sums has only been treated in journals. The results described in this book will be of interest to advanced undergraduates, graduate students and researchers who ...
Power loss analysis in altered tooth-sum spur gearing
Directory of Open Access Journals (Sweden)
Sachidananda H. K.
2018-01-01
Full Text Available The main cause of power loss or dissipation of heat in case of meshed gears is due to friction existing between gear tooth mesh and is a major concern in low rotational speed gears, whereas in case of high operating speed the power loss taking place due to compression of air-lubricant mixture (churning losses and windage losses due to aerodynamic trial of air lubricant mixture which controls the total efficiency needs to be considered. Therefore, in order to improve mechanical efficiency it is necessary for gear designer during gear tooth optimization to consider these energy losses. In this research paper the power loss analysis for a tooth-sum of 100 altered by ±4% operating between a specified center distance is considered. The results show that negative altered tooth-sum gearing performs better as compared to standard and positive altered tooth-sum gearing.
Efficient simulation of tail probabilities of sums of correlated lognormals
DEFF Research Database (Denmark)
Asmussen, Søren; Blanchet, José; Juneja, Sandeep
We consider the problem of efficient estimation of tail probabilities of sums of correlated lognormals via simulation. This problem is motivated by the tail analysis of portfolios of assets driven by correlated Black-Scholes models. We propose two estimators that can be rigorously shown to be eff......We consider the problem of efficient estimation of tail probabilities of sums of correlated lognormals via simulation. This problem is motivated by the tail analysis of portfolios of assets driven by correlated Black-Scholes models. We propose two estimators that can be rigorously shown...... optimize the scaling parameter of the covariance. The second estimator decomposes the probability of interest in two contributions and takes advantage of the fact that large deviations for a sum of correlated lognormals are (asymptotically) caused by the largest increment. Importance sampling...
Convergence problems of Coulomb and multipole sums in crystals
International Nuclear Information System (INIS)
Kholopov, Evgenii V
2004-01-01
Different ways of calculating Coulomb and dipole sums over crystal lattices are analyzed comparatively. It is shown that the currently alleged disagreement between various approaches originates in ignoring the requirement for the self-consistency of surface conditions, which are of fundamental importance due to the long-range nature of the bulk interactions that these sums describe. This is especially true of surfaces arising when direct sums for infinite translation-invariant structures are truncated. The charge conditions for actual surfaces being self-consistently adjusted to the bulk state are formally the same as those on the truncation surface, consistent with the concept of the thermodynamic limit for the bulk-state absolute equilibrium and with the fact that the surface energy contribution in this case is, naturally, statistically small compared to the bulk contribution. Two-point multipole expansions are briefly discussed, and the problems associated with the boundary of their convergence circle are pointed out. (reviews of topical problems)
Closed-form summations of Dowker's and related trigonometric sums
Cvijović, Djurdje; Srivastava, H. M.
2012-09-01
Through a unified and relatively simple approach which uses complex contour integrals, particularly convenient integration contours and calculus of residues, closed-form summation formulas for 12 very general families of trigonometric sums are deduced. One of them is a family of cosecant sums which was first summed in closed form in a series of papers by Dowker (1987 Phys. Rev. D 36 3095-101 1989 J. Math. Phys. 30 770-3 1992 J. Phys. A: Math. Gen. 25 2641-8), whose method has inspired our work in this area. All of the formulas derived here involve the higher-order Bernoulli polynomials. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical in honour of Stuart Dowker's 75th birthday devoted to ‘Applications of zeta functions and other spectral functions in mathematics and physics’.
Spectral sum rules for the three-body problem
International Nuclear Information System (INIS)
Bolle, D.; Osborn, T.A.
1982-01-01
This paper derives a number of sum rules for nonrelativistic three-body scattering. These rules are valid for any finite region μ in the six-dimensional coordinate space. They relate energy moments of the trace of the onshell time-delay operator to the energy-weighted probability for finding the three-body bound-state wave functions in the region μ. If μ is all of the six-dimensional space, the global form of the sum rules is obtained. In this form the rules constitute higher-order Levinson's theorems for the three-body problem. Finally, the sum rules are extended to allow the energy momtns have complex powers
Moessbauer sum rules for use with synchrotron sources
International Nuclear Information System (INIS)
Lipkin, H.J.
1995-01-01
The availability of tunable synchrotron radiation sources with millivolt resolution has opened prospects for exploring dynamics of complex systems with Moessbauer spectroscopy. Early Moessbauer treatments and moment sum rules are extended to treat inelastic excitations measured in synchrotron experiments, with emphasis on the unique conditions absent in neutron scattering and arising in resonance scattering: prompt absorption, delayed emission, recoilfree transitions, and coherent forward scattering. The first moment sum rule normalizes the inelastic spectrum. Sum rules obtained for higher moments include the third moment proportional to the second derivative of the potential acting on the Moessbauer nucleus and independent of temperature in the harmonic approximation. Interesting information may be obtained on the behavior of the potential acting on this nucleus in samples not easily investigated with neutron scattering, e.g., small samples, thin films, time-dependent structures, and amorphous-metallic high pressure phases
Ramanujan sums via generalized Möbius functions and applications
Directory of Open Access Journals (Sweden)
Vichian Laohakosol
2006-01-01
Full Text Available A generalized Ramanujan sum (GRS is defined by replacing the usual Möbius function in the classical Ramanujan sum with the Souriau-Hsu-Möbius function. After collecting basic properties of a GRS, mostly containing existing ones, seven aspects of a GRS are studied. The first shows that the unique representation of even functions with respect to GRSs is possible. The second is a derivation of the mean value of a GRS. The third establishes analogues of the remarkable Ramanujan's formulae connecting divisor functions with Ramanujan sums. The fourth gives a formula for the inverse of a GRS. The fifth is an analysis showing when a reciprocity law exists. The sixth treats the problem of dependence. Finally, some characterizations of completely multiplicative function using GRSs are obtained and a connection of a GRS with the number of solutions of certain congruences is indicated.
