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Sample records for nuclear wave functions

  1. Factorized molecular wave functions: Analysis of the nuclear factor

    SciTech Connect

    Lefebvre, R.

    2015-06-07

    The exact factorization of molecular wave functions leads to nuclear factors which should be nodeless functions. We reconsider the case of vibrational perturbations in a diatomic species, a situation usually treated by combining Born-Oppenheimer products. It was shown [R. Lefebvre, J. Chem. Phys. 142, 074106 (2015)] that it is possible to derive, from the solutions of coupled equations, the form of the factorized function. By increasing artificially the interstate coupling in the usual approach, the adiabatic regime can be reached, whereby the wave function can be reduced to a single product. The nuclear factor of this product is determined by the lowest of the two potentials obtained by diagonalization of the potential matrix. By comparison with the nuclear wave function of the factorized scheme, it is shown that by a simple rectification, an agreement is obtained between the modified nodeless function and that of the adiabatic scheme.

  2. Spin-orbit decomposition of ab initio nuclear wave functions

    NASA Astrophysics Data System (ADS)

    Johnson, Calvin W.

    2015-03-01

    Although the modern shell-model picture of atomic nuclei is built from single-particle orbits with good total angular momentum j , leading to j -j coupling, decades ago phenomenological models suggested that a simpler picture for 0 p -shell nuclides can be realized via coupling of the total spin S and total orbital angular momentum L . I revisit this idea with large-basis, no-core shell-model calculations using modern ab initio two-body interactions and dissect the resulting wave functions into their component L - and S -components. Remarkably, there is broad agreement with calculations using the phenomenological Cohen-Kurath forces, despite a gap of nearly 50 years and six orders of magnitude in basis dimensions. I suggest that L -S decomposition may be a useful tool for analyzing ab initio wave functions of light nuclei, for example, in the case of rotational bands.

  3. The adiabatic limit of the exact factorization of the electron-nuclear wave function.

    PubMed

    Eich, F G; Agostini, Federica

    2016-08-01

    We propose a procedure to analyze the relation between the exact factorization of the electron-nuclear wave function and the Born-Oppenheimer approximation. We define the adiabatic limit as the limit of infinite nuclear mass. To this end, we introduce a unit system that singles out the dependence on the electron-nuclear mass ratio of each term appearing in the equations of the exact factorization. We observe how non-adiabatic effects induced by the coupling to the nuclear motion affect electronic properties and we analyze the leading term, connecting it to the classical nuclear momentum. Its dependence on the mass ratio is tested numerically on a model of proton-coupled electron transfer in different non-adiabatic regimes. PMID:27497542

  4. The adiabatic limit of the exact factorization of the electron-nuclear wave function

    NASA Astrophysics Data System (ADS)

    Eich, F. G.; Agostini, Federica

    2016-08-01

    We propose a procedure to analyze the relation between the exact factorization of the electron-nuclear wave function and the Born-Oppenheimer approximation. We define the adiabatic limit as the limit of infinite nuclear mass. To this end, we introduce a unit system that singles out the dependence on the electron-nuclear mass ratio of each term appearing in the equations of the exact factorization. We observe how non-adiabatic effects induced by the coupling to the nuclear motion affect electronic properties and we analyze the leading term, connecting it to the classical nuclear momentum. Its dependence on the mass ratio is tested numerically on a model of proton-coupled electron transfer in different non-adiabatic regimes.

  5. Bohmian mechanics in the exact factorization of electron-nuclear wave functions

    NASA Astrophysics Data System (ADS)

    Suzuki, Yasumitsu; Watanabe, Kazuyuki

    2016-09-01

    The exact factorization of an electron-nuclear wave function [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010), 10.1103/PhysRevLett.105.123002] allows us to define the rigorous nuclear time-dependent Schrödinger equation (TDSE) with a time-dependent potential-energy surface (TDPES) that fully accounts for the coupling to the electronic motion and drives the nuclear wave-packet dynamics. Here, we study whether the propagation of multiple classical trajectories can reproduce the quantum nuclear motion in strong-field processes when their motions are governed by the quantum Hamilton-Jacobi equation derived by applying Bohmian mechanics to this exact nuclear TDSE. We demonstrate that multiple classical trajectories propagated by the force from the gradient of the exact TDPES plus the Bohmian quantum potential can reproduce the strong-field dissociation dynamics of a one-dimensional model of the H2 + molecule. Our results show that the force from the Bohmian quantum potential plays a non-negligible role in yielding quantum nuclear dynamics in the strong-field process studied here, where ionization and/or splitting of nuclear probability density occurs.

  6. Short range structure of hadron and nuclear wave functions at high x

    SciTech Connect

    Hoyer, P.; Brodsky, S.J.

    1990-11-01

    We discuss the short-range structure of hadronic and nuclear wave functions expected in QCD. In addition to the extrinsic'' contributions associated with radiation from single partons, there is an intrinsic'' hardness of the high-mass fluctuations of the wave function due to the spatial overlap of two or more partons. We argue that intrinsically-hard partons, having large mass and/or large transverse momentum, will dominate in the region of large Feynman x{sub F}. Their rescattering in nuclear targets is expected to be larger than for extrinsically-hard partons, leading to a suppressed production cross section for hadrons scattering on heavy nuclei. Experimental evidence for this exists for open chars. J/{psi}, and {gamma} production at large x{sub F}. The effects of intrinsic hardness may be particularly striking in nuclear wave functions, where the overlap of partons belonging to different nucleons can give rise to cumulative (x > 1) phenomena. The data on backward cumulative particle production from nuclei supports the existence of an intrinsically-hard component in nuclear wave functions. Partons at large x{sub F} may also be associated with the enhanced subthreshold production of particles observed in hadron-nucleus and nucleus-nucleus collisions. We discuss the evidence for anomalies in the large angle pp {yields} pp cross section near the charm threshold. Arguments are presented that chromium states may bind to nuclei through the QCD Van der Waals force. This would lead to a striking signal in charm production near threshold. 49 refs., 7 figs.

  7. Wave-function functionals

    SciTech Connect

    Pan Xiaoyin; Slamet, Marlina; Sahni, Viraht

    2010-04-15

    We extend our prior work on the construction of variational wave functions {psi} that are functionals of functions {chi}:{psi}={psi}[{chi}] rather than simply being functions. In this manner, the space of variations is expanded over those of traditional variational wave functions. In this article we perform the constrained search over the functions {chi} chosen such that the functional {psi}[{chi}] satisfies simultaneously the constraints of normalization and the exact expectation value of an arbitrary single- or two-particle Hermitian operator, while also leading to a rigorous upper bound to the energy. As such the wave function functional is accurate not only in the region of space in which the principal contributions to the energy arise but also in the other region of the space represented by the Hermitian operator. To demonstrate the efficacy of these ideas, we apply such a constrained search to the ground state of the negative ion of atomic hydrogen H{sup -}, the helium atom He, and its positive ions Li{sup +} and Be{sup 2+}. The operators W whose expectations are obtained exactly are the sum of the single-particle operators W={Sigma}{sub i}r{sub i}{sup n},n=-2,-1,1,2, W={Sigma}{sub i{delta}}(r{sub i}), W=-(1/2){Sigma}{sub i{nabla}i}{sup 2}, and the two-particle operators W={Sigma}{sub n}u{sup n},n=-2,-1,1,2, where u=|r{sub i}-r{sub j}|. Comparisons with the method of Lagrangian multipliers and of other constructions of wave-function functionals are made. Finally, we present further insights into the construction of wave-function functionals by studying a previously proposed construction of functionals {psi}[{chi}] that lead to the exact expectation of arbitrary Hermitian operators. We discover that analogous to the solutions of the Schroedinger equation, there exist {psi}[{chi}] that are unphysical in that they lead to singular values for the expectations. We also explain the origin of the singularity.

  8. Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function

    SciTech Connect

    Scherrer, Arne; Agostini, Federica; Gross, E. K. U.; Sebastiani, Daniel; Vuilleumier, Rodolphe

    2015-08-21

    The nuclear velocity perturbation theory (NVPT) for vibrational circular dichroism (VCD) is derived from the exact factorization of the electron-nuclear wave function. This new formalism offers an exact starting point to include correction terms to the Born-Oppenheimer (BO) form of the molecular wave function, similar to the complete-adiabatic approximation. The corrections depend on a small parameter that, in a classical treatment of the nuclei, is identified as the nuclear velocity. Apart from proposing a rigorous basis for the NVPT, we show that the rotational strengths, related to the intensity of the VCD signal, contain a new contribution beyond-BO that can be evaluated with the NVPT and that only arises when the exact factorization approach is employed. Numerical results are presented for chiral and non-chiral systems to test the validity of the approach.

  9. Channel-Coupling Contribution to the Widths of Decay Nuclear States and to Their Wave Functions

    SciTech Connect

    Kadmensky, S.G.

    2004-12-01

    By using the formalism of the quantum theory of fission, the amplitudes of partial decay widths and the asymptotic behavior of the wave function for a decaying nucleus are found with allowance for open-decay-channel coupling not only for fission, but also for the binary decays of nuclei through protonic, alpha-particle, cluster, and other channels.

  10. Angstrom-Resolution Magnetic Resonance Imaging of Single Molecules via Wave-Function Fingerprints of Nuclear Spins

    NASA Astrophysics Data System (ADS)

    Ma, Wen-Long; Liu, Ren-Bao

    2016-08-01

    Single-molecule sensitivity of nuclear magnetic resonance (NMR) and angstrom resolution of magnetic resonance imaging (MRI) are the highest challenges in magnetic microscopy. Recent development in dynamical-decoupling- (DD) enhanced diamond quantum sensing has enabled single-nucleus NMR and nanoscale NMR. Similar to conventional NMR and MRI, current DD-based quantum sensing utilizes the "frequency fingerprints" of target nuclear spins. The frequency fingerprints by their nature cannot resolve different nuclear spins that have the same noise frequency or differentiate different types of correlations in nuclear-spin clusters, which limit the resolution of single-molecule MRI. Here we show that this limitation can be overcome by using "wave-function fingerprints" of target nuclear spins, which is much more sensitive than the frequency fingerprints to the weak hyperfine interaction between the targets and a sensor under resonant DD control. We demonstrate a scheme of angstrom-resolution MRI that is capable of counting and individually localizing single nuclear spins of the same frequency and characterizing the correlations in nuclear-spin clusters. A nitrogen-vacancy-center spin sensor near a diamond surface, provided that the coherence time is improved by surface engineering in the near future, may be employed to determine with angstrom resolution the positions and conformation of single molecules that are isotope labeled. The scheme in this work offers an approach to breaking the resolution limit set by the "frequency gradients" in conventional MRI and to reaching the angstrom-scale resolution.

  11. Wave-function frozen-density embedding: Approximate analytical nuclear ground-state gradients.

    PubMed

    Heuser, Johannes; Höfener, Sebastian

    2016-05-01

    We report the derivation of approximate analytical nuclear ground-state uncoupled frozen density embedding (FDEu) gradients for the resolution of identity (RI) variant of the second-order approximate coupled cluster singles and doubles (RICC2) as well as density functional theory (DFT), and an efficient implementation thereof in the KOALA program. In order to guarantee a computationally efficient treatment, those gradient terms are neglected which would require the exchange of orbital information. This approach allows for geometry optimizations of single molecules surrounded by numerous molecules with fixed nuclei at RICC2-in-RICC2, RICC2-in-DFT, and DFT-in-DFT FDE level of theory using a dispersion correction, required due to the DFT-based treatment of the interaction in FDE theory. Accuracy and applicability are assessed by the example of two case studies: (a) the Watson-Crick pair adenine-thymine, for which the optimized structures exhibit a maximum error of about 0.08 Å for our best scheme compared to supermolecular reference calculations, (b) carbon monoxide on a magnesium oxide surface model, for which the error amount up to 0.1 Å for our best scheme. Efficiency is demonstrated by successively including environment molecules and comparing to an optimized conventional supermolecular implementation, showing that the method is able to outperform conventional RICC2 schemes already with a rather small number of environment molecules, gaining significant speed up in computation time. PMID:26804310

  12. Factorization and recomposition of molecular wave functions

    NASA Astrophysics Data System (ADS)

    Lefebvre, R.

    2016-09-01

    Some situations in the determination of molecular wave functions require to go beyond the Born-Oppenheimer (BO) approximation, with the wave function written as the product of an electronic wave function depending parametrically on the nuclear coordinates and a nuclear wave function. Such situations are usually treated by combining BO products. This form of the wave function leads to coupled equations which determine the nuclear factors of these products. There is another possibility: writing the exact molecular wave function as a single product having formally the same structure as a BO product. This approach has been at the origin of recent developments. We reconsider this problem with the aim of looking at the solutions of the coupled equations which determine the electronic factor of the factorization scheme. It is shown that these coupled equations can be reduced precisely to those encountered with the usual combination of diabatic BO products.

  13. Adaptive multiconfigurational wave functions

    SciTech Connect

    Evangelista, Francesco A.

    2014-03-28

    A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff Λ. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than Λ. The resulting Λ-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (Λ+SD-CI), which is based on a small Λ-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build Λ-CI wave functions. The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The Λ-CI and Λ+SD-CI approaches are used to compute the dissociation curve of N{sub 2} and the potential energy curves for the first three singlet states of C{sub 2}. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the Λ-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu{sub 2}O{sub 2}{sup 2+} core, illustrates an alternative use of the Λ-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.

  14. Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct propagation of the nuclear wave function

    NASA Astrophysics Data System (ADS)

    Kowalewski, Markus; Mukamel, Shaul

    2015-07-01

    Femtosecond Stimulated Raman Spectroscopy (FSRS) signals that monitor the excited state conical intersections dynamics of acrolein are simulated. An effective time dependent Hamiltonian for two C—H vibrational marker bands is constructed on the fly using a local mode expansion combined with a semi-classical surface hopping simulation protocol. The signals are obtained by a direct forward and backward propagation of the vibrational wave function on a numerical grid. Earlier work is extended to fully incorporate the anharmonicities and intermode couplings.

  15. Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct propagation of the nuclear wave function

    SciTech Connect

    Kowalewski, Markus Mukamel, Shaul

    2015-07-28

    Femtosecond Stimulated Raman Spectroscopy (FSRS) signals that monitor the excited state conical intersections dynamics of acrolein are simulated. An effective time dependent Hamiltonian for two C—H vibrational marker bands is constructed on the fly using a local mode expansion combined with a semi-classical surface hopping simulation protocol. The signals are obtained by a direct forward and backward propagation of the vibrational wave function on a numerical grid. Earlier work is extended to fully incorporate the anharmonicities and intermode couplings.

  16. Evanescent Waves Nuclear Magnetic Resonance

    PubMed Central

    Halidi, El Mohamed; Nativel, Eric; Akel, Mohamad; Kenouche, Samir; Coillot, Christophe; Alibert, Eric; Jabakhanji, Bilal; Schimpf, Remy; Zanca, Michel; Stein, Paul; Goze-Bac, Christophe

    2016-01-01

    Nuclear Magnetic Resonance spectroscopy and imaging can be classified as inductive techniques working in the near- to far-field regimes. We investigate an alternative capacitive detection with the use of micrometer sized probes positioned at sub wavelength distances of the sample in order to characterize and model evanescent electromagnetic fields originating from NMR phenomenon. We report that in this experimental configuration the available NMR signal is one order of magnitude larger and follows an exponential decay inversely proportional to the size of the emitters. Those investigations open a new road to a better understanding of the evanescent waves component in NMR with the opportunity to perform localized spectroscopy and imaging. PMID:26751800

  17. Evanescent Waves Nuclear Magnetic Resonance.

    PubMed

    Halidi, El Mohamed; Nativel, Eric; Akel, Mohamad; Kenouche, Samir; Coillot, Christophe; Alibert, Eric; Jabakhanji, Bilal; Schimpf, Remy; Zanca, Michel; Stein, Paul; Goze-Bac, Christophe

    2016-01-01

    Nuclear Magnetic Resonance spectroscopy and imaging can be classified as inductive techniques working in the near- to far-field regimes. We investigate an alternative capacitive detection with the use of micrometer sized probes positioned at sub wavelength distances of the sample in order to characterize and model evanescent electromagnetic fields originating from NMR phenomenon. We report that in this experimental configuration the available NMR signal is one order of magnitude larger and follows an exponential decay inversely proportional to the size of the emitters. Those investigations open a new road to a better understanding of the evanescent waves component in NMR with the opportunity to perform localized spectroscopy and imaging.

  18. On single nucleon wave functions in nuclei

    SciTech Connect

    Talmi, Igal

    2011-05-06

    The strong and singular interaction between nucleons, makes the nuclear many body theory very complicated. Still, nuclei exhibit simple and regular features which are simply described by the shell model. Wave functions of individual nucleons may be considered just as model wave functions which bear little resemblance to the real ones. There is, however, experimental evidence for the reality of single nucleon wave functions. There is a simple method of constructing such wave functions for valence nucleons. It is shown that this method can be improved by considering the polarization of the core by the valence nucleon. This gives rise to some rearrangement energy which affects the single valence nucleon energy within the nucleus.

  19. Photoelectron wave function in photoionization: plane wave or Coulomb wave?

    PubMed

    Gozem, Samer; Gunina, Anastasia O; Ichino, Takatoshi; Osborn, David L; Stanton, John F; Krylov, Anna I

    2015-11-19

    The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectron wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. The results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion.

  20. Photoelectron wave function in photoionization: plane wave or Coulomb wave?

    PubMed

    Gozem, Samer; Gunina, Anastasia O; Ichino, Takatoshi; Osborn, David L; Stanton, John F; Krylov, Anna I

    2015-11-19

    The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectron wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. The results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion. PMID:26509428

  1. Nuclear Parton Distribution Functions

    SciTech Connect

    I. Schienbein, J.Y. Yu, C. Keppel, J.G. Morfin, F. Olness, J.F. Owens

    2009-06-01

    We study nuclear effects of charged current deep inelastic neutrino-iron scattering in the framework of a {chi}{sup 2} analysis of parton distribution functions (PDFs). We extract a set of iron PDFs which are used to compute x{sub Bj}-dependent and Q{sup 2}-dependent nuclear correction factors for iron structure functions which are required in global analyses of free nucleon PDFs. We compare our results with nuclear correction factors from neutrino-nucleus scattering models and correction factors for charged-lepton--iron scattering. We find that, except for very high x{sub Bj}, our correction factors differ in both shape and magnitude from the correction factors of the models and charged-lepton scattering.