A Shuttle Upper Atmosphere Mass Spectrometer /SUMS/ experiment
Blanchard, R. C.; Duckett, R. J.; Hinson, E. W.
1982-01-01
A magnetic mass spectrometer is currently being adapted to the Space Shuttle Orbiter to provide repeated high altitude atmosphere data to support in situ rarefied flow aerodynamics research, i.e., in the high velocity, low density flight regime. The experiment, called Shuttle Upper Atmosphere Mass Spectrometer (SUMS), is the first attempt to design mass spectrometer equipment for flight vehicle aerodynamic data extraction. The SUMS experiment will provide total freestream atmospheric quantitites, principally total mass density, above altitudes at which conventional pressure measurements are valid. Experiment concepts, the expected flight profile, tradeoffs in the design of the total system and flight data reduction plans are discussed. Development plans are based upon a SUMS first flight after the Orbiter initial development flights.
Dynamical local field, compressibility, and frequency sum rules for quasiparticles
International Nuclear Information System (INIS)
Morawetz, Klaus
2002-01-01
The finite temperature dynamical response function including the dynamical local field is derived within a quasiparticle picture for interacting one-, two-, and three-dimensional Fermi systems. The correlations are assumed to be given by a density-dependent effective mass, quasiparticle energy shift, and relaxation time. The latter one describes disorder or collisional effects. This parametrization of correlations includes local-density functionals as a special case and is therefore applicable for density-functional theories. With a single static local field, the third-order frequency sum rule can be fulfilled simultaneously with the compressibility sum rule by relating the effective mass and quasiparticle energy shift to the structure function or pair-correlation function. Consequently, solely local-density functionals without taking into account effective masses cannot fulfill both sum rules simultaneously with a static local field. The comparison to the Monte Carlo data seems to support such a quasiparticle picture
Chiral symmetry breaking parameters from QCD sum rules
Energy Technology Data Exchange (ETDEWEB)
Mallik, S [Karlsruhe Univ. (T.H.) (Germany, F.R.). Inst. fuer Theoretische Kernphysik; Bern Univ. (Switzerland). Inst. fuer Theoretische Physik)
1982-10-04
We obtain new QCD sum rules by considering vacuum expectation values of two-point functions, taking all the five quark bilinears into account. These sum rules are employed to extract values of different chiral symmetry breaking parameters in QCD theory. We find masses of light quarks, m=1/2msub(u)+msub(d)=8.4+-1.2 MeV, msub(s)=205+-65 MeV. Further, we obtain corrections to certain soft pion (kaon) PCAC relations and the violation of SU(3) flavour symmetry by the non-strange and strange quark-antiquark vacuum condensate.
Dispersion relations and sum rules for natural optical activity
International Nuclear Information System (INIS)
Thomaz, M.T.; Nussenzveig, H.M.
1981-06-01
Dispersion relations and sum rules are derived for the complex rotatory power of an arbitrary linear (nonmagnetic) isotropic medium showing natural optical activity. Both previously known dispersion relations and sum rules as well as new ones are obtained. It is shown that the Rosenfeld-Condon dispersion formula is inconsistent with the expected asymptotic behavior at high frequencies. A new dispersion formula based on quantum eletro-dynamics removes this inconsistency; however, it still requires modification in the low-frequency limit. (Author) [pt
Chiral restoration and the extended photoabsorption sum rule in nuclei
Energy Technology Data Exchange (ETDEWEB)
Ericson, M [Lyon-1 Univ., 69 - Villeurbanne (France). Inst. de Physique Nucleaire; [European Organization for Nuclear Research, Geneva (Switzerland); Rosa-Clot, M [Florence Univ. (Italy). Ist. di Fisica; [Istituto Nazionale di Fisica Nucleare, Florence (Italy); Kulagin, S A [Akademiya Meditsinskikh Nauk SSSR, Moscow (Russian Federation)
1996-07-01
The Bethe-Levinger sum rule is extended beyond the potential model. The pion degrees of freedom are taken into account and the modifications of the potential theory are analyzed within two different approaches: dipole sum rule and dispersion relation on the Compton amplitude. Our aim is to extract from the photon data experimental information on the expectation value of the square of the pion field, a quantity which enters also in the restoration of chiral symmetry in nuclei and in pion-nucleus scattering. We are led to incorporate in the description the {Delta} resonance, which is strongly excited by the pion degrees of freedom. 11 refs.
Chiral restoration and the extended photoabsorption sum rule in nuclei
International Nuclear Information System (INIS)
Ericson, M.; Rosa-Clot, M.; Kulagin, S.A.