  2. Nuclear functions of prefoldin

    PubMed Central

    Millán-Zambrano, Gonzalo; Chávez, Sebastián

    2014-01-01

    Prefoldin is a cochaperone, present in all eukaryotes, that cooperates with the chaperonin CCT. It is known mainly for its functional relevance in the cytoplasmic folding of actin and tubulin monomers during cytoskeleton assembly. However, both canonical and prefoldin-like subunits of this heterohexameric complex have also been found in the nucleus, and are functionally connected with nuclear processes in yeast and metazoa. Plant prefoldin has also been detected in the nucleus and physically associated with a gene regulator. In this review, we summarize the information available on the involvement of prefoldin in nuclear phenomena, place special emphasis on gene transcription, and discuss the possibility of a global coordination between gene regulation and cytoplasmic dynamics mediated by prefoldin. PMID:25008233

  3. Many-body wave functions

    SciTech Connect

    Chasman, R.R.

    1995-08-01

    In the past few years, we developed many-body variational wave functions that allow one to treat pairing and particle-hole two-body interactions on an equal footing. The complexity of these wave functions depends on the number of levels included in the valence space, but does not depend on the number of nucleons in the system. By using residual interaction strengths (e.g. the quadrupole interaction strength or pairing interaction strength) as generator coordinates, one gets many different wave functions, each having a different expectation value for the relevant interaction mode. These wave functions are particularly useful when one is dealing with a situation in which the mean-field approximation is inadequate. Because the same basis states are used in the construction of the many-body wave functions, it is possible to calculate overlaps and interaction matrix elements for the many-body wave functions (which are not in general orthogonal) easily. The valence space can contain a large number of single-particle basis states, when there are constants of motion that can be used to break the levels up into groups. We added a cranking term to the many-body Hamiltonian and modified the projection procedure to get states of good signature before variation. In our present implementation, each group is limited to eight pairs of single-particle levels. We are working on ways of increasing the number of levels that can be included in each group. We are also working on including particle-particle residual interaction modes, in addition to pairing, in our Hamiltonian.

  4. Wave-function functionals for the density

    SciTech Connect

    Slamet, Marlina; Pan Xiaoyin; Sahni, Viraht

    2011-11-15

    We extend the idea of the constrained-search variational method for the construction of wave-function functionals {psi}[{chi}] of functions {chi}. The search is constrained to those functions {chi} such that {psi}[{chi}] reproduces the density {rho}(r) while simultaneously leading to an upper bound to the energy. The functionals are thereby normalized and automatically satisfy the electron-nucleus coalescence condition. The functionals {psi}[{chi}] are also constructed to satisfy the electron-electron coalescence condition. The method is applied to the ground state of the helium atom to construct functionals {psi}[{chi}] that reproduce the density as given by the Kinoshita correlated wave function. The expectation of single-particle operators W={Sigma}{sub i}r{sub i}{sup n}, n=-2,-1,1,2, W={Sigma}{sub i}{delta}(r{sub i}) are exact, as must be the case. The expectations of the kinetic energy operator W=-(1/2){Sigma}{sub i}{nabla}{sub i}{sup 2}, the two-particle operators W={Sigma}{sub n}u{sup n}, n=-2,-1,1,2, where u=|r{sub i}-r{sub j}|, and the energy are accurate. We note that the construction of such functionals {psi}[{chi}] is an application of the Levy-Lieb constrained-search definition of density functional theory. It is thereby possible to rigorously determine which functional {psi}[{chi}] is closer to the true wave function.

  5. Generation of Gravitational Waves with Nuclear Reactions

    NASA Astrophysics Data System (ADS)

    Fontana, Giorgio; Baker, Robert M. L.

    2006-01-01

    The problem of efficient generation of High Frequency Gravitational Waves (HFGWs) and pulses of Gravitational Radiation might find a reasonably simple solution by employing nuclear matter, especially isomers. A fissioning isomer not only rotates at extremely high frequency (~ 3.03×1024 s-1), but is also highly deformed in the first stages of fission (the nucleus is rotating and made asymmetric ``before'' fission). Thus one achieves significant impulsive forces (e.g., 3.67×108 N) acting over extremely short time spans (e.g., 3.3×10-22 s). Alternatively, a pulsed particle beam, which could include antimatter, could trigger nuclear reactions and build up a coherent GW as the particles move through a target mass. The usual difficulty with HFGWs generated by nuclear reactions is the small dimensions of their nuclear-reaction volumes, that is, the small moment of inertia and submicroscopic radii of gyration (e.g., 10-16 m) of the nuclear-mass system. Such a difficulty is overcome by utilizing clusters of nuclear material, whose nuclear reactions are in synchronization (through the use of a computer controlled logic system) and are at a large distance apart, e.g., meters, kilometers, etc. The effective radius of gyration of the overall nuclear mass system is enormous and if the quadrupole formalism holds even approximately, then significant HFGW is generated, for example up to 8.5×1010 W to 1.64×1025 W bursts for the transient asymmetrical spinning nucleus case. In this preliminary analysis, possible conceptual designs of reactors suitable for the generation of HFGWs are discussed as well as applications to space technology. In an optimized dual-beam design, GW amplitudes on the order of A ~ 0.005 are theoretically achieved in the laboratory, which might have interesting general-relativity and nuclear-physics consequences.

  6. Clustering aspects in nuclear structure functions

    SciTech Connect

    Hirai, M.; Saito, K.; Watanabe, T.; Kumano, S.

    2011-03-15

    For understanding an anomalous nuclear effect experimentally observed for the beryllium-9 nucleus at the Thomas Jefferson National Accelerator Facility, clustering aspects are studied in structure functions of deep inelastic lepton-nucleus scattering by using momentum distributions calculated in antisymmetrized (or fermionic) molecular dynamics (AMD) and also in a simple shell model for comparison. According to AMD, the {sup 9}Be nucleus consists of two {alpha}-like clusters with a surrounding neutron. The clustering produces high-momentum components in nuclear wave functions, which affects nuclear modifications of the structure functions. We investigated whether clustering features could appear in the structure function F{sub 2} of {sup 9}Be along with studies for other light nuclei. We found that nuclear modifications of F{sub 2} are similar in both AMD and shell models within our simple convolution description although there are slight differences in {sup 9}Be. It indicates that the anomalous {sup 9}Be result should be explained by a different mechanism from the nuclear binding and Fermi motion. If nuclear-modification slopes d(F{sub 2}{sup A}/F{sub 2}{sup D})/dx are shown by the maximum local densities, the {sup 9}Be anomaly can be explained by the AMD picture, namely by the clustering structure, whereas it certainly cannot be described in the simple shell model. This fact suggests that the large nuclear modification in {sup 9}Be should be explained by large densities in the clusters. For example, internal nucleon structure could be modified in the high-density clusters. The clustering aspect of nuclear structure functions is an unexplored topic which is interesting for future investigations.

  7. Nuclear overlap functions

    SciTech Connect

    Eskola, K.J.; Vogt, R.; Wang, X.N.

    1995-07-01

    A three parameter Wood-Saxon shape is used to describe the nuclear density distribution, which R{sub A} is the nuclear radius, {approx} is the surface thickness, and {omega} allows for central irregularities. The electron scattering data is used where available for R{sub A}, z, and {omega}. When data is unavailable, the parameters {omega} = O, z = 0.54 fm and R{sub A} = 1.19 A{sup 1/3} - 1.61 A{sup -1/3} fm are used. The central density {rho}{sub 0} is found from the normalization {infinity} d{sup 3}r{rho}{sub A}(r) = A.

  8. Green's Functions of Wave Equations in

    NASA Astrophysics Data System (ADS)

    Deng, Shijin; Wang, Weike; Yu, Shih-Hsien

    2015-06-01

    We study the d'Alembert equation with a boundary. We introduce the notions of Rayleigh surface wave operators, delayed/advanced mirror images, wave recombinations, and wave cancellations. This allows us to obtain the complete and simple formula of the Green's functions for the wave equation with the presence of various boundary conditions. We are able to determine whether a Rayleigh surface wave is active or virtual, and study the lacunas of the wave equation in three dimensional with the presence of a boundary in the case of a virtual Rayleigh surface wave.

  9. Universality of nucleon-nucleon short-range correlations: The factorization property of the nuclear wave function, the relative and center-of-mass momentum distributions, and the nuclear contacts

    NASA Astrophysics Data System (ADS)

    Alvioli, M.; Ciofi degli Atti, C.; Morita, H.

    2016-10-01

    Background: The two-nucleon momentum distributions of nucleons N1 and N2 in a nucleus A , nAN1N2(krel,Kc .m .) , is a relevant quantity that determines the probability of finding two nucleons with relative momentum krel and center-of-mass (c.m.) momentum Kc .m .; at high values of the relative momentum and, at the same time, low values of the c.m. momentum, nAN1N2(krel,Kc .m .) provides information on the short-range structure of nuclei. Purpose: Our purpose is to calculate the momentum distributions of proton-neutron and proton-proton pairs in 3He, 4He, 12C, 16O, and 40Ca, in correspondence to various values of krel and Kc .m .. Methods: The momentum distributions for A >4 nuclei are calculated as a function of the relative, krel, and center-of-mass, Kc.m., momenta and relative angle Θ , within a linked cluster many-body expansion approach, based upon realistic local two-nucleon interaction of the Argonne family and variational wave functions featuring central, tensor, and spin-isospin correlations. Results: Independently of the mass number A , at values of the relative momentum krel≳1.5 -2 fm-1 the momentum distributions exhibit the property of factorization, nAN1N2(krel,Kc .m .) ≃nrelN1N2(krel) nc.m . N1N2(Kc .m .) ; in particular, for p n back-to-back pairs one has nAp n(krel,Kc .m .=0 ) ≃CAp nnD(krel) nc.m . p n(Kc .m .=0 ) , where nD is the deuteron momentum distribution, nc.m . p n(Kc .m .=0 ) the c.m. motion momentum distribution of the pair, and CAp n the p n nuclear contact measuring the number of back-to-back p n pairs with deuteron-like momenta (kp≃-kn,Kc .m .=0 ). Conclusions: The values of the p n nuclear contact are extracted from the general properties of the two-nucleon momentum distributions corresponding to Kc .m .=0 . The Kc .m .-integrated p n momentum distributions exhibit the property nAp n(krel) ≃CAp nnD(krel) but only at very high values of krel, ≳3.5 -4 fm-1. The theoretical ratio of the p p /p n momentum distributions of 4He

  10. Nuclear function of Alus

    PubMed Central

    Wang, Chen; Huang, Sui

    2014-01-01

    Alus are transposable elements belonging to the short interspersed element family. They occupy over 10% of human genome and have been spreading through genomes over the past 65 million years. In the past, they were considered junk DNA with little function that took up genome volumes. Today, Alus and other transposable elements emerge to be key players in cellular function, including genomic activities, gene expression regulations, and evolution. Here we summarize the current understanding of Alu function in genome and gene expression regulation in human cell nuclei. PMID:24637839

  11. Functional evolution of nuclear structure

    PubMed Central

    Dawson, Scott C.

    2011-01-01

    The evolution of the nucleus, the defining feature of eukaryotic cells, was long shrouded in speculation and mystery. There is now strong evidence that nuclear pore complexes (NPCs) and nuclear membranes coevolved with the endomembrane system, and that the last eukaryotic common ancestor (LECA) had fully functional NPCs. Recent studies have identified many components of the nuclear envelope in living Opisthokonts, the eukaryotic supergroup that includes fungi and metazoan animals. These components include diverse chromatin-binding membrane proteins, and membrane proteins with adhesive lumenal domains that may have contributed to the evolution of nuclear membrane architecture. Further discoveries about the nucleoskeleton suggest that the evolution of nuclear structure was tightly coupled to genome partitioning during mitosis. PMID:22006947

  12. Adiabatic corrections to density functional theory energies and wave functions.

    PubMed

    Mohallem, José R; Coura, Thiago de O; Diniz, Leonardo G; de Castro, Gustavo; Assafrão, Denise; Heine, Thomas

    2008-09-25

    The adiabatic finite-nuclear-mass-correction (FNMC) to the electronic energies and wave functions of atoms and molecules is formulated for density-functional theory and implemented in the deMon code. The approach is tested for a series of local and gradient corrected density functionals, using MP2 results and diagonal-Born-Oppenheimer corrections from the literature for comparison. In the evaluation of absolute energy corrections of nonorganic molecules the LDA PZ81 functional works surprisingly better than the others. For organic molecules the GGA BLYP functional has the best performance. FNMC with GGA functionals, mainly BLYP, show a good performance in the evaluation of relative corrections, except for nonorganic molecules containing H atoms. The PW86 functional stands out with the best evaluation of the barrier of linearity of H2O and the isotopic dipole moment of HDO. In general, DFT functionals display an accuracy superior than the common belief and because the corrections are based on a change of the electronic kinetic energy they are here ranked in a new appropriate way. The approach is applied to obtain the adiabatic correction for full atomization of alcanes C(n)H(2n+2), n = 4-10. The barrier of 1 mHartree is approached for adiabatic corrections, justifying its insertion into DFT. PMID:18537228

  13. Spheroidal Wave Functions in Electromagnetic Theory

    NASA Astrophysics Data System (ADS)

    Li, Le-Wei; Kang, Xiao-Kang; Leong, Mook-Seng

    2001-11-01

    The flagship monograph addressing the spheroidal wave function and its pertinence to computational electromagnetics Spheroidal Wave Functions in Electromagnetic Theory presents in detail the theory of spheroidal wave functions, its applications to the analysis of electromagnetic fields in various spheroidal structures, and provides comprehensive programming codes for those computations. The topics covered in this monograph include: Spheroidal coordinates and wave functions Dyadic Green's functions in spheroidal systems EM scattering by a conducting spheroid EM scattering by a coated dielectric spheroid Spheroid antennas SAR distributions in a spheroidal head model The programming codes and their applications are provided online and are written in Mathematica 3.0 or 4.0. Readers can also develop their own codes according to the theory or routine described in the book to find subsequent solutions of complicated structures. Spheroidal Wave Functions in Electromagnetic Theory is a fundamental reference for scientists, engineers, and graduate students practicing modern computational electromagnetics or applied physics.

  14. New approach to folding with the Coulomb wave function

    SciTech Connect

    Blokhintsev, L. D.; Savin, D. A.; Kadyrov, A. S.; Mukhamedzhanov, A. M.

    2015-05-15

    Due to the long-range character of the Coulomb interaction theoretical description of low-energy nuclear reactions with charged particles still remains a formidable task. One way of dealing with the problem in an integral-equation approach is to employ a screened Coulomb potential. A general approach without screening requires folding of kernels of the integral equations with the Coulomb wave. A new method of folding a function with the Coulomb partial waves is presented. The partial-wave Coulomb function both in the configuration and momentum representations is written in the form of separable series. Each term of the series is represented as a product of a factor depending only on the Coulomb parameter and a function depending on the spatial variable in the configuration space and the momentum variable if the momentum representation is used. Using a trial function, the method is demonstrated to be efficient and reliable.

  15. Spatial wave functions of photon and electron

    SciTech Connect

    Khokhlov, D. L.

    2010-12-01

    The quantum mechanical model of the photon and electron is considered. The photon is conceived of as a particle moving with the speed of light which is accompanied by the wave function of the photon spreading out with an infinite speed. The wave function of the electron is introduced in terms of virtual photons tied to the electron. A description of electrostatic and magnetostatic interactions is given through the wave functions of electrons. The approach provides an explanation of the results of recent experiments measuring the speed of propagation of the bound magnetic field.

  16. The geometry of electron wave functions

    SciTech Connect

    Aminov, Yurii A

    2013-02-28

    To each wave function we assign a codimension-two submanifold in Euclidean space. We study the case of the wave function of a single electron in the hydrogen atom or other hydrogen-type atoms with quantum numbers n, l, m in detail. We prove theorems describing the behaviour of the scalar and sectional curvature of the constructed submanifold, depending on the quantum numbers. We also consider the external geometry of the submanifold. Bibliography: 9 titles.

  17. Weak measurement and Bohmian conditional wave functions

    SciTech Connect

    Norsen, Travis; Struyve, Ward

    2014-11-15

    It was recently pointed out and demonstrated experimentally by Lundeen et al. that the wave function of a particle (more precisely, the wave function possessed by each member of an ensemble of identically-prepared particles) can be “directly measured” using weak measurement. Here it is shown that if this same technique is applied, with appropriate post-selection, to one particle from a perhaps entangled multi-particle system, the result is precisely the so-called “conditional wave function” of Bohmian mechanics. Thus, a plausibly operationalist method for defining the wave function of a quantum mechanical sub-system corresponds to the natural definition of a sub-system wave function which Bohmian mechanics uniquely makes possible. Similarly, a weak-measurement-based procedure for directly measuring a sub-system’s density matrix should yield, under appropriate circumstances, the Bohmian “conditional density matrix” as opposed to the standard reduced density matrix. Experimental arrangements to demonstrate this behavior–and also thereby reveal the non-local dependence of sub-system state functions on distant interventions–are suggested and discussed. - Highlights: • We study a “direct measurement” protocol for wave functions and density matrices. • Weakly measured states of entangled particles correspond to Bohmian conditional states. • Novel method of observing quantum non-locality is proposed.

  18. Finite range distorted-wave Born approximation analysis of (p,t) reactions with a realistic triton wave function

    NASA Astrophysics Data System (ADS)

    Werby, M. F.; Strayer, M. R.; Nagarajan, M. A.

    1980-06-01

    Exact finite range distorted-wave Born approximation analysis of the ground state reactions 208Pb(p,t)206Pb and 18O(p,t)16O are presented. The calculations are carried out using a realistic triton wave function comprising a spatially symmetric S and mixed symmetric S' and D states. The transfer interaction is treated consistently with the interaction used in obtaining the triton wave function. The use of a realistic wave function and transfer potential yields improved agreement between experimental and theoretical angular distributions. Calculations using the wave function of the transferred neutron pair suggest it is possible to explain both the absolute magnitude and shape of the angular distribution for these transitions. NUCLEAR REACTIONS (p,t), distorted-wave Born approximation analyses.