1996-07-01
The Bethe-Levinger sum rule is extended beyond the potential model. The pion degrees of freedom are taken into account and the modifications of the potential theory are analyzed within two different approaches: dipole sum rule and dispersion relation on the Compton amplitude. Our aim is to extract from the photon data experimental information on the expectation value of the square of the pion field, a quantity which enters also in the restoration of chiral symmetry in nuclei and in pion-nucleus scattering. We are led to incorporate in the description the Δ resonance, which is strongly excited by the pion degrees of freedom
A zero-sum monetary system, interest rates, and implications
Hanley, Brian P.
2015-01-01
To the knowledge of the author, this is the first time it has been shown that interest rates that are extremely high by modern standards (100% and higher) are necessary within a zero-sum monetary system, and not just driven by greed. Extreme interest rates that appeared in various places and times reinforce the idea that hard money may have contributed to high rates of interest. Here a model is presented that examines the interest rate required to succeed as an investor in a zero-sum fixed qu...
Computation and theory of Euler sums of generalized hyperharmonic numbers
Xu, Ce
2017-01-01
Recently, Dil and Boyadzhiev \\cite{AD2015} proved an explicit formula for the sum of multiple harmonic numbers whose indices are the sequence $\\left( {{{\\left\\{ 0 \\right\\}}_r},1} \\right)$. In this paper we show that the sums of multiple harmonic numbers whose indices are the sequence $\\left( {{{\\left\\{ 0 \\right\\}}_r,1};{{\\left\\{ 1 \\right\\}}_{k-1}}} \\right)$ can be expressed in terms of (multiple) zeta values, multiple harmonic numbers and Stirling numbers of the first kind, and give an explic...
A Global Optimization Algorithm for Sum of Linear Ratios Problem
Directory of Open Access Journals (Sweden)
Yuelin Gao
2013-01-01
Full Text Available We equivalently transform the sum of linear ratios programming problem into bilinear programming problem, then by using the linear characteristics of convex envelope and concave envelope of double variables product function, linear relaxation programming of the bilinear programming problem is given, which can determine the lower bound of the optimal value of original problem. Therefore, a branch and bound algorithm for solving sum of linear ratios programming problem is put forward, and the convergence of the algorithm is proved. Numerical experiments are reported to show the effectiveness of the proposed algorithm.
Energy Technology Data Exchange (ETDEWEB)
Donoso, Roberto; Fuentealba, Patricio, E-mail: pfuentea@hotmail.es, E-mail: cardena@macul.ciencias.uchile.cl; Cárdenas, Carlos, E-mail: pfuentea@hotmail.es, E-mail: cardena@macul.ciencias.uchile.cl [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y la Nanotecnología (CEDENNA), Avda. Ecuador 3493, Santiago 9170124 (Chile); Rössler, Jaime [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Llano-Gil, Sandra [Faculty of Engineering, Food Engineering Program, Corporación Universitaria Lasallista, Caldas, Antioquia (Colombia)
2016-09-07
In this work, a model to explain the unusual stability of atomic lithium clusters in their highest spin multiplicity is presented and used to describe the ferromagnetic bonding of high-spin Li{sub 10} and Li{sub 8} clusters. The model associates the (lack of-)fitness of Heisenberg Hamiltonian with the degree of (de-)localization of the valence electrons in the cluster. It is shown that a regular Heisenberg Hamiltonian with four coupling constants cannot fully explain the energy of the different spin states. However, a more simple model in which electrons are located not at the position of the nuclei but at the position of the attractors of the electron localization function succeeds in explaining the energy spectrum and, at the same time, explains the ferromagnetic bond found by Shaik using arguments of valence bond theory. In this way, two different points of view, one more often used in physics, the Heisenberg model, and the other in chemistry, valence bond, come to the same answer to explain those atypical bonds.
Sauter, Disa
This PhD is an investigation of vocal expressions of emotions, mainly focusing on non-verbal sounds such as laughter, cries and sighs. The research examines the roles of categorical and dimensional factors, the contributions of a number of acoustic cues, and the influence of culture. A series of studies established that naive listeners can reliably identify non-verbal vocalisations of positive and negative emotions in forced-choice and rating tasks. Some evidence for underlying dimensions of arousal and valence is found, although each emotion had a discrete expression. The role of acoustic characteristics of the sounds is investigated experimentally and analytically. This work shows that the cues used to identify different emotions vary, although pitch and pitch variation play a central role. The cues used to identify emotions in non-verbal vocalisations differ from the cues used when comprehending speech. An additional set of studies using stimuli consisting of emotional speech demonstrates that these sounds can also be reliably identified, and rely on similar acoustic cues. A series of studies with a pre-literate Namibian tribe shows that non-verbal vocalisations can be recognized across cultures. An fMRI study carried out to investigate the neural processing of non-verbal vocalisations of emotions is presented. The results show activation in pre-motor regions arising from passive listening to non-verbal emotional vocalisations, suggesting neural auditory-motor interactions in the perception of these sounds. In sum, this thesis demonstrates that non-verbal vocalisations of emotions are reliably identifiable tokens of information that belong to discrete categories. These vocalisations are recognisable across vastly different cultures and thus seem to, like facial expressions of emotions, comprise human universals. Listeners rely mainly on pitch and pitch variation to identify emotions in non verbal vocalisations, which differs with the cues used to comprehend
Processing negative valence of word pairs that include a positive word.