  19. The Wave Function and Quantum Reality

    SciTech Connect

    Gao Shan

    2011-03-28

    We investigate the meaning of the wave function by analyzing the mass and charge density distributions of a quantum system. According to protective measurement, a charged quantum system has effective mass and charge density distributing in space, proportional to the square of the absolute value of its wave function. In a realistic interpretation, the wave function of a quantum system can be taken as a description of either a physical field or the ergodic motion of a particle. The essential difference between a field and the ergodic motion of a particle lies in the property of simultaneity; a field exists throughout space simultaneously, whereas the ergodic motion of a particle exists throughout space in a time-divided way. If the wave function is a physical field, then the mass and charge density will be distributed in space simultaneously for a charged quantum system, and thus there will exist gravitational and electrostatic self-interactions of its wave function. This not only violates the superposition principle of quantum mechanics but also contradicts experimental observations. Thus the wave function cannot be a description of a physical field but be a description of the ergodic motion of a particle. For the later there is only a localized particle with mass and charge at every instant, and thus there will not exist any self-interaction for the wave function. It is further argued that the classical ergodic models, which assume continuous motion of particles, cannot be consistent with quantum mechanics. Based on the negative result, we suggest that the wave function is a description of the quantum motion of particles, which is random and discontinuous in nature. On this interpretation, the square of the absolute value of the wave function not only gives the probability of the particle being found in certain locations, but also gives the probability of the particle being there. The suggested new interpretation of the wave function provides a natural realistic

  20. Functional methods for waves in random media

    NASA Technical Reports Server (NTRS)

    Chow, P. L.

    1981-01-01

    Some basic ideas in functional methods for waves in random media are illustrated through a simple random differential equation. These methods are then generalized to solve certain random parabolic equations via an exponential representation given by the Feynman-Kac formula. It is shown that these functional methods are applicable to a number of problems in random wave propagation. They include the forward-scattering approximation in Gaussian white-noise media; the solution of the optical beam propagation problem by a phase-integral method; the high-frequency scattering by bounded random media; and a derivation of approximate moment equations from the functional integral representation.

  1. Functional methods for waves in random media

    NASA Technical Reports Server (NTRS)

    Chow, P. L.

    1981-01-01

    Some basic ideas in functional methods for waves in random media are illustrated through a simple random differential equation. These methods are then generalized to solve certain random parabolic equations via an exponential representation given by the Feynman-Kac formula. It is shown that these functional methods are applicable to a number of problems in random wave propagation. They include the forward-scattering approximation in Gaussian white-noise media; the solution of the optical beam propagation problem by a phase-integral method; the high-frequency scattering by bounded random media, and a derivation of approximate moment equations from the functional integral representation.

  2. Swell-Dissipation Function for Wave Models

    NASA Astrophysics Data System (ADS)

    Babanin, A.

    2012-04-01

    In the paper, we will investigate swell attenuation due to production of turbulence by the wave orbital motion. Theoreticaly, potential waves cannot generate the vortex motion, but the scale considerations indicate that if the steepness of waves is not too small, the Reynolds number can exceed the critical values. This means that in presence of initial non-potential disturbances the orbital velocities can generate the vortex motion and turbulence. This problem was investigated by laboratory means, numerical simulations and field observations. As a sink of wave energy, such dissipation is small in presence of wave breaking, but is essential for swell. Swell prediction by spectral wave models is often poor, but is important for offshore and maritime industry, and across a broad range of oceanographic and air-sea interaction applications. Based on the research of wave-induced turbulence, new swell-dissipation function is proposed. It agrees well with satellite observations of long-distance swell propagation and has been employed and tested in spectral wave models.

  3. Millimeter wave detection of nuclear radiation: An alternative detection mechanism

    SciTech Connect

    Gopalsami, N.; Chien, H. T.; Heifetz, A.; Koehl, E. R.; Raptis, A. C.

    2009-08-15

    We present a nuclear radiation detection mechanism using millimeter waves as an alternative to conventional detection. It is based on the concept that nuclear radiation causes ionization of air and that if we place a dielectric material near the radiation source, it acts as a charge accumulator of the air ions. We have found that millimeter waves can interrogate the charge cloud on the dielectric material remotely. This concept was tested with a standoff millimeter wave system by monitoring the charge levels on a cardboard tube placed in an x-ray beam.

  4. Millimeter wave detection of nuclear radiation - an alternative detection mechanism.

    SciTech Connect

    Gopalsami, N.; Chien, H. T.; Heifetz, A.; Koehl, E. R.; Raptis, A. C.; Nuclear Engineering Division

    2009-08-01

    We present a nuclear radiation detection mechanism using millimeter waves as an alternative to conventional detection. It is based on the concept that nuclear radiation causes ionization of air and that if we place a dielectric material near the radiation source, it acts as a charge accumulator of the air ions. We have found that millimeter waves can interrogate the charge cloud on the dielectric material remotely. This concept was tested with a standoff millimeter wave system by monitoring the charge levels on a cardboard tube placed in an x-ray beam.

  5. Millimeter wave detection of nuclear radiation: an alternative detection mechanism.

    PubMed

    Gopalsami, N; Chien, H T; Heifetz, A; Koehl, E R; Raptis, A C

    2009-08-01

    We present a nuclear radiation detection mechanism using millimeter waves as an alternative to conventional detection. It is based on the concept that nuclear radiation causes ionization of air and that if we place a dielectric material near the radiation source, it acts as a charge accumulator of the air ions. We have found that millimeter waves can interrogate the charge cloud on the dielectric material remotely. This concept was tested with a standoff millimeter wave system by monitoring the charge levels on a cardboard tube placed in an x-ray beam.

  6. Dipole rescattering and the nuclear structure function

    SciTech Connect

    Carvalho, F.; Goncalves, V. P.; Navarra, F. S.; Oliveira, E. G.

    2013-03-25

    In the framework of the dipole model, we study the effects of the dipole multiple scatterings in a nuclear target and compute the nuclear structure function. We compare different unitarization schemes and confront our results with the E665 data.

  7. Compression algorithm for multideterminant wave functions.

    PubMed

    Weerasinghe, Gihan L; Ríos, Pablo López; Needs, Richard J

    2014-02-01

    A compression algorithm is introduced for multideterminant wave functions which can greatly reduce the number of determinants that need to be evaluated in quantum Monte Carlo calculations. We have devised an algorithm with three levels of compression, the least costly of which yields excellent results in polynomial time. We demonstrate the usefulness of the compression algorithm for evaluating multideterminant wave functions in quantum Monte Carlo calculations, whose computational cost is reduced by factors of between about 2 and over 25 for the examples studied. We have found evidence of sublinear scaling of quantum Monte Carlo calculations with the number of determinants when the compression algorithm is used.

  8. Spontaneous symmetry breaking in correlated wave functions

    NASA Astrophysics Data System (ADS)

    Kaneko, Ryui; Tocchio, Luca F.; Valenti, Roser; Becca, Federico; Gros, Claudius

    We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is mainly related to the presence of a sufficiently strong Jastrow term (also including the case of full Gutzwiller projection, suitable for describing spin models). Selected examples are reported, including the spawning of Néel order and dimerization in spin systems, and the stabilization of density and orbital order in itinerant electronic systems

  9. Spontaneous symmetry breaking in correlated wave functions

    NASA Astrophysics Data System (ADS)

    Kaneko, Ryui; Tocchio, Luca F.; Valentí, Roser; Becca, Federico; Gros, Claudius

    2016-03-01

    We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is mainly related to the presence of a sufficiently strong Jastrow term (also including the case of full Gutzwiller projection, suitable for describing spin models). Selected examples are reported, including the spawning of Néel order and dimerization in spin systems, and the stabilization of charge and orbital order in itinerant electronic systems.

  10. Constructibility of the Universal Wave Function

    NASA Astrophysics Data System (ADS)

    Bolotin, Arkady

    2016-05-01

    This paper focuses on a constructive treatment of the mathematical formalism of quantum theory and a possible role of constructivist philosophy in resolving the foundational problems of quantum mechanics, particularly, the controversy over the meaning of the wave function of the universe. As it is demonstrated in the paper, unless the number of the universe's degrees of freedom is fundamentally upper bounded (owing to some unknown physical laws) or hypercomputation is physically realizable, the universal wave function is a non-constructive entity in the sense of constructive recursive mathematics. This means that even if such a function might exist, basic mathematical operations on it would be undefinable and subsequently the only content one would be able to deduce from this function would be pure symbolical.

  11. Constructibility of the Universal Wave Function

    NASA Astrophysics Data System (ADS)

    Bolotin, Arkady

    2016-10-01

    This paper focuses on a constructive treatment of the mathematical formalism of quantum theory and a possible role of constructivist philosophy in resolving the foundational problems of quantum mechanics, particularly, the controversy over the meaning of the wave function of the universe. As it is demonstrated in the paper, unless the number of the universe's degrees of freedom is fundamentally upper bounded (owing to some unknown physical laws) or hypercomputation is physically realizable, the universal wave function is a non-constructive entity in the sense of constructive recursive mathematics. This means that even if such a function might exist, basic mathematical operations on it would be undefinable and subsequently the only content one would be able to deduce from this function would be pure symbolical.

  12. Elastic Waves Green Functions For Stratified Medium

    NASA Astrophysics Data System (ADS)

    Albuquerque, E. L.; Ferreira, E. C.; Mauriz, P. W.

    Multiple scattering analysis of elastic waves propagating in a stratified medium is a powerful method to model seismic reflection signals, widely used in the exploration for oil and gas reservoirs. Reflection imaging and inversion method derive their exis- tence from the presence of singularities in the Earth's material properties that support the waves. Considering a Green's function formalism based on the {it frequency distri- bution} of the elastic wave spectra, we study their propagation within a model in which the Earth is treated as a stratified medium. The calculations are based on the linear response function approach, which is very convenient to deal with this kind of prob- lem. Both the displacement ({it space}) and the wavevector ({it space-time}) Green's functions are determined. A damping term gamma is included in a phenomenolog- ical way into the wavevector expression. In order to examine the waves' excitation, we also determine, by using the fluctuation-dissipation theorem, their power spectra, which have many interesting properties.

  13. Wave function microscopy of quasibound atomic states.

    PubMed

    Cohen, S; Harb, M M; Ollagnier, A; Robicheaux, F; Vrakking, M J J; Barillot, T; Lépine, F; Bordas, C

    2013-05-01

    In the 1980s Demkov, Kondratovich, and Ostrovsky and Kondratovich and Ostrovsky proposed an experiment based on the projection of slow electrons emitted by a photoionized atom onto a position-sensitive detector. In the case of resonant excitation, they predicted that the spatial electron distribution on the detector should represent nothing else but a magnified image of the projection of a quasibound electronic state. By exciting lithium atoms in the presence of a static electric field, we present in this Letter the first experimental photoionization wave function microscopy images where signatures of quasibound states are evident. Characteristic resonant features, such as (i) the abrupt change of the number of wave function nodes across a resonance and (ii) the broadening of the outer ring of the image (associated with tunneling ionization), are observed and interpreted via wave packet propagation simulations and recently proposed resonance tunneling mechanisms. The electron spatial distribution measured by our microscope is a direct macroscopic image of the projection of the microscopic squared modulus of the electron wave that is quasibound to the atom and constitutes the first experimental realization of the experiment proposed 30 years ago. PMID:23683194

  14. Safe Fast Reactor Based on Nuclear Burning Wave Regime

    SciTech Connect

    Fomin, S.; Mel'nik, Yu.; Pilipenko, V.; Shul'ga, N.

    2006-07-01

    The deterministic approach for describing the phenomenon of self-sustained regime of nuclear burning wave in a fast critical reactor is developed. The results of calculations of the space-time evolution of neutron flux and the fuel burn-up in such a system are presented. (authors)

  15. Semiclassical wave functions for open quantum billiards.

    PubMed

    Lackner, Fabian; Březinová, Iva; Burgdörfer, Joachim; Libisch, Florian

    2013-08-01

    We present a semiclassical approximation to the scattering wave function Ψ(r,k) for an open quantum billiard, which is based on the reconstruction of the Feynman path integral. We demonstrate its remarkable numerical accuracy for the open rectangular billiard and show that the convergence of the semiclassical wave function to the full quantum state is controlled by the mean path length or equivalently the dwell time for a given scattering state. In the numerical implementation a cutoff length in the maximum path length or, equivalently, a maximum dwell time τ(max) included implies a finite energy resolution ΔE~τ(max)(-1). Possible applications include leaky billiards and systems with decoherence present. PMID:24032910

  16. General Forms of Wave Functions for Dipositronium, Ps2

    NASA Technical Reports Server (NTRS)

    Schrader, D.M.

    2007-01-01

    The consequences of particle interchange symmetry for the structure of wave functions of the states of dipositronium was recently discussed by the author [I]. In the present work, the methodology is simply explained, and the wave functions are explicitly given.

  17. Lanczos steps to improve variational wave functions

    NASA Astrophysics Data System (ADS)

    Becca, Federico; Hu, Wen-Jun; Iqbal, Yasir; Parola, Alberto; Poilblanc, Didier; Sorella, Sandro

    2015-09-01

    Gutzwiller-projected fermionic states can be efficiently implemented within quantum Monte Carlo calculations to define extremely accurate variational wave functions for Heisenberg models on frustrated two-dimensional lattices, not only for the ground state but also for low-energy excitations. The application of few Lanczos steps on top of these states further improves their accuracy, allowing calculations on large clusters. In addition, by computing both the energy and its variance, it is possible to obtain reliable estimations of exact results. Here, we report the cases of the frustrated Heisenberg models on square and Kagome lattices.

  18. Covariance Constraints for Light Front Wave Functions

    NASA Astrophysics Data System (ADS)

    Müller, D.

    2016-06-01

    Light front wave functions (LFWFs) are often utilized to model parton distributions and form factors where their transverse and longitudinal momenta are tied to each other in some manner that is often guided by convenience. On the other hand, the cross talk of transverse and longitudinal momenta is governed by Poincaré symmetry and thus popular LFWF models are often not usable to model more intricate quantities such as generalized parton distributions. In this contribution a closer look to this issue is given and it is shown how to overcome the issue for two-body LFWFs.

  19. Meson's correlation functions in a nuclear medium

    NASA Astrophysics Data System (ADS)

    Park, Chanyong

    2016-09-01

    We investigate meson's spectrum, decay constant and form factor in a nuclear medium through holographic two- and three-point correlation functions. To describe a nuclear medium composed of protons and neutrons, we consider a hard wall model on the thermal charged AdS geometry and show that due to the isospin interaction with a nuclear medium, there exist splittings of the meson's spectrum, decay constant and form factor relying on the isospin charge. In addition, we show that the ρ-meson's form factor describing an interaction with pseudoscalar fluctuation decreases when the nuclear density increases, while the interaction with a longitudinal part of an axial vector meson increases.

  20. Universal Nuclear Energy Density Functional

    SciTech Connect

    Carlson, Joseph; Furnstahl, Richard; Horoi, Mihai; Lusk, Rusty; Nazarewicz, Witold; Ng, Esmond; Thompson, Ian; Vary, James

    2012-12-01

    An understanding of the properties of atomic nuclei is crucial for a complete nuclear theory, for element formation, for properties of stars, and for present and future energy and defense applications. During the period of Dec. 1 2006 – Jun. 30, 2012, the UNEDF collaboration carried out a comprehensive study of all nuclei, based on the most accurate knowledge of the strong nuclear interaction, the most reliable theoretical approaches, the most advanced algorithms, and extensive computational resources, with a view towards scaling to the petaflop platforms and beyond. Until recently such an undertaking was hard to imagine, and even at the present time such an ambitious endeavor would be far beyond what a single researcher or a traditional research group could carry out.

  1. A spline approach to trial wave functions for variational and diffusion Monte Carlo

    NASA Astrophysics Data System (ADS)

    Bressanini, Dario; Fabbri, Giordano; Mella, Massimo; Morosi, Gabriele

    1999-10-01

    We describe how to combine the variational Monte Carlo method with a spline description of the wave function to obtain a powerful and flexible method to optimize electronic and nuclear wave functions. A property of this method is that the optimization is performed "locally": During the optimization, the attention is focused on a region of the wave function at a certain time, with little or no perturbation in far away regions. This allows a fine tuning of the wave function even in cases where there is no experience on how to choose a good functional form and a good basis set. After the optimization, the splines were fitted using more familiar analytical global functions. The flexibility of the method is shown by calculating the electronic wave function for some two and three electron systems, and the nuclear wave function for the helium trimer. For 4He3, using a two-body helium-helium potential, we obtained the best variational function to date, which allows us to estimate the exact energy with a very small variance by a diffusion Monte Carlo simulation.

  2. High-Frequency Gravitational Wave Induced Nuclear Fusion

    NASA Astrophysics Data System (ADS)

    Fontana, Giorgio; Baker, Robert M. L.

    2007-01-01

    Nuclear fusion is a process in which nuclei, having a total initial mass, combine to produce a single nucleus, having a final mass less than the total initial mass. Below a given atomic number the process is exothermic; that is, since the final mass is less than the combined initial mass and the mass deficit is converted into energy by the nuclear fusion. On Earth nuclear fusion does not happen spontaneously because electrostatic barriers prevent the phenomenon. To induce controlled, industrial scale, nuclear fusion, only a few methods have been discovered that look promising, but net positive energy production is not yet possible because of low overall efficiency of the systems. In this paper we propose that an intense burst of High Frequency Gravitational Waves (HFGWs) could be focused or beamed to a target mass composed of appropriate fuel or target material to efficiently rearrange the atomic or nuclear structure of the target material with consequent nuclear fusion. Provided that efficient generation of HFGW can be technically achieved, the proposed fusion reactor could become a viable solution for the energy needs of mankind and alternatively a process for beaming energy to produce a source of fusion energy remotely — even inside solid materials.

  3. High-Frequency Gravitational Wave Induced Nuclear Fusion

    SciTech Connect

    Fontana, Giorgio; Baker, Robert M. L. Jr.

    2007-01-30

    Nuclear fusion is a process in which nuclei, having a total initial mass, combine to produce a single nucleus, having a final mass less than the total initial mass. Below a given atomic number the process is exothermic; that is, since the final mass is less than the combined initial mass and the mass deficit is converted into energy by the nuclear fusion. On Earth nuclear fusion does not happen spontaneously because electrostatic barriers prevent the phenomenon. To induce controlled, industrial scale, nuclear fusion, only a few methods have been discovered that look promising, but net positive energy production is not yet possible because of low overall efficiency of the systems. In this paper we propose that an intense burst of High Frequency Gravitational Waves (HFGWs) could be focused or beamed to a target mass composed of appropriate fuel or target material to efficiently rearrange the atomic or nuclear structure of the target material with consequent nuclear fusion. Provided that efficient generation of HFGW can be technically achieved, the proposed fusion reactor could become a viable solution for the energy needs of mankind and alternatively a process for beaming energy to produce a source of fusion energy remotely - even inside solid materials.