Itkes, Oksana; Mashal, Nira
2016-09-01
Previous research has suggested that cognitive performance is interrupted by negative relative to neutral or positive stimuli. We examined whether negative valence affects performance at the word or phrase level. Participants performed a semantic decision task on word pairs that included either a negative or a positive target word. In Experiment 1, the valence of the target word was congruent with the overall valence conveyed by the word pair (e.g., fat kid). As expected, response times were slower in the negative condition relative to the positive condition. Experiment 2 included target words that were incongruent with the overall valence of the word pair (e.g., fat salary). Response times were longer for word pairs whose overall valence was negative relative to positive, even though these word pairs included a positive word. Our findings support the Cognitive Primacy Hypothesis, according to which emotional valence is extracted after conceptual processing is complete.
Virtual Distance and Soundstage, and their Impacts on Experienced Emotional Valence
DEFF Research Database (Denmark)
Christensen, Justin
2015-01-01
stimuli should cause stronger valenced responses in the nearfield than at a distance. Thus, music experienced as being negatively valenced at a distance should be more negatively valenced in nearfield, and music that is experienced as having a positive valence at a distance should be more positively......Research from animal ethology and affective neuroscience suggest that a listener’s perceived distance from a signal source can alter their experienced emotional valence of the music. Furthermore, appraisal theories of emotion suggest that emotionally valenced responses will diverge according...... to the type of emotion presented. For these exploratory investigations, subjects listen to selected musical excerpts on speakers in combination with a tactile transducer attached to their chair. The listening sessions are recorded on EEG supported by subject feedback responses. My hypothesis is that musical...
Visuospatial asymmetries and emotional valence influence mental time travel.
Thomas, Nicole A; Takarangi, Melanie K T
2018-06-01
Spatial information is tightly intertwined with temporal and valence-based information. Namely, "past" is represented on the left, and "future" on the right, along a horizontal mental timeline. Similarly, right is associated with positive, whereas left is negative. We developed a novel task to examine the effects of emotional valence and temporal distance on mental representations of time. We compared positivity biases, where positive events are positioned closer to now, and right hemisphere emotion biases, where negative events are positioned to the left. When the entire life span was used, a positivity bias emerged; positive events were closer to now. When timeline length was reduced, positivity and right hemisphere emotion biases were consistent for past events. In contrast, positive and negative events were equidistant from now in the future condition, suggesting positivity and right hemisphere emotion biases opposed one another, leading events to be positioned at a similar distance. We then reversed the timeline by moving past to the right and future to the left. Positivity biases in the past condition were eliminated, and negative events were placed slightly closer to now in the future condition. We conclude that an underlying left-to-right mental representation of time is necessary for positivity biases to emerge for past events; however, our mental representations of future events are inconsistent with positivity biases. These findings point to an important difference in the way in which we represent the past and the future on our mental timeline. (PsycINFO Database Record (c) 2018 APA, all rights reserved).
The effects of colour and valence on news evaluation.
Kaspar, Kai; Grümmer, Melanie; Kießler, Antje; Neuß, Celina; Schröter, Franziska
2017-12-01
Research across different fields of psychology has reported effects of colour cues on a variety of cognitive processes. Especially, the colour red has been shown to have striking influences. In the context of media reception, however, colour effects have been widely neglected so far. This study made a first step in this direction by investigating the effects of the colour red (compared with blue and grey) on the way news articles are evaluated. Two types of news were framed by a coloured border while the valence of the news content additionally varied. Based on 369 participants who read and evaluated the news articles online, we observed effects for colour cues and news valence in the absence of an interaction effect, indicating that the colour red induced approach motivation. However, only the contrast between red and grey reached statistical significance, indicating that chromatic and achromatic colours may differ in their perceived visual saliency. Overall, these results provide an important complement to previous studies and have practical implications for media researchers and producers. © 2015 International Union of Psychological Science.
Neutron scattering studies of mixed-valence semiconductors
Energy Technology Data Exchange (ETDEWEB)
Mignot, J M [Laboratoire Leon Brillouin (LLB) - Centre d` Etudes de Saclay, 91 - Gif-sur-Yvette (France); Alekseev, P A [Kurchatov Institute, Moscow (Russian Federation)
1994-12-31
Neutron scattering experiments on the mixed-valence (MV) compounds SmB{sub 6} are reported. The inelastic magnetic response of SmB{sub 6} at T = 2 K, measured on a double-isotope single crystal,displays a strongly damped peak at 35 meV corresponding to the inter multiplet transition of Sm{sup 2+}. At lower energies ( h.{omega} {approx_equal} 14 meV), a narrow magnetic excitation is observed, with remarkable scattering-vector and temperature dependences of its intensity. This novel feature is discussed in terms of recent theoretical works describing the formation of an anisotropic local bound state in semiconducting MV materials. If the average samarium valence is decreased by substituting La for Sm, a peak is found to appear at high energies. The elastic magnetic form factor of SmB{sub 6} was determined using polarised neutrons and no significant difference is observed in its Q-dependence with respect to that of pure divalent samarium. This surprising behaviour is constant with previous measurements on the gold (high-pressure) phase of SmS. The above results are compared to those already reported for other MV materials. In particular existing information for TmSe is supplemented by recent inelastic scattering measurements carried out on a large stoichiometric single crystal. (author). 44 refs., 7 figs.