  4. LINCing complex functions at the nuclear envelope

    PubMed Central

    Rothballer, Andrea; Schwartz, Thomas U.; Kutay, Ulrike

    2013-01-01

    Linker of nucleoskeleton and cytoskeleton (LINC) complexes span the double membrane of the nuclear envelope (NE) and physically connect nuclear structures to cytoskeletal elements. LINC complexes are envisioned as force transducers in the NE, which facilitate processes like nuclear anchorage and migration, or chromosome movements. The complexes are built from members of two evolutionary conserved families of transmembrane (TM) proteins, the SUN (Sad1/UNC-84) domain proteins in the inner nuclear membrane (INM) and the KASH (Klarsicht/ANC-1/SYNE homology) domain proteins in the outer nuclear membrane (ONM). In the lumen of the NE, the SUN and KASH domains engage in an intimate assembly to jointly form a NE bridge. Detailed insights into the molecular architecture and atomic structure of LINC complexes have recently revealed the molecular basis of nucleo-cytoskeletal coupling. They bear important implications for LINC complex function and suggest new potential and as yet unexplored roles, which the complexes may play in the cell. PMID:23324460

  5. Recent progress on nuclear parton distribution functions

    NASA Astrophysics Data System (ADS)

    Hirai, M.; Kumano, S.; Saito, K.

    2011-09-01

    We report current status of global analyses on nuclear parton distribution functions (NPDFs). The optimum NPDFs are determined by analyzing high-energy nuclear reaction data. Due to limited experimental measurements, antiquark modifications have large uncertainties at x > 0.2 and gluon modifications cannot be determined. A nuclear modification difference between u and d quark distributions could be an origin of the long-standing NuTeV sin2θw anomaly. There is also an issue of nuclear modification differences between the structure functions of charged-lepton and neutrino reactions. Next, nuclear clustering effects are discussed in structure functions F2A as a possible explanation for an anomalous result in the 9Be nucleus at the Thomas Jefferson National Accelerator Facility (JLab). Last, tensor-polarized quark and antiquark distribution functions are extracted from HERMES data on the polarized structure function b1 of the deuteron, and they could be used for testing theoretical models and for proposing future experiments, for example, the one at JLab. Such measurements could open a new field of spin physics in spin-one hadrons.

  6. String wave function across a Kasner singularity

    SciTech Connect

    Copeland, Edmund J.; Niz, Gustavo; Turok, Neil

    2010-06-15

    A collision of orbifold planes in 11 dimensions has been proposed as an explanation of the hot big bang. When the two planes are close to each other, the winding membranes become the lightest modes of the theory, and can be effectively described in terms of fundamental strings in a ten-dimensional background. Near the brane collision, the 11-dimensional metric is a Euclidean space times a 1+1-dimensional Milne universe. However, one may expect small perturbations to lead into a more general Kasner background. In this paper we extend the previous classical analysis of winding membranes to Kasner backgrounds, and using the Hamiltonian equations, solve for the wave function of loops with circular symmetry. The evolution across the singularity is regular, and explained in terms of the excitement of higher oscillation modes. We also show there is finite particle production and unitarity is preserved.

  7. Intercellular Ca2+ Waves: Mechanisms and Function

    PubMed Central

    Sanderson, Michael J.

    2012-01-01

    Intercellular calcium (Ca2+) waves (ICWs) represent the propagation of increases in intracellular Ca2+ through a syncytium of cells and appear to be a fundamental mechanism for coordinating multicellular responses. ICWs occur in a wide diversity of cells and have been extensively studied in vitro. More recent studies focus on ICWs in vivo. ICWs are triggered by a variety of stimuli and involve the release of Ca2+ from internal stores. The propagation of ICWs predominately involves cell communication with internal messengers moving via gap junctions or extracellular messengers mediating paracrine signaling. ICWs appear to be important in both normal physiology as well as pathophysiological processes in a variety of organs and tissues including brain, liver, retina, cochlea, and vascular tissue. We review here the mechanisms of initiation and propagation of ICWs, the key intra- and extracellular messengers (inositol 1,4,5-trisphosphate and ATP) mediating ICWs, and the proposed physiological functions of ICWs. PMID:22811430

  8. Hadron Wave Functions from Lattice QCD

    NASA Astrophysics Data System (ADS)

    Braun, V. M.

    2016-08-01

    I give a brief account of the status and perspectives of lattice calculations of the light-front wave functions at small transverse separations, usually referred to as hadron distribution amplitudes (DAs). The existing calculations indicate that the corrections to the asymptotic form of such distributions at large scales are rather small as compared to earlier model estimates. Lattice calculations also suggest an alternating pattern of such corrections for the nucleon resonances with increasing mass. Several recent results are discussed, including precise determination of the second moment of the pion DA, leading-twist DAs of the nucleon and N^*(1535) , and the first calculation of the flavor-symmetry breaking corrections in the DAs of the baryon octet.

  9. The Air Blast Wave from a Nuclear Explosion

    NASA Astrophysics Data System (ADS)

    Reines, Frederick

    The sudden, large scale release of energy in the explosion of a nuclear bomb in air gives rise, in addition to nuclear emanations such as neutrons and gamma rays, to an extremely hot, rapidly expanding mass of air.** The rapidly expanding air mass has an initial temperature in the vicinity of a few hundred thousand degrees and for this reason it glows in its early stages with an intensity of many suns. It is important that the energy density in this initial "ball of fire" is of the order of 3 × 103 times that found in a detonating piece of TNT and hence that the initial stages of the large scale air motion produced by a nuclear explosion has no counterpart in an ordinary. H. E. explosion. Further, the relatively low temperatures ˜2,000°C associated with the initial stages of an H. E. detonation implies that the thermal radiation which it emits is a relatively insignificant fraction of the total energy involves. This point is made more striking when it is remembered that the thermal energy emitted by a hot object varies directly with the temperature in the Rayleigh Jeans region appropriate to the present discussion. The expansion of the air mass heated by the nuclear reaction produces, in qualitatively the same manner as in an H.E. explosion or the bursting of a high pressure balloon, an intense sharp pressure pulse, a shock wave, in the atmosphere. As the pressure pulse spreads outward it weakens due to the combined effects of divergence and the thermodynamically irreversible nature of the shock wave. The air comprising such a pressure pulse or blast wave moves first radially outward and then back towards the center as the blast wave passes. Since a permanent outward displacement of an infinite mass of air would require unlimited energy, the net outward displacement of the air distant from an explosion must approach zero with increasing distance. As the distance from the explosion is diminished the net outward displacement due to irreversible shock heating of

  10. Computer network defense through radial wave functions

    NASA Astrophysics Data System (ADS)

    Malloy, Ian J.

    The purpose of this research is to synthesize basic and fundamental findings in quantum computing, as applied to the attack and defense of conventional computer networks. The concept focuses on uses of radio waves as a shield for, and attack against traditional computers. A logic bomb is analogous to a landmine in a computer network, and if one was to implement it as non-trivial mitigation, it will aid computer network defense. As has been seen in kinetic warfare, the use of landmines has been devastating to geopolitical regions in that they are severely difficult for a civilian to avoid triggering given the unknown position of a landmine. Thus, the importance of understanding a logic bomb is relevant and has corollaries to quantum mechanics as well. The research synthesizes quantum logic phase shifts in certain respects using the Dynamic Data Exchange protocol in software written for this work, as well as a C-NOT gate applied to a virtual quantum circuit environment by implementing a Quantum Fourier Transform. The research focus applies the principles of coherence and entanglement from quantum physics, the concept of expert systems in artificial intelligence, principles of prime number based cryptography with trapdoor functions, and modeling radio wave propagation against an event from unknown parameters. This comes as a program relying on the artificial intelligence concept of an expert system in conjunction with trigger events for a trapdoor function relying on infinite recursion, as well as system mechanics for elliptic curve cryptography along orbital angular momenta. Here trapdoor both denotes the form of cipher, as well as the implied relationship to logic bombs.

  11. Wave packet spreading and localization in electron-nuclear scattering

    NASA Astrophysics Data System (ADS)

    Grabowski, Paul E.; Markmann, Andreas; Morozov, Igor V.; Valuev, Ilya A.; Fichtl, Christopher A.; Richards, David F.; Batista, Victor S.; Graziani, Frank R.; Murillo, Michael S.

    2013-06-01

    The wave packet molecular dynamics (WPMD) method provides a variational approximation to the solution of the time-dependent Schrödinger equation. Its application in the field of high-temperature dense plasmas has yielded diverging electron width (spreading), which results in diminishing electron-nuclear interactions. Electron spreading has previously been ascribed to a shortcoming of the WPMD method and has been counteracted by various heuristic additions to the models used. We employ more accurate methods to determine if spreading continues to be predicted by them and how WPMD can be improved. A scattering process involving a single dynamic electron interacting with a periodic array of statically screened protons is used as a model problem for comparison. We compare the numerically exact split operator Fourier transform method, the Wigner trajectory method, and the time-dependent variational principle (TDVP). Within the framework of the TDVP, we use the standard variational form of WPMD, the single Gaussian wave packet (WP), as well as a sum of Gaussian WPs, as in the split WP method. Wave packet spreading is predicted by all methods, so it is not the source of the unphysical diminishing of electron-nuclear interactions in WPMD at high temperatures. Instead, the Gaussian WP's inability to correctly reproduce breakup of the electron's probability density into localized density near the protons is responsible for the deviation from more accurate predictions. Extensions of WPMD must include a mechanism for breakup to occur in order to yield dynamics that lead to accurate electron densities.

  12. Nuclear modifications of Parton Distribution Functions

    NASA Astrophysics Data System (ADS)

    Adeluyi, Adeola Adeleke

    This dissertation addresses a central question of modern nuclear physics: how does the behavior of fundamental degrees of freedom (quarks and gluons) change in the nuclear environment? This is an important aspect of experimental studies at current facilities such as the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory and the Continuous Electron Beam Accelerator Facility (CEBAF) at the Thomas Jefferson National Laboratory (JLAB). It is also highly relevant to planned experimental efforts at the Large Hadron Collider (LHC) and the future Electron Ion Collider (EIC). All these facilities probe matter via collisions involving nuclei; thus complications arise due to the presence of the attendant nuclear medium. Theoretical efforts to understand and interpret experimental results from such collisions are therefore largely dependent on the resolution of this question. The development of nuclear physics demonstrates that theoretical description is most efficient in terms of the effective degrees of freedom relevant to the scale (energy) being probed. Thus at low energies, nuclei are described as bound states of protons and neutrons (nucleons). At higher energies, the nucleons are no longer elementary, but are revealed to possess an underlying substructure: they are made up of quarks and gluons, collectively termed partons. The mometum distributions of these partons in the nucleon are referred to as Parton Distribution Functions (PDFs). Parton distributions can be determined from experimental measurements of structure functions. The ratio of nuclear structure functions to nucleon structure functions (generically referred to as nuclear ratio) is a measure of the nuclear modifications of the free nucleon PDFs. Thus a study of the nuclear ratio suffices to gain an understanding of nuclear modifications. In this dissertation we aim to describe theoretically nuclear modifications in a restricted region where the nuclear ratio is less than unity, the so

  13. Nonlinear Trivelpiece-Gould Waves: Frequency, Functional Form, and Stability

    NASA Astrophysics Data System (ADS)

    Dubin, Daniel H. E.

    2015-11-01

    This poster considers the frequency, spatial form, and stability, of nonlinear Trivelpiece- Gould (TG) waves on a cylindrical plasma column of length L and radius rp, treating both traveling and standing waves, and focussing on the regime of experimental interest in which L/rp >> 1. In this regime TG waves are weakly dispersive, allowing strong mode-coupling between Fourier harmonics. The mode coupling implies that linear theory for such waves is a poor approximation even at fairly small amplitudes, and nonlinear theories that include only a small number of harmonics (such as 3-wave parametric resonance theory) fail to fully capture the stability properties of the system. We find that nonlinear standing waves suffer jumps in their functional form as their amplitude is varied continuously. The jumps are caused by nonlinear resonances between the standing wave and nearly linear waves whose frequencies and wave numbers are harmonics of the standing wave. Also, the standing waves are found to be unstable to a multi-wave version of 3-wave parametric resonance, with an amplitude required for instability onset that is much larger than expected from three wave theory. For traveling wave, linearly stability is found for all amplitudes that could be studied, in contradiction to 3-wave theory. Supported by National Science Foundation Grant PHY-1414570, Department of Energy Grants DE-SC0002451and DE-SC0008693.

  14. Quick reproduction of blast-wave flow-field properties of nuclear, TNT, and ANFO explosions

    NASA Astrophysics Data System (ADS)

    Groth, C. P. T.

    1986-04-01

    In many instances, extensive blast-wave flow-field properties are required in gasdynamics research studies of blast-wave loading and structure response, and in evaluating the effects of explosions on their environment. This report provides a very useful computer code, which can be used in conjunction with the DNA Nuclear Blast Standard subroutines and code, to quickly reconstruct complete and fairly accurate blast-wave data for almost any free-air (spherical) and surface-burst (hemispherical) nuclear, trinitrotoluene (TNT), or ammonium nitrate-fuel oil (ANFO) explosion. This code is capable of computing all of the main flow properties as functions of radius and time, as well as providing additional information regarding air viscosity, reflected shock-wave properties, and the initial decay of the flow properties just behind the shock front. Both spatial and temporal distributions of the major blast-wave flow properties are also made readily available. Finally, provisions are also included in the code to provide additional information regarding the peak or shock-front flow properties over a range of radii, for a specific explosion of interest.

  15. Holographic Wave Functions, Meromorphization and Counting Rules

    SciTech Connect

    Anatoly Radyushkin

    2006-05-10

    We study the large-Q{sup 2} behavior of the meson form factor F{sub M} (Q{sup 2}) constructed using the holographic light-front wave functions proposed recently by Brodsky and de Teramond. We show that this model can be also obtained within the Migdal's regularization approach (''meromorphization''), if one applies it to 3-point function for scalar currents made of scalar quarks. We found that the asymptotic 1/Q{sup 2} behavior of F{sub M} (Q{sup 2}) is generated by soft Feynman mechanism rather than by short distance dynamics, which causes very late onset of the 1/Q{sup 2} asymptotic behavior. It becomes visible only for unaccessible momenta Q{sup 2} {approx}> 10, GeV{sup 2}. Using meromorphization for spin-1/2 quarks, we demonstrated that resulting form factor F{sup spinor}{sub M} (Q{sup 2}) has 1/Q{sup 4} asymptotic behavior. Now, owing to the late onset of this asymptotic pattern, F{sup spinor}{sub M} (Q{sup 2}) imitates the 1/Q{sup 2} behavior in the few GeV{sup 2} region.

  16. Holomorphic wave function of the Universe

    SciTech Connect

    Kodama, H. )

    1990-10-15

    The quantum behavior of the vacuum Bianchi type-IX universe with the cosmological constant is investigated in terms of the Ashtekar variables. An exact solution to the quantum Hamiltonian constraint in the holomorphic representation is given. This solution reduces to the Hartle-Hawking wave function in the spatially isotropic sector and extends in the triad representation to the classically forbidden region where the determinant of the spatial metric becomes negative. The analysis of the quantum Robertson-Walker universe indicates that if the superspace is extended to such a classically forbidden region, the holomorphic representation picks up some restricted class of solutions in general. This observation leads to a new ansatz on the boundary condition of the Universe. In particular, the behavior of the Lorentzian and Euclidean WKB orbits corresponding to the solution suggests a new picture on the semiclassical behavior of the quantum Universe: that the Universe is created from an ensemble of Euclidean mother spacetimes. Further it is pointed out that the solution is a restriction to the spatially homogeneous sector of an almost exact solution to all the quantum constraints in the holomorphic representation for generic vacuum spacetime with the cosmological constant. The latter generic solution has a WKB structure for which the phase is proportional to the Chern-Simons functional.

  17. Discrete wave-packet representation in nuclear matter calculations

    NASA Astrophysics Data System (ADS)

    Müther, H.; Rubtsova, O. A.; Kukulin, V. I.; Pomerantsev, V. N.

    2016-08-01

    The Lippmann-Schwinger equation for the nucleon-nucleon t matrix as well as the corresponding Bethe-Goldstone equation to determine the Brueckner reaction matrix in nuclear matter are reformulated in terms of the resolvents for the total two-nucleon Hamiltonians defined in free space and in medium correspondingly. This allows one to find solutions at many energies simultaneously by using the respective Hamiltonian matrix diagonalization in the stationary wave-packet basis. Among other important advantages, this approach simplifies greatly the whole computation procedures both for the coupled-channel t matrix and the Brueckner reaction matrix. Therefore this principally novel scheme is expected to be especially useful for self-consistent nuclear matter calculations because it allows one to accelerate in a high degree single-particle potential iterations. Furthermore the method provides direct access to the properties of possible two-nucleon bound states in the nuclear medium. The comparison between reaction matrices found via the numerical solution of the Bethe-Goldstone integral equation and the straightforward Hamiltonian diagonalization shows a high accuracy of the method suggested. The proposed fully discrete approach opens a new way to an accurate treatment of two- and three-particle correlations in nuclear matter on the basis of the three-particle Bethe-Faddeev equation by an effective Hamiltonian diagonalization procedure.

  18. Nuclear power-plant safety functions

    SciTech Connect

    Corcoran, W.R.; Finnicum, D.J.; Hubbard, F.R. III; Musick, C.R.; Walzer, P.F.

    1981-03-01

    The concept of safety functions is discussed. Ten critical safety functions and the multiple success paths available for accomplishing them are described. Use of the safety function concept in the development of emergency procedures, operator training, and control-room displays provides a systematic approach and a hierarchy of protection that an operator can use to mitigate the consequences of an event. The safety function concept can also be applied to the design and analysis of nuclear plant systems and to the evaluation of past expierience.