Relative Contribution of Odour Intensity and Valence to Moral Decisions.
Cecchetto, Cinzia; Rumiati, Raffaella Ida; Parma, Valentina
2017-01-01
Meta-analytic evidence showed that the chemical senses affect moral decisions. However, how odours impact on morality is currently unclear. Through a set of three studies, we assess whether and how odour intensity biases moral choices (Study 1a), its psychophysiological responses (Study 1b), as well as the behavioural and psychophysiological effects of odour valence on moral choices (Study 2). Study 1a suggests that the presence of an odour plays a role in shaping moral choice. Study 1b reveals that of two iso-pleasant versions of the same neutral odour, only the one presented sub-threshold (vs. supra-threshold) favours deontological moral choices, those based on the principle of not harming others even when such harm provides benefits. As expected, this odour intensity effect is tracked by skin conductance responses, whereas no difference in cardiac activity - proxy for the valence dimension - is revealed. Study 2 suggests that the same neutral odour presented sub-threshold increases deontological choices even when compared to iso-intense ambiguous odour, perceived as pleasant or unpleasant by half of the participants, respectively. Skin conductance responses, as expected, track odour pleasantness, but cardiac activity fails to do so. Results are discussed in the context of mechanisms alternative to disgust induction underlying moral choices.
Affective picture modulation: valence, arousal, attention allocation and motivational significance.
Leite, Jorge; Carvalho, Sandra; Galdo-Alvarez, Santiago; Alves, Jorge; Sampaio, Adriana; Gonçalves, Oscar F
2012-03-01
The present study analyses the modulatory effects of affective pictures in the early posterior negativity (EPN), the late positive potential (LPP) and the human startle response on both the peripheral (eye blink EMG) and central neurophysiological levels (Probe P3), during passive affective pictures viewing. The affective pictures categories were balanced in terms of valence (pleasant; unpleasant) and arousal (high; low). The data shows that EPN may be sensitive to specific stimulus characteristics (affective relevant pictures versus neutral pictures) associated with early stages of attentional processing. In later stages, the heightened attentional resource allocation as well as the motivated significance of the affective stimuli was found to elicit enhanced amplitudes of slow wave processes thought to be related to enhanced encoding, namely LPP,. Although pleasant low arousing pictures were effective in engaging the resources involved in the slow wave processes, the highly arousing affective stimuli (pleasant and unpleasant) were found to produce the largest enhancement of the LPP, suggesting that high arousing stimuli may are associated with increased motivational significance. Additionally the response to high arousing stimuli may be suggestive of increased motivational attention, given the heightened attentional allocation, as expressed in the P3 probe, especially for the pleasant pictures. The hedonic valence may then serve as a mediator of the attentional inhibition to the affective priming, potentiating or inhibiting a shift towards defensive activation, as measured by the startle reflex. Copyright © 2011 Elsevier B.V. All rights reserved.
Relaxation and cross section effects in valence band photoemission spectroscopy
International Nuclear Information System (INIS)
McFeely, F.R.
1976-09-01
Various problems relating to the interpretation of valence band x-ray photoemission (XPS) spectra of solids are discussed. The experiments and calculations reported herein deal with the following questions: (1) To what extent do many-body effects manifest themselves in an XPS valence band spectrum, and thus invalidate a direct comparison between the photoemission energy distribution, I(E), and the density of states, N(E), calculated on the basis of ground-state one-electron theory. (2) The effect of the binding-energy-dependent photoemission cross section on I(E) at XPS energies. (3) In favorable cases indicated by (1) and (2) we examine the effect of the interaction of the crystal field with the apparent spin-orbit splittings of core levels observed in XPS spectra. (4) The use of tight binding band structure calculations to parameterize the electronic band structure from XPS and other data is described. (5) The use of high energy angle-resolved photoemission on oriented single crystals to gain orbital symmetry information is discussed. (6) The evolution of the shape of the photoemission energy distribution (of polycrystalline Cu) as a function of photon energy from 50 less than or equal h ω less than or equal 175 is discussed
Solvent extraction of irradiated neptunium targets. I. Valence stabilization
International Nuclear Information System (INIS)
Thompson, G.H.; Thompson, M.C.