  19. Towards the Universal Nuclear Energy Density Functional

    SciTech Connect

    Stoitsov, Mario; More, J.; Nazarewicz, Witold; Pei, Junchen; Sarich, J.; Schunck, Nicolas F; Staszczak, A.; Wild, S.

    2009-01-01

    The UNEDF SciDAC project to develop and optimize the energy density functional for atomic nuclei using state-of-the-art computational infrastructure is briefly described. The ultimate goal is to replace current phenomenological models of the nucleus with a well-founded microscopic theory with minimal uncertainties, capable of describing nuclear data and extrapolating to unknown regions.

  20. Mechanical regulation of nuclear structure and function.

    PubMed

    Martins, Rui P; Finan, John D; Guilak, Farshid; Lee, David A

    2012-01-01

    Mechanical loading induces both nuclear distortion and alterations in gene expression in a variety of cell types. Mechanotransduction is the process by which extracellular mechanical forces can activate a number of well-studied cytoplasmic signaling cascades. Inevitably, such signals are transduced to the nucleus and induce transcription factor-mediated changes in gene expression. However, gene expression also can be regulated through alterations in nuclear architecture, providing direct control of genome function. One putative transduction mechanism for this phenomenon involves alterations in nuclear architecture that result from the mechanical perturbation of the cell. This perturbation is associated with direct mechanical strain or osmotic stress, which is transferred to the nucleus. This review describes the current state of knowledge relating the nuclear architecture and the transfer of mechanical forces to the nucleus mediated by the cytoskeleton, the nucleoskeleton, and the LINC (linker of the nucleoskeleton and cytoskeleton) complex. Moreover, remodeling of the nucleus induces alterations in nuclear stiffness, which may be associated with cell differentiation. These phenomena are discussed in relation to the potential influence of nuclear architecture-mediated mechanoregulation of transcription and cell fate. PMID:22655599

  1. Bohmian mechanics without wave function ontology

    NASA Astrophysics Data System (ADS)

    Solé, Albert

    2013-11-01

    In this paper, I critically assess different interpretations of Bohmian mechanics that are not committed to an ontology based on the wave function being an actual physical object that inhabits configuration space. More specifically, my aim is to explore the connection between the denial of configuration space realism and another interpretive debate that is specific to Bohmian mechanics: the quantum potential versus guidance approaches. Whereas defenders of the quantum potential approach to the theory claim that Bohmian mechanics is better formulated as quasi-Newtonian, via the postulation of forces proportional to acceleration; advocates of the guidance approach defend the notion that the theory is essentially first-order and incorporates some concepts akin to those of Aristotelian physics. Here I analyze whether the desideratum of an interpretation of Bohmian mechanics that is both explanatorily adequate and not committed to configuration space realism favors one of these two approaches to the theory over the other. Contrary to some recent claims in the literature, I argue that the quasi-Newtonian approach based on the idea of a quantum potential does not come out the winner.

  2. Wave functions for continuum states of charged fragments

    NASA Astrophysics Data System (ADS)

    Ward, S. J.; Macek, J. H.

    1994-02-01

    Briggs's representation [Phys. Rev. A 41, 539 (1990)] of the Mo/ller wave operator for multiparticle wave functions is applied to charged fragments using a limiting procedure to correctly account for the slow decrease of Coulomb interactions with distance. Approximate wave functions used to model (e,2e) angular correlation measurments are obtained. Computed and measured angular correlations are compared to clarify the region of applicability of two approximations.

  3. The Wave Function of the Universe in New Variables

    NASA Astrophysics Data System (ADS)

    Chakraborty, Subenoy

    1997-09-01

    In this paper we evaluate the wave function of the universe using the usual Euclidean path integral technique as proposed by Halliwell and Louko for Ashtekar's new variables. Also we consider the new regularization technique developed by Ishikawa and Ueda for evaluation of the path integral. The wave function by solving the Wheeler-DeWitt equation is also presented.

  4. Calculation of the Aharonov-Bohm wave function

    SciTech Connect

    Alvarez, M.

    1996-08-01

    A calculation of the Aharonov-Bohm wave function is presented. The result is an asymptotic series of confluent hypergeometric functions which is finite at the forward direction. {copyright} {ital 1996 The American Physical Society.}

  5. Optimal Slater-determinant approximation of fermionic wave functions

    NASA Astrophysics Data System (ADS)

    Zhang, J. M.; Mauser, Norbert J.

    2016-09-01

    We study the optimal Slater-determinant approximation of an N -fermion wave function analytically. That is, we seek the Slater-determinant (constructed out of N orthonormal single-particle orbitals) wave function having largest overlap with a given N -fermion wave function. Some simple lemmas have been established and their usefulness is demonstrated on some structured states, such as the Greenberger-Horne-Zeilinger state. In the simplest nontrivial case of three fermions in six orbitals, which the celebrated Borland-Dennis discovery is about, the optimal Slater approximation wave function is proven to be built out of the natural orbitals in an interesting way. We also show that the Hadamard inequality is useful for finding the optimal Slater approximation of some special target wave functions.

  6. Effect of Forcing Function on Nonlinear Acoustic Standing Waves

    NASA Technical Reports Server (NTRS)

    Finkheiner, Joshua R.; Li, Xiao-Fan; Raman, Ganesh; Daniels, Chris; Steinetz, Bruce

    2003-01-01

    Nonlinear acoustic standing waves of high amplitude have been demonstrated by utilizing the effects of resonator shape to prevent the pressure waves from entering saturation. Experimentally, nonlinear acoustic standing waves have been generated by shaking an entire resonating cavity. While this promotes more efficient energy transfer than a piston-driven resonator, it also introduces complicated structural dynamics into the system. Experiments have shown that these dynamics result in resonator forcing functions comprised of a sum of several Fourier modes. However, previous numerical studies of the acoustics generated within the resonator assumed simple sinusoidal waves as the driving force. Using a previously developed numerical code, this paper demonstrates the effects of using a forcing function constructed with a series of harmonic sinusoidal waves on resonating cavities. From these results, a method will be demonstrated which allows the direct numerical analysis of experimentally generated nonlinear acoustic waves in resonators driven by harmonic forcing functions.

  7. Detecting wave function collapse without prior knowledge

    NASA Astrophysics Data System (ADS)

    Cowan, Charles Wesley; Tumulka, Roderich

    2015-08-01

    We are concerned with the problem of detecting with high probability whether a wave function has collapsed or not, in the following framework: A quantum system with a d-dimensional Hilbert space is initially in state ψ; with probability 0 < p < 1, the state collapses relative to the orthonormal basis b1, …, bd. That is, the final state ψ' is random, it is ψ with probability 1 - p and bk (up to a phase) with p times Born's probability || ψ 2 . Now an experiment on the system in state ψ' is desired that provides information about whether or not a collapse has occurred. Elsewhere [C. W. Cowan and R. Tumulka, J. Phys. A: Math. Theor. 47, 195303 (2014)], we identify and discuss the optimal experiment in case that ψ is either known or random with a known probability distribution. Here, we present results about the case that no a priori information about ψ is available, while we regard p and b1, …, bd as known. For certain values of p, we show that the set of ψs for which any experiment E is more reliable than blind guessing is at most half the unit sphere; thus, in this regime, any experiment is of questionable use, if any at all. Remarkably, however, there are other values of p and experiments E such that the set of ψs for which E is more reliable than blind guessing has measure greater than half the sphere, though with a conjectured maximum of 64% of the sphere.

  8. Building a Universal Nuclear Energy Density Functional

    SciTech Connect

    Carlson, Joe A.; Furnstahl, Dick; Horoi, Mihai; Lust, Rusty; Nazaewicc, Witek; Ng, Esmond; Thompson, Ian; Vary, James

    2012-12-30

    During the period of Dec. 1 2006 – Jun. 30, 2012, the UNEDF collaboration carried out a comprehensive study of all nuclei, based on the most accurate knowledge of the strong nuclear interaction, the most reliable theoretical approaches, the most advanced algorithms, and extensive computational resources, with a view towards scaling to the petaflop platforms and beyond. The long-term vision initiated with UNEDF is to arrive at a comprehensive, quantitative, and unified description of nuclei and their reactions, grounded in the fundamental interactions between the constituent nucleons. We seek to replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that delivers maximum predictive power with well-quantified uncertainties. Specifically, the mission of this project has been three-fold:  First, to find an optimal energy density functional (EDF) using all our knowledge of the nucleonic Hamiltonian and basic nuclear properties;  Second, to apply the EDF theory and its extensions to validate the functional using all the available relevant nuclear structure and reaction data;  Third, to apply the validated theory to properties of interest that cannot be measured, in particular the properties needed for reaction theory.

  9. Double plane wave reverse time migration with plane wave Green's function

    NASA Astrophysics Data System (ADS)

    Zhao, Z.; Sen, M. K.; Stoffa, P. L.

    2015-12-01

    Reverse time migration (RTM) is effective in obtaining complex subsurface structures from seismic data. By solving the two-way wave equation, RTM can use entire wavefield for imaging. Although powerful computer are becoming available, the conventional pre-stack shot gather RTM is still computationally expensive. Solving forward and backward wavefield propagation for each source location and shot gather is extremely time consuming, especially for large seismic datasets. We present an efficient, accurate and flexible plane wave RTM in the frequency domain where we utilize a compressed plane wave dataset, known as the double plane wave (DPW) dataset. Provided with densely sampled seismic dataset, shot gathers can be decomposed into source and receiver plane wave components with minimal artifacts. The DPW RTM is derived under the Born approximation and utilizes frequency domain plane wave Green's function for imaging. Time dips in the shot profiles can help to estimate the range of plane wave components present in shot gathers. Therefore, a limited number of plane wave Green's functions are needed for imaging. Plane wave Green's functions can be used for imaging both source and receiver plane waves. Source and receiver reciprocity can be used for imaging plane wave components at no cost and save half of the computation time. As a result, the computational burden for migration is substantially reduced. Plane wave components can be migrated independently to recover specific targets with given dips, and ray parameter common image gathers (CIGs) can be generated after migration directly. The ray parameter CIGs can be used to justify the correctness of velocity models. Subsurface anisotropy effects can also be included in our imaging condition, provided with plane wave Green's functions in the anisotropic media.

  10. Joint inversion of body wave receiver function and Rayleigh wave ellipticity

    NASA Astrophysics Data System (ADS)

    Chong, J.; Ni, S.; Chu, R.

    2015-12-01

    In recent years, surface wave dispersion has been used to image lithospheric structure jointly with receiver function, or Rayleigh wave ellipticity (Julia et al., 2000; Lin et al., 2012). Because surface wave dispersion is the total propagation effect of the travel path, the joint inversion relies on dense seismic arrays or high seismicity to obtain local velocity structure. However, both receiver function and Rayleigh wave ellipticity are single station measurements with localized sensitivities and could be combined for joint inversion naturally. In this study we explored the feasibility of the joint inversion of Rayleigh wave ellipticity and receiver function. We performed sensitivity tests with forward modeling, and found that the receiver function is sensitive to sharp velocity interfaces but shows weak sensitivity to long wavelength structure, almost complementary to Rayleigh wave ellipticity. Therefore, joint inversion with two single-station measurements provides tighter constraints on the velocity structure beneath the seismic station. A joint inversion algorithm based on the Fast Simulated Annealing method is developed to invert Rayleigh wave ellipticity and receiver function for the lithospheric structure. Application of the algorithm to the Indian Craton and the Williston Basin in the United States demonstrates its effectiveness in reducing the non-uniqueness of the inversion. However, the joint inversion is not sensitive to average crustal velocity, suggesting the need to combine surface wave dispersion, receiver function and Rayleigh wave ellipticity to more accurately resolve the velocity structure. ReferenceJuliá, J., C. Ammon, R. Herrmann, and A. Correig, 2000. Joint inversion of receiver function and surface wave dispersion observations, Geophys. J. Int., 143(1), 99-112. Lin F.C., Schmandt B. and Tsai V.C., 2012. Joint inversion of Rayleigh wave phase velocity and ellipticity using USArray: constraining velocity and density structure in the upper

  11. Modular matrices from universal wave-function overlaps in Gutzwiller-projected parton wave functions

    NASA Astrophysics Data System (ADS)

    Mei, Jia-Wei; Wen, Xiao-Gang

    2015-03-01

    We implement the universal wave-function overlap (UWFO) method to extract modular S and T matrices for topological orders in Gutzwiller-projected parton wave functions (GPWFs). The modular S and T matrices generate a projective representation of S L (2 ,Z ) on the degenerate-ground-state Hilbert space on a torus and may fully characterize the 2+1D topological orders, i.e., the quasiparticle statistics and chiral central charge (up to E8 bosonic quantum Hall states). We use the variational Monte Carlo method to computed the S and T matrices of the chiral spin liquid (CSL) constructed by the GPWF on the square lattice, and we confirm that the CSL carries the same topological order as the ν =1/2 bosonic Laughlin state. We find that the nonuniversal exponents in the UWFO can be small, and direct numerical computation can be applied on relatively large systems. The UWFO may be a powerful method to calculate the topological order in GPWFs.

  12. Wave packet spreading and localization in electron-nuclear scattering

    NASA Astrophysics Data System (ADS)

    Markmann, Andreas; Grabowski*, P. E.; Morozov, I. V.; Valuev, I. A.; Fichtl, C. A.; Batista, V. S.; Graziani, F. R.; Murillo, M. S.; Cimarron Collaboration

    2013-10-01

    The wave packet molecular dynamics (WPMD) method solves the time-dependent Schrödinger equation via a variational approximation. Application to high-temperature dense plasmas has yielded diverging electron width (spreading) with diminished electron-nuclear interaction. This was previously ascribed to a shortcoming of WPMD and has been counteracted by heuristic additions to the model. We employ various methods to determine if spreading continues to be predicted. Single electron scattering on a periodic array of statically screened protons is used as a model problem for comparison via the numerically exact split operator Fourier transform method, the Wigner trajectory method, and the time-dependent variational principle (TDVP). Within the TDVP, we use as ansätze the standard form of WPMD, a single Gaussian wave packet (WP), as well as the split WP method, a linear combination of Gaussian WPs. Spreading is predicted by all methods, so is not the cause of unphysical diminishing interactions in WPMD. Instead, the Gaussian WP's inability to reproduce breakup of the density into fragments localized near ions is responsible for the deviation between methods. Hence, extensions of WPMD must include a mechanism for breakup. Authors contributed equally.

  13. Boundary conditions on internal three-body wave functions

    SciTech Connect

    Mitchell, Kevin A.; Littlejohn, Robert G.

    1999-10-01

    For a three-body system, a quantum wave function {Psi}{sub m}{sup {ell}} with definite {ell} and m quantum numbers may be expressed in terms of an internal wave function {chi}{sub k}{sup {ell}} which is a function of three internal coordinates. This article provides necessary and sufficient constraints on {chi}{sub k}{sup {ell}} to ensure that the external wave function {Psi}{sub k}{sup {ell}} is analytic. These constraints effectively amount to boundary conditions on {chi}{sub k}{sup {ell}} and its derivatives at the boundary of the internal space. Such conditions find similarities in the (planar) two-body problem where the wave function (to lowest order) has the form r{sup |m|} at the origin. We expect the boundary conditions to prove useful for constructing singularity free three-body basis sets for the case of nonvanishing angular momentum.

  14. Nonstandard jump functions for radially symmetric shock waves

    SciTech Connect

    Baty, Roy S.; Tucker, Don H.; Stanescu, Dan

    2008-10-01

    Nonstandard analysis is applied to derive generalized jump functions for radially symmetric, one-dimensional, magnetogasdynamic shock waves. It is assumed that the shock wave jumps occur on infinitesimal intervals, and the jump functions for the physical parameters occur smoothly across these intervals. Locally integrable predistributions of the Heaviside function are used to model the flow variables across a shock wave. The equations of motion expressed in nonconservative form are then applied to derive unambiguous relationships between the jump functions for the physical parameters for two families of self-similar flows. It is shown that the microstructures for these families of radially symmetric, magnetogasdynamic shock waves coincide in a nonstandard sense for a specified density jump function

  15. Nonstandard jump functions for radically symmetric shock waves

    SciTech Connect

    Baty, Roy S; Tucker, Don H; Stanescu, Dan

    2008-01-01

    Nonstandard analysis is applied to derive generalized jump functions for radially symmetric, one-dimensional, magnetogasdynamic shock waves. It is assumed that the shock wave jumps occur on infinitesimal intervals and the jump functions for the physical parameters occur smoothly across these intervals. Locally integrable predistributions of the Heaviside function are used to model the flow variables across a shock wave. The equations of motion expressed in nonconservative form are then applied to derive unambiguous relationships between the jump functions for the physical parameters for two families of self-similar flows. It is shown that the microstructures for these families of radially symmetric, magnetogasdynamic shock waves coincide in a nonstandard sense for a specified density jump function.

  16. Using local operator fluctuations to identify wave function improvements.

    PubMed

    Williams, Kiel T; Wagner, Lucas K

    2016-07-01

    A method is developed that allows analysis of quantum Monte Carlo simulations to identify errors in trial wave functions. The purpose of this method is to allow for the systematic improvement of variational wave functions by identifying degrees of freedom that are not well described by an initial trial state. We provide proof of concept implementations of this method by identifying the need for a Jastrow correlation factor and implementing a selected multideterminant wave function algorithm for small dimers that systematically decreases the variational energy. Selection of the two-particle excitations is done using the quantum Monte Carlo method within the presence of a Jastrow correlation factor and without the need to explicitly construct the determinants. We also show how this technique can be used to design compact wave functions for transition metal systems. This method may provide a route to analyze and systematically improve descriptions of complex quantum systems in a scalable way. PMID:27575232

  17. Using local operator fluctuations to identify wave function improvements

    NASA Astrophysics Data System (ADS)

    Williams, Kiel T.; Wagner, Lucas K.

    2016-07-01

    A method is developed that allows analysis of quantum Monte Carlo simulations to identify errors in trial wave functions. The purpose of this method is to allow for the systematic improvement of variational wave functions by identifying degrees of freedom that are not well described by an initial trial state. We provide proof of concept implementations of this method by identifying the need for a Jastrow correlation factor and implementing a selected multideterminant wave function algorithm for small dimers that systematically decreases the variational energy. Selection of the two-particle excitations is done using the quantum Monte Carlo method within the presence of a Jastrow correlation factor and without the need to explicitly construct the determinants. We also show how this technique can be used to design compact wave functions for transition metal systems. This method may provide a route to analyze and systematically improve descriptions of complex quantum systems in a scalable way.