1977-01-01
Solvent extraction of 237 Np and 238 Pu from irradiated neptunium is being investigated as a possible replacement for the currently used anion exchange process at the Savannah River Plant. Solvent extraction would reduce separations costs and waste volume and increase the production rate. The major difficulty in solvent extraction processing is maintaining neptunium and plutonium in the extractable IV or VI valence states during initial extraction. This study investigated the stability of these states. Results show that: The extractable M(IV) valence states of neptunium and plutonium are mutually unstable in plant dissolver solution (2 g/l 237 Np, 0.4 g/l 238 Pu, 1.2M Al 3+ , 4.6M NO 3 - , and 1M H + ). The reaction rates producing inextractable species from extractable M(IV) or M(VI) are fast enough that greater than or equal to 99.9 percent extractable species in 237 Np-- 238 Pu mixtures cannot be maintained for a practicable processing period
Valence band electronic structure of Pd based ternary chalcogenide superconductors
Energy Technology Data Exchange (ETDEWEB)
Lohani, H. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India); Mishra, P. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Goyal, R.; Awana, V.P.S. [National Physical Laboratory(CSIR), Dr. K. S. Krishnan Road, New Delhi 110012 (India); Sekhar, B.R., E-mail: sekhar@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India)
2016-12-15
Highlights: • VB Photoemission study and DFT calculations on Pd based ternary superconductors are presented. • Nb{sub 2}Pd{sub 0.95}S{sub 5} shows a temperature dependent pseudogap. • VB spectral features of ternary superconductors are correlated to their structural geometry. - Abstract: We present a comparative study of the valence band electronic structure of Pd based ternary chalcogenide superconductors Nb{sub 2}Pd{sub 0.95}S{sub 5}, Ta{sub 2}Pd{sub 0.97}S{sub 6} and Ta{sub 2}Pd{sub 0.97}Te{sub 6} using experimental photoemission spectroscopy and density functional based theoretical calculations. We observe a qualitatively similarity between valence band (VB) spectra of Nb{sub 2}Pd{sub 0.95}S{sub 5} and Ta{sub 2}Pd{sub 0.97}S{sub 6}. Further, we find a pseudogap feature in Nb{sub 2}Pd{sub 0.95}S{sub 5} at low temperature, unlike other two compounds. We have correlated the structural geometry with the differences in VB spectra of these compounds. The different atomic packing in these compounds could vary the strength of inter-orbital hybridization among various atoms which leads to difference in their electronic structure as clearly observed in our DOS calculations.
Valence holes observed in nanodiamonds dispersed in water
Petit, Tristan; Pflüger, Mika; Tolksdorf, Daniel; Xiao, Jie; Aziz, Emad F.
2015-02-01
Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed.Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed. Electronic supplementary information (ESI) available: Experimental methods, details on XAS/XES normalization and background correction procedures. See DOI: 10.1039/c4nr06639a
Valence control of cobalt oxide thin films by annealing atmosphere
Energy Technology Data Exchange (ETDEWEB)
Wang Shijing [School of Materials Science and Engineering, University of Science and Technology Beijing, No. 30 Xueyuan Road, Beijing 100083 (China); Zhang Boping, E-mail: bpzhang@ustb.edu.cn [School of Materials Science and Engineering, University of Science and Technology Beijing, No. 30 Xueyuan Road, Beijing 100083 (China); Zhao Cuihua; Li Songjie; Zhang Meixia; Yan Liping [School of Materials Science and Engineering, University of Science and Technology Beijing, No. 30 Xueyuan Road, Beijing 100083 (China)
2011-02-01
The cobalt oxide (CoO and Co{sub 3}O{sub 4}) thin films were successfully prepared using a spin-coating technique by a chemical solution method with CH{sub 3}OCH{sub 2}CH{sub 2}OH and Co(NO{sub 3}){sub 2}.6H{sub 2}O as starting materials. The grayish cobalt oxide films had uniform crystalline grains with less than 50 nm in diameter. The phase structure is able to tailor by controlling the annealing atmosphere and temperature, in which Co{sub 3}O{sub 4} thin film was obtained by annealing in air at 300-600, and N{sub 2} at 300, and transferred to CoO thin film by raising annealing temperature in N{sub 2}. The fitted X-ray photoelectron spectroscopy (XPS) spectra of the Co2p electrons are distinguishable from different valence states of cobalt oxide especially for their satellite structure. The valence control of cobalt oxide thin films by annealing atmosphere contributes to the tailored optical absorption property.
Pion and kaon valence-quark parton quasidistributions
Xu, Shu-Sheng; Chang, Lei; Roberts, Craig D.; Zong, Hong-Shi
2018-05-01
Algebraic Ansätze for the Poincaré-covariant Bethe-Salpeter wave functions of the pion and kaon are used to calculate their light-front wave functions, parton distribution amplitudes, parton quasidistribution amplitudes, valence parton distribution functions, and parton quasidistribution functions (PqDFs). The light-front wave functions are broad, concave functions, and the scale of flavor-symmetry violation in the kaon is roughly 15%, being set by the ratio of emergent masses in the s - and u -quark sectors. Parton quasidistribution amplitudes computed with longitudinal momentum Pz=1.75 GeV provide a semiquantitatively accurate representation of the objective parton distribution amplitude, but even with Pz=3 GeV , they cannot provide information about this amplitude's end point behavior. On the valence-quark domain, similar outcomes characterize PqDFs. In this connection, however, the ratio of kaon-to-pion u -quark PqDFs is found to provide a good approximation to the true parton distribution function ratio on 0.4 ≲x ≲0.8 , suggesting that with existing resources computations of ratios of parton quasidistributions can yield results that support empirical comparison.
Directory of Open Access Journals (Sweden)
Yibin Mu
2013-07-01
Full Text Available African bond markets have been steadily growing in recent years, but nonetheless remain undeveloped. African countries would benefit from greater access to financing and deeper financial markets. This paper compiles a unique set of data on government securities and corporate bond markets in Africa. It then applies an econometric model to analyze the key determinants of African government securities market and corporate bond market capitalization. Government securities market capitalization is directly related to better institutions and interest rate volatility, and inversely related to smaller fiscal deficits, higher interest rate spreads, exchange rate volatility, and current and capital account openness. Corporate bond market capitalization is directly linked to economic size, the level of development of the economy and financial markets, better institutions, and interest rate volatility, and inversely related to higher interest rate spreads and current account openness. Policy implications follow.