  18. Multi-time wave functions for quantum field theory

    SciTech Connect

    Petrat, Sören; Tumulka, Roderich

    2014-06-15

    Multi-time wave functions such as ϕ(t{sub 1},x{sub 1},…,t{sub N},x{sub N}) have one time variable t{sub j} for each particle. This type of wave function arises as a relativistic generalization of the wave function ψ(t,x{sub 1},…,x{sub N}) of non-relativistic quantum mechanics. We show here how a quantum field theory can be formulated in terms of multi-time wave functions. We mainly consider a particular quantum field theory that features particle creation and annihilation. Starting from the particle–position representation of state vectors in Fock space, we introduce multi-time wave functions with a variable number of time variables, set up multi-time evolution equations, and show that they are consistent. Moreover, we discuss the relation of the multi-time wave function to two other representations, the Tomonaga–Schwinger representation and the Heisenberg picture in terms of operator-valued fields on space–time. In a certain sense and under natural assumptions, we find that all three representations are equivalent; yet, we point out that the multi-time formulation has several technical and conceptual advantages. -- Highlights: •Multi-time wave functions are manifestly Lorentz-covariant objects. •We develop consistent multi-time equations with interaction for quantum field theory. •We discuss in detail a particular model with particle creation and annihilation. •We show how multi-time wave functions are related to the Tomonaga–Schwinger approach. •We show that they have a simple representation in terms of operator valued fields.

  19. Structure of the number-projected BCS wave function

    NASA Astrophysics Data System (ADS)

    Dukelsky, J.; Pittel, S.; Esebbag, C.

    2016-03-01

    We study the structure of the number-projected BCS (PBCS) wave function in the particle-hole basis, displaying its similarities with coupled clusters theory (CCT). The analysis of PBCS together with several modifications suggested by the CCT wave function is carried out for the exactly solvable Richardson model involving a pure pairing Hamiltonian acting in a space of equally spaced, doubly degenerate levels. We point out the limitations of PBCS to describe the nonsuperconducting regime and suggest possible avenues for improvement.

  20. Calculation of electron wave functions and refractive index of Ne

    NASA Astrophysics Data System (ADS)

    Zhu, Min; Liu, Wei; Zhang, Tao

    2008-10-01

    The radial wave functions of inner electron shell and outer electron shell of a Ne atom were obtained by the approximate analytical method and tested by calculating the ground state energy of the Ne atom. The equivalent volume of electron cloud and the refractive index of Ne were calculated. The calculated refractive index agrees well with the experimental result. Relationship between the refractive index and the wave function of Ne was discovered.

  1. Plane-wave expansion of elliptic cylindrical functions

    NASA Astrophysics Data System (ADS)

    Santini, Carlo; Frezza, Fabrizio; Tedeschi, Nicola

    2015-08-01

    Elliptic Cylindrical Waves (ECW), defined as the product of an angular Mathieu function by its corresponding radial Mathieu function, occur in the solution of scattering problems involving two-dimensional structures with elliptic cross sections. In this paper, we explicitly derive the expansion of ECW, along a plane surface, in terms of homogeneous and evanescent plane waves, showing the accuracy of the numerical implementation of the formulas and discussing possible applications of the result.

  2. Correlated Strength in the Nuclear Spectral Function

    SciTech Connect

    D. Rohe; C. S. Armstrong; R. Asaturyan; O. K. Baker; S. Bueltmann; C. Carasco; D. Day; R. Ent; H. C. Fenker; K. Garrow; A. Gasparian; P. Gueye; M. Hauger; A. Honegger; J. Jourdan; C. E. Keppel; G. Kubon; R. Lindgren; A. Lung; D. J. Mack; J. H. Mitchell; H. Mkrtchyan; D. Mocelj; K. Normand; T. Petitjean; O. Rondon; E. Segbefia; I. Sick; S. Stepanyan; L. Tang; F. Tiefenbacher; W. F. Vulcan; G. Warren; S. A. Wood; L. Yuan; M. Zeier; H. Zhu; B. Zihlmann

    2004-10-01

    We have carried out an (e,ep) experiment at high momentum transfer and in parallel kinematics to measure the strength of the nuclear spectral function S(k,E) at high nucleon momenta k and large removal energies E. This strength is related to the presence of short-range and tensor correlations, and was known hitherto only indirectly and with considerable uncertainty from the lack of strength in the independent-particle region. This experiment locates by direct measurement the correlated strength predicted by theory.

  3. Improved variational wave functions for few-body nuclei

    SciTech Connect

    Wiringa, R.B.; Arriaga, A.; Pandharipande, V.R.

    1995-08-01

    We continued to work on improvements to our variational wave functions for use in Monte Carlo calculations of few-body nuclei. These trial functions include central, spin, isospin, tensor, and spin-orbit two-body correlations and three-body correlations for the three-nucleon potential. In the last two years we studied a variety of extra three-body correlations. Our search for possible forms was guided by comparisons made with 34-channel Faddeev wave functions provided by the Los Alamos-Iowa group. The new trial functions reduce the discrepancy with exact Faddeev calculations in {sup 3}H and Green`s Function Monte Carlo (GFMC) calculations in {sup 4}He by about 40%. This work is now being written up for publication. We hope to use similar comparisons with GFMC calculations in the six-body nuclei to find further improvements for the light p-shell nuclei, where the variational wave functions are not as good.

  4. The effect of meson wave function on heavy-quark fragmentation function

    NASA Astrophysics Data System (ADS)

    Moosavi Nejad, S. Mohammad

    2016-05-01

    We calculate the process-independent fragmentation functions (FFs) for a heavy quark to fragment into heavy mesons considering the effects of meson wave function. In all previous works, where the FFs of heavy mesons or heavy baryons were calculated, a delta function form was approximated for the wave function of hadrons. Here, for the first time, we consider a typical mesonic wave function which is different from the delta function and is the nonrelativistic limit of the solution of Bethe-Salpeter equation with the QCD kernel. We shall present our numerical results for the heavy FFs and show how the proposed wave function improves the previous results. As an example, we focus on the fragmentation function for c -quark to split into S -wave D^0 -meson and compare our results with experimental data from BELLE and CLEO.

  5. Perturbations in vibrational diatomic spectra: Factorization of the molecular wave function

    SciTech Connect

    Lefebvre, R.

    2015-02-21

    The coupling between two electronic states of a diatomic molecule may lead to an erratic behaviour of the associated vibrational energies. An example is the homogeneous coupling between the valence b′ state and the Rydberg c′ state of the N{sub 2} molecule, both of symmetry {sup 1}Σ{sub u}{sup +}. The standard treatment of such a situation is to write the wave function as a sum of two Born-Oppenheimer products. It has recently been argued [L. S. Cederbaum, J. Chem. Phys. 138, 224110 (2013); N. I. Gidopoulos and E. K. U. Gross, Philos. Trans. R. Soc., A 372, 20130059 (2014)] that even in such a case the wave function should be representable as a single product, with an electronic factor depending parametrically on nuclear positions and a nuclear factor. We setup such a representation in the case of the perturbations in the N{sub 2} molecule.

  6. Donor wave functions in Si gauged by STM images

    NASA Astrophysics Data System (ADS)

    Saraiva, A. L.; Salfi, J.; Bocquel, J.; Voisin, B.; Rogge, S.; Capaz, Rodrigo B.; Calderón, M. J.; Koiller, Belita

    2016-01-01

    The triumph of effective mass theory in describing the energy spectrum of dopants does not guarantee that the model wave functions will withstand an experimental test. Such wave functions have recently been probed by scanning tunneling spectroscopy, revealing localized patterns of resonantly enhanced tunneling currents. We show that the shape of the conducting splotches resembles a cut through Kohn-Luttinger (KL) hydrogenic envelopes, which modulate the interfering Bloch states of conduction electrons. All the nonmonotonic features of the current profile are consistent with the charge density fluctuations observed between successive {001 } atomic planes, including a counterintuitive reduction of the symmetry—a heritage of the lowered point group symmetry at these planes. A model-independent analysis of the diffraction figure constrains the value of the electron wave vector to k0=(0.82 ±0.03 ) (2 π /aSi) . Unlike prior measurements, averaged over a sizable density of electrons, this estimate is obtained directly from isolated electrons. We further investigate the model-specific anisotropy of the wave function envelope, related to the effective mass anisotropy. This anisotropy appears in the KL variational wave function envelope as the ratio between Bohr radii b /a . We demonstrate that the central-cell-corrected estimates for this ratio are encouragingly accurate, leading to the conclusion that the KL theory is a valid model not only for energies but for wave functions as well.

  7. Solutions of the Maxwell equations and photon wave functions

    SciTech Connect

    Mohr, Peter J.

    2010-03-15

    Properties of six-component electromagnetic field solutions of a matrix form of the Maxwell equations, analogous to the four-component solutions of the Dirac equation, are described. It is shown that the six-component equation, including sources, is invariant under Lorentz transformations. Complete sets of eigenfunctions of the Hamiltonian for the electromagnetic fields, which may be interpreted as photon wave functions, are given both for plane waves and for angular-momentum eigenstates. Rotationally invariant projection operators are used to identify transverse or longitudinal electric and magnetic fields. For plane waves, the velocity transformed transverse wave functions are also transverse, and the velocity transformed longitudinal wave functions include both longitudinal and transverse components. A suitable sum over these eigenfunctions provides a Green function for the matrix Maxwell equation, which can be expressed in the same covariant form as the Green function for the Dirac equation. Radiation from a dipole source and from a Dirac atomic transition current are calculated to illustrate applications of the Maxwell Green function.

  8. Adiabatic continuity, wave-function overlap, and topological phase transitions

    NASA Astrophysics Data System (ADS)

    Gu, Jiahua; Sun, Kai

    2016-09-01

    In this paper, we study the relation between wave-function overlap and adiabatic continuity in gapped quantum systems. We show that for two band insulators, a scalar function can be defined in the momentum space, which characterizes the wave-function overlap between Bloch states in the two insulators. If this overlap is nonzero for all momentum points in the Brillouin zone, these two insulators are adiabatically connected, i.e., we can deform one insulator into the other smoothly without closing the band gap. In addition, we further prove that this adiabatic path preserves all the symmetries of the insulators. The existence of such an adiabatic path implies that two insulators with nonzero wave-function overlap belong to the same topological phase. This relation, between adiabatic continuity and wave-function overlap, can be further generalized to correlated systems. The generalized relation cannot be applied to study generic many-body systems in the thermodynamic limit, because of the orthogonality catastrophe. However, for certain interacting systems (e.g., quantum Hall systems), the quantum wave-function overlap can be utilized to distinguish different quantum states. Experimental implications are also discussed.

  9. Expansion of X-ray form factor for close shell using uncorrelated wave function

    SciTech Connect

    AL-Robayi, Enas M.

    2013-12-16

    The atomic scattering factor has been studied for Be+ve, and B+2ve ions using the uncorrelated wave function (Hartree-Fock (HF)) for inter particle electronic shells. The physical importance of this factor appears in its relation to several important atomic properties as, the coherent scattering intensity, the total scattering intensity, the incoherent scattering function, the coherent scattering cross section, the total incoherent cross section, the nuclear magnetic shielding constant, the geometrical structure factor. Also there is one atomic properties the one particle radial density distribution function D(r)has been studied using the partitioning technique.

  10. New Insights into Mechanisms and Functions of Nuclear Size Regulation.

    PubMed

    Vuković, Lidija D; Jevtić, Predrag; Edens, Lisa J; Levy, Daniel L

    2016-01-01

    Nuclear size is generally maintained within a defined range in a given cell type. Changes in cell size that occur during cell growth, development, and differentiation are accompanied by dynamic nuclear size adjustments in order to establish appropriate nuclear-to-cytoplasmic volume relationships. It has long been recognized that aberrations in nuclear size are associated with certain disease states, most notably cancer. Nuclear size and morphology must impact nuclear and cellular functions. Understanding these functional implications requires an understanding of the mechanisms that control nuclear size. In this review, we first provide a general overview of the diverse cellular structures and activities that contribute to nuclear size control, including structural components of the nucleus, effects of DNA amount and chromatin compaction, signaling, and transport pathways that impinge on the nucleus, extranuclear structures, and cell cycle state. We then detail some of the key mechanistic findings about nuclear size regulation that have been gleaned from a variety of model organisms. Lastly, we review studies that have implicated nuclear size in the regulation of cell and nuclear function and speculate on the potential functional significance of nuclear size in chromatin organization, gene expression, nuclear mechanics, and disease. With many fundamental cell biological questions remaining to be answered, the field of nuclear size regulation is still wide open.

  11. Quantum Corral Wave-function Engineering

    NASA Astrophysics Data System (ADS)

    Correa, Alfredo; Reboredo, Fernando; Balseiro, Carlos

    2005-03-01

    We present a theoretical method for the design and optimization of quantum corrals[1] with specific electronic properties. Taking advantage that spins are subject to a RKKY interaction that is directly controlled by the scattering of the quantum corral, we design corral structures that reproduce spin Hamiltonians with coupling constants determined a priori[2]. We solve exactly the bi-dimensional scattering problem for each corral configuration within the s-wave approximation[3] and subsequently the geometry of the quantum corral is optimized by means of simulated annealing[4] and genetic algorithms[5]. We demonstrate the possibility of automatic design of structures with complicated target electronic properties[6]. This work was performed under the auspices of the US Department of Energy by the University of California at the LLNL under contract no W-7405-Eng-48. [1] M. F. Crommie, C. P. Lutz and D. M. Eigler, Nature 403, 512 (2000) [2] D. P. DiVincenzo et al., Nature 408, 339 (2000) [3] G. A. Fiete and E. J. Heller, Rev. Mod. Phys. 75, 933 (2003) [4] M. R. A. T. N. Metropolis et al., J. Chem. Phys. 1087 (1953) [5] E. Aarts and J. K. Lenstra, eds. Local search in combinatorial problems (Princeton University Press, 1997) [6] A. A. Correa, F. Reboredo and C. Balseiro, Phys. Rev. B (in press).

  12. Long-Period Seismic Waves from Nuclear Explosions in Various Environments.

    PubMed

    Oliver, J; Pomeroy, P; Ewing, M

    1960-06-17

    Large nuclear explosions in the solid earth, the hydrosphere, and the lower and upper atmosphere have generated seismic waves of periods greater than about 5 seconds which have been detected at great distances from the source.

  13. Analytic Beyond-Mean-Field BEC Wave Functions

    NASA Astrophysics Data System (ADS)

    Dunn, Martin; Laing, W. Blake; Watson, Deborah K.; Loeser, John G.

    2006-05-01

    We present analytic N-body beyond-mean-field wave functions for Bose-Einstein condensates. This extends our previous beyond-mean-field energy calculations to the substantially more difficult problem of determining correlated N-body wave functions for a confined system. The tools used to achieve this have been carefully chosen to maximize the use of symmetry and minimize the dependence on numerical computation. We handle the huge number of interactions when N is large (˜N^2/2 two-body interactions) by bringing together three theoretical methods. These are dimensional perturbation theory, the FG method of Wilson et al, and the group theory of the symmetric group. The wave function is then used to derive the density profile of a condensate in a cylindrical trap.This method makes no assumptions regarding the form or strength of the interactions and is applicable to both small-N and large-N systems.

  14. Experimental demonstration of a stimulated polarization wave in a chain of nuclear spins

    NASA Astrophysics Data System (ADS)

    Lee, Jae-Seung; Adams, Travis; Khitrin, A. K.

    2007-04-01

    A stimulated wave of polarization, which implements a simple mechanism of quantum amplification, is experimentally demonstrated in a chain of four J-coupled nuclear spins, irradiated by a weak radio-frequency transverse field. The 'quantum domino' dynamics, a wave of flipped spins triggered by a flip of the first spin, has been observed in fully 13C-labelled sodium butyrate.

  15. Wave propagation of functionally graded material plates in thermal environments.

    PubMed

    Sun, Dan; Luo, Song-Nan

    2011-12-01

    The wave propagation of an infinite functionally graded plate in thermal environments is studied using the higher-order shear deformation plate theory. The thermal effects and temperature-dependent material properties are both taken into account. The temperature field considered is assumed to be a uniform distribution over the plate surface and varied in the thickness direction only. Material properties are assumed to be temperature-dependent, and graded in the thickness direction according to a simple power law distribution in terms of the volume fractions of the constituents. Considering the effects of transverse shear deformation and rotary inertia, the governing equations of the wave propagation in the functionally graded plate are derived by using the Hamilton's principle. The analytic dispersion relation of the functionally graded plate is obtained by solving an eigenvalue problem. Numerical examples show that the characteristics of wave propagation in the functionally graded plate are relates to the volume fraction index and thermal environment of the functionally graded plate. The influences of the volume fraction distributions and temperature on wave propagation of functionally graded plate are discussed in detail. The results carried out can be used in the ultrasonic inspection techniques and structural health monitoring.

  16. Embedding beyond electrostatics—The role of wave function confinement

    NASA Astrophysics Data System (ADS)

    Nâbo, Lina J.; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna; Solanko, Lukasz M.; Wüstner, Daniel; Kongsted, Jacob

    2016-09-01

    We study excited states of cholesterol in solution and show that, in this specific case, solute wave-function confinement is the main effect of the solvent. This is rationalized on the basis of the polarizable density embedding scheme, which in addition to polarizable embedding includes non-electrostatic repulsion that effectively confines the solute wave function to its cavity. We illustrate how the inclusion of non-electrostatic repulsion results in a successful identification of the intense π → π∗ transition, which was not possible using an embedding method that only includes electrostatics. This underlines the importance of non-electrostatic repulsion in quantum-mechanical embedding-based methods.

  17. Evolution of wave function in a dissipative system

    NASA Technical Reports Server (NTRS)

    Yu, Li-Hua; Sun, Chang-Pu

    1994-01-01

    For a dissipative system with Ohmic friction, we obtain a simple and exact solution for the wave function of the system plus the bath. It is described by the direct product in two independent Hilbert space. One of them is described by an effective Hamiltonian, the other represents the effect of the bath, i.e., the Brownian motion, thus clarifying the structure of the wave function of the system whose energy is dissipated by its interaction with the bath. No path integral technology is needed in this treatment. The derivation of the Weisskopf-Wigner line width theory follows easily.