Developmental Reversals in False Memory: Effects of Emotional Valence and Arousal
Brainerd, C. J.; Holliday, R. E.; Reyna, V. F.; Yang, Y.; Toglia, M. P.
2010-01-01
Do the emotional valence and arousal of events distort children’s memories? Do valence and arousal modulate counterintuitive age increases in false memory? We investigated those questions in children, adolescents, and adults using the Cornell/Cortland Emotion Lists, a word list pool that induces false memories and in which valence and arousal can be manipulated factorially. False memories increased with age for unpresented semantic associates of word lists, and net accuracy (the ratio of true...
In-medium pion valence distributions in a light-front model
Energy Technology Data Exchange (ETDEWEB)
Melo, J.P.B.C. de, E-mail: joao.mello@cruzeirodosul.edu.br [Laboratório de Física Teórica e Computacional – LFTC, Universidade Cruzeiro do Sul, 01506-000 São Paulo (Brazil); Tsushima, K. [Laboratório de Física Teórica e Computacional – LFTC, Universidade Cruzeiro do Sul, 01506-000 São Paulo (Brazil); Ahmed, I. [Laboratório de Física Teórica e Computacional – LFTC, Universidade Cruzeiro do Sul, 01506-000 São Paulo (Brazil); National Center for Physics, Quaidi-i-Azam University Campus, Islamabad 45320 (Pakistan)
2017-03-10
Pion valence distributions in nuclear medium and vacuum are studied in a light-front constituent quark model. The in-medium input for studying the pion properties is calculated by the quark-meson coupling model. We find that the in-medium pion valence distribution, as well as the in-medium pion valence wave function, are substantially modified at normal nuclear matter density, due to the reduction in the pion decay constant.
Ramm, Peter; Taklo, Maaike M V
2011-01-01
Written by an author and editor team from microsystems companies and industry-near research organizations, this handbook and reference presents dependable, first-hand information on bonding technologies.In the first part, researchers from companies and institutions around the world discuss the most reliable and reproducible technologies for the production of bonded wafers. The second part is devoted to current and emerging applications, including microresonators, biosensors and precise measuring devices.
International Nuclear Information System (INIS)
Peters, R.D.
1978-01-01
The applications of diffusion bonding at the General Electric Neutron Devices Department are briefly discussed, with particular emphasis on the gold/gold or gold/indium joints made between metallized alumina ceramic parts in the vacuum switch tube and the crystal resonator programs. Fixtures which use the differential expansion of dissimilar metals are described and compared to one that uses hydraulic pressure to apply the necessary bonding force
Valence electron structure and properties of stabilized ZrO2
Institute of Scientific and Technical Information of China (English)
2008-01-01
To reveal the properties of stabilizers in ZrO2 on nanoscopic levels, the valence electron structures of four stable ZrO2 phases and c-ZrO2 were analyzed on the basis of the empirical electron theory of solids and molecules. The results showed that the hybridization levels of Zr atoms in c-ZrO2 doped with Ca and Mg dropped from B17 to B13, the hybridization levels of Zr atoms in c-ZrO2 doped with Y and Ce dropped from B17 to B15, and that the four stabilizing atoms all made the hybridization levels of O atoms drop from level 4 to level 2. The numbers of covalent electrons in the strongest covalent bond in the descending order are c-ZrO2>Zr0.82Ce0.18O2> Zr0.82Y0.18O1.91>Zr0.82Mg0.18O1.82>Zr0.82Ca0.18O1.82. The bond energies of the strongest covalent bond and the melting points of the solid solutions in the descending order are Zr0.82Ce0.18O2> c-ZrO2>Zr0.82Y0.18O1.91>Zr0.82Mg0.18O1.82>Zr0.82Ca0.18O1.82. The percent-ages of the total number of covalent electrons in the descending order are c-ZrO2>Zr0.82Y0.18O1.91> Zr0.82Ce0.18O2>Zr0.82Mg0.18O1.82> Zr0.82Ca0.18O1.82. From the above analysis, it can be concluded that the stabilizing degrees of the four stabilizers in the descending order are CaO> MgO>Y2O3>CeO2.
Sum Rules, Classical and Quantum - A Pedagogical Approach
Karstens, William; Smith, David Y.
2014-03-01
Sum rules in the form of integrals over the response of a system to an external probe provide general analytical tools for both experiment and theory. For example, the celebrated f-sum rule gives a system's plasma frequency as an integral over the optical-dipole absorption spectrum regardless of the specific spectral distribution. Moreover, this rule underlies Smakula's equation for the number density of absorbers in a sample in terms of the area under their absorption bands. Commonly such rules are derived from quantum-mechanical commutation relations, but many are fundamentally classical (independent of ℏ) and so can be derived from more transparent mechanical models. We have exploited this to illustrate the fundamental role of inertia in the case of optical sum rules. Similar considerations apply to sum rules in many other branches of physics. Thus, the ``attenuation integral theorems'' of ac circuit theory reflect the ``inertial'' effect of Lenz's Law in inductors or the potential energy ``storage'' in capacitors. These considerations are closely related to the fact that the real and imaginary parts of a response function cannot be specified independently, a result that is encapsulated in the Kramers-Kronig relations. Supported in part by the US Department of Energy, Office of Nuclear Physics under contract DE-AC02-06CH11357.