  18. Surface acoustic wave depth profiling of a functionally graded material

    SciTech Connect

    Goossens, Jozefien; Leclaire, Philippe; Xu Xiaodong; Glorieux, Christ; Martinez, Loic; Sola, Antonella; Siligardi, Cristina; Cannillo, Valeria; Van der Donck, Tom; Celis, Jean-Pierre

    2007-09-01

    The potential and limitations of Rayleigh wave spectroscopy to characterize the elastic depth profile of heterogeneous functional gradient materials are investigated by comparing simulations of the surface acoustic wave dispersion curves of different profile-spectrum pairs. This inverse problem is shown to be quite ill posed. The method is then applied to extract information on the depth structure of a glass-ceramic (alumina) functionally graded material from experimental data. The surface acoustic wave analysis suggests the presence of a uniform coating region consisting of a mixture of Al{sub 2}O{sub 3} and glass, with a sharp transition between the coating and the substrate. This is confirmed by scanning electron microscope with energy dispersive x-ray analysis.

  19. Source Time Function of P-wave Acceleration

    NASA Astrophysics Data System (ADS)

    Chen, K. J.

    2015-12-01

    In this study, the site effect of time function of the Taiwan area will be invested. The recorded response function of a single earthquake will be calculated by Complex Demodulation. The path effect of each event-station pair will be estimated by using the forward method with a 3-D attenuation structure. After removing the path effect, the source frequency function of each single event will be obtained by averaging the whole station gotten. Using this source time function to calculate the path effect of the all stations, the theoretic received time frequency function can be obtained. The difference between this theoretic function and the recorded function is the site effect function of the single station. The characterics of the site effect in Taiwan area will be analyzed. Recalculate the path effect and remove the site effect of each station to get the new source time function of P-wave acceleration.

  20. Wave Function Arbitrariness of Noninteracting Fermion Model in Quantal Density Functional Theory^1(QDFT)

    NASA Astrophysics Data System (ADS)

    Slamet, Marlina; Sahni, Viraht

    2006-03-01

    In the QDFT mapping from a ground or excited state of the interacting system to one of noninteracting fermions in a particular excited state with equivalent density, there is an arbitrariness in the wave function of the model system. For example, in the case of a two-electron atom, the mapping to the excited singlet 2^1S state of the model system, there are three wave functions that lead to the same density: two single Slater determinants of the orbitals that are eigen functions of only Sz, and a linear combination of Slater determinants of these orbitals that is an eigen function of both Sz and S^2. Neither of the wave functions is more appropriate than the other, since all three wave functions deliver the same density. However, based on the choice of wave function, the structure of the corresponding Fermi and Coulomb holes, and therefore the values of the resulting Pauli and Coulomb correlation energies, will differ. Their sum, the Fermi-Coulomb holes, and the Pauli-Coulomb energy, remains unchanged. The wave function arbitrariness will be demonstrated via the Hooke's atom.1 Quantal Density Functional Theory, V. Sahni (Springer-Verlag, 2004).

  1. Simulation of wind wave growth with reference source functions

    NASA Astrophysics Data System (ADS)

    Badulin, Sergei I.; Zakharov, Vladimir E.; Pushkarev, Andrei N.

    2013-04-01

    We present results of extensive simulations of wind wave growth with the so-called reference source function in the right-hand side of the Hasselmann equation written as follows First, we use Webb's algorithm [8] for calculating the exact nonlinear transfer function Snl. Second, we consider a family of wind input functions in accordance with recent consideration [9] ( )s S = ?(k)N , ?(k) = ? ? ?- f (?). in k 0 ?0 in (2) Function fin(?) describes dependence on angle ?. Parameters in (2) are tunable and determine magnitude (parameters ?0, ?0) and wave growth rate s [9]. Exponent s plays a key role in this study being responsible for reference scenarios of wave growth: s = 4-3 gives linear growth of wave momentum, s = 2 - linear growth of wave energy and s = 8-3 - constant rate of wave action growth. Note, the values are close to ones of conventional parameterizations of wave growth rates (e.g. s = 1 for [7] and s = 2 for [5]). Dissipation function Sdiss is chosen as one providing the Phillips spectrum E(?) ~ ?5 at high frequency range [3] (parameter ?diss fixes a dissipation scale of wind waves) Sdiss = Cdissμ4w?N (k)θ(? - ?diss) (3) Here frequency-dependent wave steepness μ2w = E(?,?)?5-g2 makes this function to be heavily nonlinear and provides a remarkable property of stationary solutions at high frequencies: the dissipation coefficient Cdiss should keep certain value to provide the observed power-law tails close to the Phillips spectrum E(?) ~ ?-5. Our recent estimates [3] give Cdiss ? 2.0. The Hasselmann equation (1) with the new functions Sin, Sdiss (2,3) has a family of self-similar solutions of the same form as previously studied models [1,3,9] and proposes a solid basis for further theoretical and numerical study of wave evolution under action of all the physical mechanisms: wind input, wave dissipation and nonlinear transfer. Simulations of duration- and fetch-limited wind wave growth have been carried out within the above model setup to check its

  2. How close can we get waves to wave functions, including potential?

    NASA Astrophysics Data System (ADS)

    Faletič, Sergej

    2016-05-01

    In the following article we show that mechanical waves on a braced string can have the same shapes as important wave functions in introductory quantum mechanics. A braced string is a string with additional transversal springs that serve as external "potential". The aim is not to suggest teaching quantum mechanics with these analogies. Instead, the aim is to provide students with some additional relevant experience in wave mechanics before they are introduced to quantum mechanics. We show how this experience can be used in a constructivist sense as the basis for building quantum concepts. We consider energy transfer along such string and show that penetration of a wave into a region with high "potential" is not unexpected. We also consider energy transfer between two such strings and show that it can appear point-like even though the wave is an extended object. We also suggest that applying quantization of energy transfer to wave phenomena can explain some of the more difficult to accept features of quantum mechanics.

  3. Crustal structure of North Dakota from joint inversion of surface wave dispersion and teleseismic P-wave reciever functions

    NASA Astrophysics Data System (ADS)

    Walsh, Braden Michael

    Studying and determining crustal structure of the Earth is important for understanding the interior of the Earth. Using methods like receiver functions and surface wave dispersion allows the determination of differences in structure and composition through the crust. Jointly inverting receiver functions and surface wave dispersion reduces the error and over-interpretation of the crustal structure estimation. Receiver functions and surface wave dispersion invert well together because receiver functions are very sensitive to velocity contrasts and vertical travel times, and surface wave dispersion is sensitive to average velocity and insensitive to sharp velocity contrasts. By jointly inverting receiver functions and surface wave dispersion, shear wave velocity profiles can be created to determine the properties of the crustal structure and velocity contrasts. With the use of IRIS Transportable Array stations data throughout the United States, this thesis takes a closer look at the crustal structure of North Dakota through the joint inversion of surface wave dispersion and teleseismic P-wave receiver functions. The receiver functions in North Dakota show shallow sediment effects that affect the joint inversion process. In western North Dakota the Williston basin and in eastern North Dakota the Red River Valley cause ringing effects in the receiver functions. The shallow sediments in North Dakota control and overpower the rest of the crustal signal in the receiver functions, and thus affect the ability of determining the crustal shear wave velocity structure of North Dakota through the joint inversion of receiver functions and surface wave dispersion, thus the use of background geology is necessary.

  4. Evaluation techniques for Gutzwiller wave functions in finite dimensions

    NASA Astrophysics Data System (ADS)

    Kaczmarczyk, Jan; Schickling, Tobias; Bünemann, Jörg

    2015-09-01

    We give a comprehensive introduction into a diagrammatic method that allows for the evaluation of Gutzwiller wave functions in finite spatial dimensions. We discuss in detail some numerical schemes that turned out to be useful in the real-space evaluation of the diagrams. The method is applied to the problem of d-wave superconductivity in a two-dimensional single-band Hubbard model. Here, we discuss in particular the role of long-range contributions in our diagrammatic expansion. We further reconsider our previous analysis on the kinetic energy gain in the superconducting state.

  5. The ``primitive'' wave function in the theory of intermolecular interactions

    NASA Astrophysics Data System (ADS)

    Kutzelnigg, Werner

    1980-07-01

    The concept of the primitive wave function for a supermolecule consisting of interacting subsystems is critically analyzed. The distinction between formal and genuine primitive functions is stressed. The concept of uniformly complete basis sets as contrasted to simply complete basis is introduced. Primitive basis sets are defined and shown not to be uniformly complete for the expansion of the supersystem wave function while 'full supersystem basis sets' are. The conditions are specified under which a supersystem wave function can be decomposed into its 'primitive components' corresponding to different partitions of the electrons among the subsystems. These primitive components satisfy the Schrödinger equation asymptotically. The matrix representation of the Hamiltonian (both the full supersystem Hamiltonian H and the zeroth order Hamiltonian Ho) in terms of these partitions is analyzed. It is shown that in the standard application of RS-perturbation theory to intermolecular forces (the polarization approximation) the limiting processes λ→1 and R→∞ do not commute, that the λ-series is not uniformly convergent with respect to R and that the wave function to any finite order in λ is genuinely primitive. The symmetrized polarization approximation is justified for the 'coasymptotic ground state' in certain cases and a 'symmetrized polarization approximation with shifted eigenvalues' is proposed that connects the lowest eigenvalue of Ho with the physical ground state. A justification of simplified schemes in the region of 'small exchange' is given and alternative perturbation schemes are discussed. Finally the use of the primitive function in variational treatments is outlined. One advantage is that a genuinely (not a formally) primitive function is uniformly expandable in a primitive basis set.

  6. Second-order corrections to the wave function at the origin in muonic hydrogen and pionium

    SciTech Connect

    Ivanov, Vladimir G.; Korzinin, Evgeny Yu.; Karshenboim, Savely G.

    2009-07-15

    Nonrelativistic second-order corrections to the wave function at the origin in muonic and exotic atoms are considered. The corrections are due to the electronic vacuum polarization. Such corrections are of interest due to various effective approaches, which take into account QED and hadronic effects. The wave function at the origin plays a key role in the calculation of the pionium lifetime, various finite nuclear size effects, and the hyperfine splitting. The results are obtained for the 1s and 2s states in pionic and muonic hydrogen and deuterium and in pionium, a bound system of {pi}{sup +} and {pi}{sup -}. Applications to the hyperfine structure and the Lamb shift in muonic hydrogen are also considered.

  7. Reflection and Diffraction Phenomena of Blast Wave Propagation in Nuclear Fuel Cycle Facility

    NASA Astrophysics Data System (ADS)

    Miura, Akihiko; Matsuo, Akiko; Mizukaki, Toshiharu; Shiraishi, Takuya; Utsunomiya, Go; Takayama, Kazuyoshi; Nojiri, Ichiro

    This paper presents the results of an optical experiment which is carried out to measure the pressure and to observe the wave propagations when an explosion occurs in a model of a nuclear facility for preventing and mitigating the serious damage of nuclear facility. Numerical simulation is also performed to compare the phenomena in a model of nuclear facility. Nuclear facility is simulated as the several closed rooms in these experiments and simulations, because the nuclear facility is composed of many closed rooms. As a result, typical tendencies of pressure history are obtained, and it is confirmed that the explosion which occurs in a closed space is reflected in the complexity at the walls and interfered mutually with progressing waves. Finally, experimental results are compared with a numerical simulation. It is confirmed that the results of a numerical simulation show a good agreement with experimental results.

  8. Local properties of three-body atomic wave functions

    SciTech Connect

    Krivec, R.; Mandelzweig, V. B.; Varga, K.

    2000-06-01

    The local properties and accuracy of the positronium negative-ion (Ps{sup -}) ground-state wave functions obtained by the stochastic variational method (SVM) and by direct solution of the Schroedinger equation with the help of the correlation-function hyperspherical-harmonic method (CFHHM) are studied and compared. Though the energy, calculated by both methods, agrees to up to ten digits, the amplitudes of the values of the operator D=H{psi}/E{psi}-1, characterizing local deviation of the wave function from its true value, in all of the coordinate space in the SVM are consistently larger (by up to five orders of magnitude) than in the CFHHM, despite the fact that the SVM observables except <{delta}(r{sub k})> converge to significantly more digits than the CFHHM observables for their respective selected bases. (c) 2000 The American Physical Society.

  9. Quantification of Uncertainties in Nuclear Density Functional Theory

    SciTech Connect

    Schunck, N.; McDonnell, J.D.; Higdon, D.; Sarich, J.; Wild, S.

    2015-01-15

    Reliable predictions of nuclear properties are needed as much to answer fundamental science questions as in applications such as reactor physics or data evaluation. Nuclear density functional theory is currently the only microscopic, global approach to nuclear structure that is applicable throughout the nuclear chart. In the past few years, a lot of effort has been devoted to setting up a general methodology to assess theoretical uncertainties in nuclear DFT calculations. In this paper, we summarize some of the recent progress in this direction. Most of the new material discussed here will be be published in separate articles.

  10. Resonating valence bond wave functions and classical interacting dimer models.

    PubMed

    Damle, Kedar; Dhar, Deepak; Ramola, Kabir

    2012-06-15

    We relate properties of nearest-neighbor resonating valence-bond (NNRVB) wave functions for SU(g) spin systems on two-dimensional bipartite lattices to those of fully packed interacting classical dimer models on the same lattice. The interaction energy can be expressed as a sum of n-body potentials V(n), which are recursively determined from the NNRVB wave function on finite subgraphs of the original lattice. The magnitude of the n-body interaction V(n) (n>1) is of order O(g(-(n-1))) for small g(-1). The leading term is a two-body nearest-neighbor interaction V2(g) favoring two parallel dimers on elementary plaquettes. For SU(2) spins, using our calculated value of V2(g=2), we find that the long-distance behavior of the bond-energy correlation function is dominated by an oscillatory term that decays as 1/|r|α with α≈1.22. This result is in remarkable quantitative agreement with earlier direct numerical studies of the corresponding wave function, which give α≈1.20. PMID:23004328

  11. Characteristics of acoustic wave from atmospheric nuclear explosions conducted at the USSR Test Sites

    NASA Astrophysics Data System (ADS)

    Sokolova, Inna

    2015-04-01

    Availability of the acoustic wave on the record of microbarograph is one of discriminate signs of atmospheric (surface layer of atmosphere) and contact explosions. Nowadays there is large number of air wave records from chemical explosions recorded by the IMS infrasound stations installed during recent decade. But there is small number of air wave records from nuclear explosions as air and contact nuclear explosions had been conducted since 1945 to 1962, before the Limited Test Ban Treaty was signed in 1963 (the treaty banning nuclear weapon tests in the atmosphere, in outer space and under water) by the Great Britain, USSR and USA. That time there was small number of installed microbarographs. First infrasound stations in the USSR appeared in 1954, and by the moment of the USSR collapse the network consisted of 25 infrasound stations, 3 of which were located on Kazakhstan territory - in Kurchatov (East Kazakhstan), in Borovoye Observatory (North Kazakhstan) and Talgar Observatory (Northern Tien Shan). The microbarograph of Talgar Observatory was installed in 1962 and recorded large number of air nuclear explosions conducted at Semipalatinsk Test Site and Novaya Zemlya Test Site. The epicentral distance to the STS was ~700 km, and to Novaya Zemlya Test Site ~3500 km. The historical analog records of the microbarograph were analyzed on the availability of the acoustic wave. The selected records were digitized, the database of acoustic signals from nuclear explosions was created. In addition, acoustic signals from atmospheric nuclear explosions conducted at the USSR Test Sites were recorded by analogue broadband seismic stations at wide range of epicentral distances, 300-3600 km. These signals coincide well by its form and spectral content with records of microbarographs and can be used for monitoring tasks and discrimination in places where infrasound observations are absent. Nuclear explosions which records contained acoustic wave were from 0.03 to 30 kt yield for

  12. Source functions of nuclear explosions from spectral synthesis and inversion. Scientific report No. 1

    SciTech Connect

    Puster, P.; Jordan, T.H.

    1996-11-20

    We apply methods for the recovery of the frequency dependent moment rate tensor, M(w), to the study of Lop Nor nuclear explosions. This approach encompasses many source parameter diagnostics that have been traditionally used to discriminate nuclear explosions from chemical explosions and earthquakes and has the potential to provide new discrimination tools. We parameterize the source as M(w) = M1(a) + MD(a), where M1(co) and MD(O) are isotropic and deviatoric components, respectively. Our goal is to quantify both isotropic and deviatoric components, and investigate the different contributions to MD(a), in particular the tectonic release. Since tectonic release can bias estimates of M1(o) and may limit discrimination capabilities of sparse networks, it is important to be able to characterize the amount of tectonic release - in particular as a function of frequency. Our approach uses synthetic seismograms to improve the localization of signal measurements in both time and frequency domains. We adapt our earthquake-source inversion algorithms to account for isotropic sources at very shallow depths. We test our algorithms using a synthetic case with a known moment-tensor source composed in equal parts of isotropic and deviatoric sources; we successfully recover both MD and M using body waves and surface waves on horizontal and vertical components. We apply our methods to a data set containing both SH and Love waves as well as the body-wave portion between P and R1 and the minor-arc Rayleigh waves from the 92/5/21 Chinese nuclear test. We recover a significant tectonic release component for this event; the deviatoric moment tensor is a dip-slip reverse fault with a scalar moment MD = 1.9 +/- 0.2 x 10(17) Nm. The strike of the best-fitting double-couple is 320 deg. The source-time function derived from SH-polarized waves shows some complexity, with a sharp pulse i.

  13. Configuration interaction wave functions: A seniority number approach

    SciTech Connect

    Alcoba, Diego R.; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E.; Oña, Ofelia B.

    2014-06-21

    This work deals with the configuration interaction method when an N-electron Hamiltonian is projected on Slater determinants which are classified according to their seniority number values. We study the spin features of the wave functions and the size of the matrices required to formulate states of any spin symmetry within this treatment. Correlation energies associated with the wave functions arising from the seniority-based configuration interaction procedure are determined for three types of molecular orbital basis: canonical molecular orbitals, natural orbitals, and the orbitals resulting from minimizing the expectation value of the N-electron seniority number operator. The performance of these bases is analyzed by means of numerical results obtained from selected N-electron systems of several spin symmetries. The comparison of the results highlights the efficiency of the molecular orbital basis which minimizes the mean value of the seniority number for a state, yielding energy values closer to those provided by the full configuration interaction procedure.