Coincidence summing corrections for positron emitters in germanium gamma spectrometry
International Nuclear Information System (INIS)
Richardson, A.E.; Sallee, W.W.; New Mexico State Univ., Las Cruces
1990-01-01
For positron emitters, 511 keV annihilation quanta are in coincidence with other gamma rays in the decay scheme. If the positrons are not localized at the point of decay, annihilation quanta will be produced at a site some distance from the point of emission. The magnitude of the summing coincidence effect will depend upon the position of annihilation. A method for determining the magnitude of the summing effect for a single gamma of energy E in coincidence with the annihilation gammas from non-localized positrons has been developed which makes use of the counting data for the full energy peaks for both the gamma ray (E) and the 511 keV annihilation gammas. With this data and efficiency calibration data one can determine the average total efficiency for the annihilation positions from which 511 keV gammas originate, and thereby obtain the summing correction factor, SCF, for gamma ray (E). Application of the method to a 22 Na NIST standard gave excellent agreement of observed emission rates for the 1275 keV gamma with the NIST value for wide ranging degrees of positron localization having summing correction factors ranging from 1.021 to 1.505. The method was also applied successfully to 58 Co in neutron-irradiated nickel foils. The method shows promise as a check on the accuracy of the efficiency calibration for a particular detector geometry at the 511 keV energy and energies for other gammas associated with positron emission. (orig.)
TAIL ASYMPTOTICS OF LIGHT-TAILED WEIBULL-LIKE SUMS
DEFF Research Database (Denmark)
Asmussen, Soren; Hashorva, Enkelejd; Laub, Patrick J.
2017-01-01
We consider sums of n i.i.d. random variables with tails close to exp{-x(beta)} for some beta > 1. Asymptotics developed by Rootzen (1987) and Balkema, Kluppelberg, and Resnick (1993) are discussed from the point of view of tails rather than of densities, using a somewhat different angle...
Numerical Radius Inequalities for Finite Sums of Operators
Directory of Open Access Journals (Sweden)
Mirmostafaee Alireza Kamel
2014-12-01
Full Text Available In this paper, we obtain some sharp inequalities for numerical radius of finite sums of operators. Moreover, we give some applications of our result in estimation of spectral radius. We also compare our results with some known results.
Standardization of I-125. Sum-Peak Coincidence Counting
International Nuclear Information System (INIS)
Grau Carles, A.; Grau Malonda, A.
2011-01-01
I-125 is a nuclide which presents difficulties for standardization. The sum-peak method is one of the procedures used to standardize this radionuclide. Initially NaI (Tl)detectors and then the semiconductor detectors with higher resolution have been used.This paper describes the different methods based on the sum-peak procedure and the different expressions used to calculate the activity are deduced. We describe a general procedure for obtaining all of the above equations and many more. We analyze the influence of uncertainties in the used parameters in the uncertainty of the activity. We give a complete example of the transmission of uncertainty and the effects of correlations in the uncertainty of the activity of the sample. High-resolution spectra show an unresolved doublet of 62.0 keV and 62.8 keV. The paper presents two approaches to solve this problem. One is based on the calculation of area ratio and the sum of peak areas obtained from atomic and nuclear data, in the other we modify the equations so that the sum of the peak areas doublet, rather than its components, is present. (Author) 19 refs.
Root and critical point behaviors of certain sums of polynomials
Indian Academy of Sciences (India)
Seon-Hong Kim
2018-04-24
Apr 24, 2018 ... Root and critical point behaviors of certain sums of polynomials. SEON-HONG KIM1,∗. , SUNG YOON KIM2, TAE HYUNG KIM2 and SANGHEON LEE2. 1Department of Mathematics, Sookmyung Women's University, Seoul 140-742, Korea. 2Gyeonggi Science High School, Suwon 440-800, Korea.
A Critique of Zero-sum Games and Palliative Economics
African Journals Online (AJOL)
Africa's economic growth and dependence since independence has been characterised by a zero-sum economic interaction with the West. This was no more than a continuation of the Centre-Periphery relationship that existed during colonial times. The result of the zerosum game interaction between Africa and the West ...
Counter-ions at single charged wall: Sum rules.
Samaj, Ladislav
2013-09-01
For inhomogeneous classical Coulomb fluids in thermal equilibrium, like the jellium or the two-component Coulomb gas, there exists a variety of exact sum rules which relate the particle one-body and two-body densities. The necessary condition for these sum rules is that the Coulomb fluid possesses good screening properties, i.e. the particle correlation functions or the averaged charge inhomogeneity, say close to a wall, exhibit a short-range (usually exponential) decay. In this work, we study equilibrium statistical mechanics of an electric double layer with counter-ions only, i.e. a globally neutral system of equally charged point-like particles in the vicinity of a plain hard wall carrying a fixed uniform surface charge density of opposite sign. At large distances from the wall, the one-body and two-body counter-ion densities go to zero slowly according to the inverse-power law. In spite of the absence of screening, all known sum rules are shown to hold for two exactly solvable cases of the present system: in the weak-coupling Poisson-Boltzmann limit (in any spatial dimension larger than one) and at a special free-fermion coupling constant in two dimensions. This fact indicates an extended validity of the sum rules and provides a consistency check for reasonable theoretical approaches.