  14. Measurement and Shaping of Biphoton Spectral Wave Functions.

    PubMed

    Tischler, N; Büse, A; Helt, L G; Juan, M L; Piro, N; Ghosh, J; Steel, M J; Molina-Terriza, G

    2015-11-01

    In this work we present a simple method to reconstruct the complex spectral wave function of a biphoton, and hence gain complete information about the spectral and temporal properties of a photon pair. The technique, which relies on quantum interference, is applicable to biphoton states produced with a monochromatic pump when a shift of the pump frequency produces a shift in the relative frequencies contributing to the biphoton. We demonstrate an example of such a situation in type-II parametric down conversion allowing arbitrary paraxial spatial pump and detection modes. Moreover, our test cases demonstrate the possibility to shape the spectral wave function. This is achieved by choosing the spatial mode of the pump and of the detection modes, and takes advantage of spatiotemporal correlations.

  15. Singlet Mott state simulating the bosonic Laughlin wave function

    NASA Astrophysics Data System (ADS)

    Lian, Biao; Zhang, Shoucheng

    2014-01-01

    We study properties of a class of spin-singlet Mott states for arbitrary spin S bosons on a lattice, with particle number per cite n =S/l+1, where l is a positive integer. We show that such a singlet Mott state can be mapped to a bosonic Laughlin wave function on a sphere with a finite number of particles at filling ν =1/2l. Spin, particle, and hole excitations in the Mott state are discussed, among which the hole excitation can be mapped to the quasihole of the bosonic Laughlin wave function. We show that this singlet Mott state can be realized in a cold-atom system on an optical lattice and can be identified using Bragg spectroscopy and Stern-Gerlach techniques. This class of singlet Mott states may be generalized to map to bosonic Laughlin states with filling ν =q/2l.

  16. Singlet Mott State Simulating the Bosonic Laughlin Wave Function

    NASA Astrophysics Data System (ADS)

    Lian, Biao; Zhang, Shou-Cheng

    2014-03-01

    We study properties of a class of spin singlet Mott states for arbitrary spin S bosons on a lattice, with particle number per cite n = S / l + 1 , where l is a positive integer. We show that such a singlet Mott state can be mapped to a bosonic Laughlin wave function on the sphere with a finite number of particles at filling ν = 1 / 2 l . Bosonic spinons, particle and hole excitations in the Mott state are discussed, among which the hole excitation can be mapped to the quasi-hole of the bosonic Laughlin wave function. We show that this singlet Mott state can be realized in a cold atom system on optical lattice, and can be identified using Bragg spectroscopy and Stern-Gerlach techniques. This class of singlet Mott states may be generalized to simulate bosonic Laughlin states with filling ν = q / 2 l .

  17. Embedding beyond electrostatics-The role of wave function confinement.

    PubMed

    Nåbo, Lina J; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna; Solanko, Lukasz M; Wüstner, Daniel; Kongsted, Jacob

    2016-09-14

    We study excited states of cholesterol in solution and show that, in this specific case, solute wave-function confinement is the main effect of the solvent. This is rationalized on the basis of the polarizable density embedding scheme, which in addition to polarizable embedding includes non-electrostatic repulsion that effectively confines the solute wave function to its cavity. We illustrate how the inclusion of non-electrostatic repulsion results in a successful identification of the intense π → π(∗) transition, which was not possible using an embedding method that only includes electrostatics. This underlines the importance of non-electrostatic repulsion in quantum-mechanical embedding-based methods. PMID:27634246

  18. No-boundary wave function for two-field inflation

    NASA Astrophysics Data System (ADS)

    Hwang, Dong-il; Kim, Soo A.; Yeom, Dong-han

    2015-06-01

    In this paper, we investigate the no-boundary wave function and the complex-valued instantons for two-field inflation models that have different masses. If there is a relatively massive direction, to classicalize the massive field, the solution should start from the slow direction with relatively larger vacuum energy. Therefore, the existence of the massive direction implies the increase of expected e-foldings. The most probable e-foldings are approximately N≃ {{({{m}2}/{{m}1})}2}× O(1) in the {{m}1}\\ll {{m}2} limit. Therefore, as long as there is a sufficient mass hierarchy, the no-boundary wave function can reasonably explain large e-foldings, so to speak, more than 50 e-foldings.

  19. Tissue specificity in the nuclear envelope supports its functional complexity

    PubMed Central

    de las Heras, Jose I; Meinke, Peter; Batrakou, Dzmitry G; Srsen, Vlastimil; Zuleger, Nikolaj; Kerr, Alastair RW; Schirmer, Eric C

    2013-01-01

    Nuclear envelope links to inherited disease gave the conundrum of how mutations in near-ubiquitous proteins can yield many distinct pathologies, each focused in different tissues. One conundrum-resolving hypothesis is that tissue-specific partner proteins mediate these pathologies. Such partner proteins may have now been identified with recent proteome studies determining nuclear envelope composition in different tissues. These studies revealed that the majority of the total nuclear envelope proteins are tissue restricted in their expression. Moreover, functions have been found for a number these tissue-restricted nuclear envelope proteins that fit with mechanisms proposed to explain how the nuclear envelope could mediate disease, including defects in mechanical stability, cell cycle regulation, signaling, genome organization, gene expression, nucleocytoplasmic transport, and differentiation. The wide range of functions to which these proteins contribute is consistent with not only their involvement in tissue-specific nuclear envelope disease pathologies, but also tissue evolution. PMID:24213376

  20. Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

    NASA Technical Reports Server (NTRS)

    Huang, K.-N.

    1977-01-01

    A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

  1. Nuclear effects in the deuteron structure function

    NASA Astrophysics Data System (ADS)

    Epele, L. N.; Fanchiotti, H.; Canal, C. A. García; Sassot, R.

    1992-08-01

    An analysis of nuclear effects in the deuteron quark distributions is carried out in connection with the Gottfried sum rule (GSR), the Drell-Yan proton-neutron asymmetry and the Bjorken sum rule (BSR). It is shown that the small amount of nuclear effects necessary to saturate the GSR experimental data modifies the Drell-Yan asymmetry in an entirely different way as an asymmetric sea does. These effects are of little consequence in the convergence of the BSR to the expected value.

  2. Lamins: nuclear intermediate filament proteins with fundamental functions in nuclear mechanics and genome regulation.

    PubMed

    Gruenbaum, Yosef; Foisner, Roland

    2015-01-01

    Lamins are intermediate filament proteins that form a scaffold, termed nuclear lamina, at the nuclear periphery. A small fraction of lamins also localize throughout the nucleoplasm. Lamins bind to a growing number of nuclear protein complexes and are implicated in both nuclear and cytoskeletal organization, mechanical stability, chromatin organization, gene regulation, genome stability, differentiation, and tissue-specific functions. The lamin-based complexes and their specific functions also provide insights into possible disease mechanisms for human laminopathies, ranging from muscular dystrophy to accelerated aging, as observed in Hutchinson-Gilford progeria and atypical Werner syndromes.

  3. Computational aspects of the continuum quaternionic wave functions for hydrogen

    SciTech Connect

    Morais, J.

    2014-10-15

    Over the past few years considerable attention has been given to the role played by the Hydrogen Continuum Wave Functions (HCWFs) in quantum theory. The HCWFs arise via the method of separation of variables for the time-independent Schrödinger equation in spherical coordinates. The HCWFs are composed of products of a radial part involving associated Laguerre polynomials multiplied by exponential factors and an angular part that is the spherical harmonics. In the present paper we introduce the continuum wave functions for hydrogen within quaternionic analysis ((R)QHCWFs), a result which is not available in the existing literature. In particular, the underlying functions are of three real variables and take on either values in the reduced and full quaternions (identified, respectively, with R{sup 3} and R{sup 4}). We prove that the (R)QHCWFs are orthonormal to one another. The representation of these functions in terms of the HCWFs are explicitly given, from which several recurrence formulae for fast computer implementations can be derived. A summary of fundamental properties and further computation of the hydrogen-like atom transforms of the (R)QHCWFs are also discussed. We address all the above and explore some basic facts of the arising quaternionic function theory. As an application, we provide the reader with plot simulations that demonstrate the effectiveness of our approach. (R)QHCWFs are new in the literature and have some consequences that are now under investigation.

  4. Wave function for harmonically confined electrons in time-dependent electric and magnetostatic fields

    SciTech Connect

    Zhu, Hong-Ming; Chen, Jin-Wang; Pan, Xiao-Yin; Sahni, Viraht

    2014-01-14

    We derive via the interaction “representation” the many-body wave function for harmonically confined electrons in the presence of a magnetostatic field and perturbed by a spatially homogeneous time-dependent electric field—the Generalized Kohn Theorem (GKT) wave function. In the absence of the harmonic confinement – the uniform electron gas – the GKT wave function reduces to the Kohn Theorem wave function. Without the magnetostatic field, the GKT wave function is the Harmonic Potential Theorem wave function. We further prove the validity of the connection between the GKT wave function derived and the system in an accelerated frame of reference. Finally, we provide examples of the application of the GKT wave function.

  5. Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach

    SciTech Connect

    Hyeon-Deuk, Kim; Ando, Koji

    2014-05-07

    Liquid para-hydrogen (p-H{sub 2}) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H{sub 2}. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computational cost, by which basic experimental properties of p-H{sub 2} liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.

  6. Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach.

    PubMed

    Hyeon-Deuk, Kim; Ando, Koji

    2014-05-01

    Liquid para-hydrogen (p-H2) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H2. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computational cost, by which basic experimental properties of p-H2 liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.

  7. Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach

    NASA Astrophysics Data System (ADS)

    Hyeon-Deuk, Kim; Ando, Koji

    2014-05-01

    Liquid para-hydrogen (p-H2) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H2. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computational cost, by which basic experimental properties of p-H2 liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.

  8. Love wave propagation in functionally graded piezoelectric material layer.

    PubMed

    Du, Jianke; Jin, Xiaoying; Wang, Ji; Xian, Kai

    2007-03-01

    An exact approach is used to investigate Love waves in functionally graded piezoelectric material (FGPM) layer bonded to a semi-infinite homogeneous solid. The piezoelectric material is polarized in z-axis direction and the material properties change gradually with the thickness of the layer. We here assume that all material properties of the piezoelectric layer have the same exponential function distribution along the x-axis direction. The analytical solutions of dispersion relations are obtained for electrically open or short circuit conditions. The effects of the gradient variation of material constants on the phase velocity, the group velocity, and the coupled electromechanical factor are discussed in detail. The displacement, electric potential, and stress distributions along thickness of the graded layer are calculated and plotted. Numerical examples indicate that appropriate gradient distributing of the material properties make Love waves to propagate along the surface of the piezoelectric layer, or a bigger electromechanical coupling factor can be obtained, which is in favor of acquiring a better performance in surface acoustic wave (SAW) devices.

  9. Relations among several nuclear and electronic density functional reactivity indexes

    NASA Astrophysics Data System (ADS)

    Torrent-Sucarrat, Miquel; Luis, Josep M.; Duran, Miquel; Toro-Labbé, Alejandro; Solà, Miquel

    2003-11-01

    An expansion of the energy functional in terms of the total number of electrons and the normal coordinates within the canonical ensemble is presented. A comparison of this expansion with the expansion of the energy in terms of the total number of electrons and the external potential leads to new relations among common density functional reactivity descriptors. The formulas obtained provide explicit links between important quantities related to the chemical reactivity of a system. In particular, the relation between the nuclear and the electronic Fukui functions is recovered. The connection between the derivatives of the electronic energy and the nuclear repulsion energy with respect to the external potential offers a proof for the "Quantum Chemical le Chatelier Principle." Finally, the nuclear linear response function is defined and the relation of this function with the electronic linear response function is given.

  10. Decommissioning nuclear power plants - the wave of the future

    SciTech Connect

    Griggs, F.S. Jr.

    1994-12-31

    The paper discusses the project controls developed in the decommissioning of a nuclear power plant. Considerations are given to the contaminated piping and equipment that have to be removed and the spent and used fuel that has to be disposed of. The storage issue is of primary concern here. The cost control aspects and the dynamics of decommissioning are discussed. The effects of decommissioning laws on the construction and engineering firms are mentioned. 5 refs.

  11. Nuclear pore proteins and the control of genome functions

    PubMed Central

    Ibarra, Arkaitz

    2015-01-01

    Nuclear pore complexes (NPCs) are composed of several copies of ∼30 different proteins called nucleoporins (Nups). NPCs penetrate the nuclear envelope (NE) and regulate the nucleocytoplasmic trafficking of macromolecules. Beyond this vital role, NPC components influence genome functions in a transport-independent manner. Nups play an evolutionarily conserved role in gene expression regulation that, in metazoans, extends into the nuclear interior. Additionally, in proliferative cells, Nups play a crucial role in genome integrity maintenance and mitotic progression. Here we discuss genome-related functions of Nups and their impact on essential DNA metabolism processes such as transcription, chromosome duplication, and segregation. PMID:25691464

  12. Simulating photoacoustic waves produced by individual biological particles with spheroidal wave functions

    NASA Astrophysics Data System (ADS)

    Li, Yong; Fang, Hui; Min, Changjun; Yuan, Xiaocong

    2015-10-01

    Under the usual approximation of treating a biological particle as a spheroidal droplet, we consider the analysis of its size and shape with the high frequency photoacoustics and develop a numerical method which can simulate its characteristic photoacoustic waves. This numerical method is based on the calculation of spheroidal wave functions, and when comparing to the finite element model (FEM) calculation, can reveal more physical information and can provide results independently at each spatial points. As the demonstration, red blood cells (RBCs) and MCF7 cell nuclei are studied, and their photoacoustic responses including field distribution, spectral amplitude, and pulse forming are calculated. We expect that integrating this numerical method with the high frequency photoacoustic measurement will form a new modality being extra to the light scattering method, for fast assessing the morphology of a biological particle.

  13. Simulating photoacoustic waves produced by individual biological particles with spheroidal wave functions

    PubMed Central

    Li, Yong; Fang, Hui; Min, Changjun; Yuan, Xiaocong

    2015-01-01

    Under the usual approximation of treating a biological particle as a spheroidal droplet, we consider the analysis of its size and shape with the high frequency photoacoustics and develop a numerical method which can simulate its characteristic photoacoustic waves. This numerical method is based on the calculation of spheroidal wave functions, and when comparing to the finite element model (FEM) calculation, can reveal more physical information and can provide results independently at each spatial points. As the demonstration, red blood cells (RBCs) and MCF7 cell nuclei are studied, and their photoacoustic responses including field distribution, spectral amplitude, and pulse forming are calculated. We expect that integrating this numerical method with the high frequency photoacoustic measurement will form a new modality being extra to the light scattering method, for fast assessing the morphology of a biological particle. PMID:26442830

  14. A bi-symmetric square wave Zeeman modulator for nuclear quadrupole resonance.

    PubMed

    Mao, D; Petersen, G L; Bray, P J

    1992-11-01

    A simple circuit has been designed to generate a bi-symmetric square wave Zeeman modulation for the detection of nuclear quadrupole resonance. The square waveform not only provides an optimum result among bi-symmetric modulation waveforms, but also allows the observation of the Zeeman perturbed NQR powder pattern without the need for an extra external magnetic field.

  15. A Critical Examination of Wind-Wave Spectral Functional Form

    NASA Technical Reports Server (NTRS)

    Huang, Norden E.; Long, Steven R.

    1999-01-01

    Traditionally, data from random ocean waves are presented in spectral functions. The spectra are the result of Fourier analysis. Fourier spectral analysis has dominated data analysis for, at least, the last hundred years. It has been the standard method for is examining the global amplitude-frequency distributions. Although Fourier transform valid under extremely general conditions, there are some crucial restrictions for the Fourier spectral analysis. The system must be linear, and the data must be stationary- otherwise, the resulting spectrum will make little physical sense. The stationarity requirement is also a common required criterion for most of other available data analysis methods. Nevertheless, few, if any, natural phenomena are linear and stationary. To compound these complications is the imperfection of our probes or numerical schemes the interactions of the imperfect probes even with a perfect linear system can make the final data nonlinear. Furthermore, all the available data are usually of finite duration. Under these conditions, Fourier analysis is of limited use, For lack of alternatives, however, Fourier analysis is still used to process such data. The loose application of Fourier analysis and the insouciant adoption of the stationary and linear assumptions may lead to misleading conclusions. Ocean waves are know to be nonlinear, and the wind system generating the wave field are seldom stationary- As a result, the traditional examination of the spectral form hardly made physical sense. A new method for analyzing nonlinear and nonstationary data has been developed. The key part is the Empirical Mode Decomposition (EMD) method with which any complicated data set can be decomposed into a finite and often small number of Intrinsic Mode Functions (IMF) that serve as the basis of the representation of the data, This decomposition method is adaptive, and, therefore, highly efficient. The IMFs admit well-behaved Hilbert transforms, and yield instantaneous

  16. THz-waves channeling in a monolithic saddle-coil for Dynamic Nuclear Polarization enhanced NMR.

    PubMed

    Macor, A; de Rijk, E; Annino, G; Alberti, S; Ansermet, J-Ph

    2011-10-01

    A saddle coil manufactured by electric discharge machining (EDM) from a solid piece of copper has recently been realized at EPFL for Dynamic Nuclear Polarization enhanced Nuclear Magnetic Resonance experiments (DNP-NMR) at 9.4 T. The corresponding electromagnetic behavior of radio-frequency (400 MHz) and THz (263 GHz) waves were studied by numerical simulation in various measurement configurations. Moreover, we present an experimental method by which the results of the THz-wave numerical modeling are validated. On the basis of the good agreement between numerical and experimental results, we conducted by numerical simulation a systematic analysis on the influence of the coil geometry and of the sample properties on the THz-wave field, which is crucial in view of the optimization of DNP-NMR in solids.

  17. Comparative analyses of nuclear proteome: extending its function

    PubMed Central

    Narula, Kanika; Datta, Asis; Chakraborty, Niranjan; Chakraborty, Subhra

    2013-01-01

    Organeller proteomics is an emerging technology that is critical in determining the cellular signal transduction pathways. Nucleus, the regulatory hub of the eukaryotic cell is a dynamic system and a repository of various macromolecules that serve as modulators of such signaling that dictate cell fate decisions. Nuclear proteins (NPs) are predicted to comprise about 10–20% of the total cellular proteins, suggesting the involvement of the nucleus in a number of diverse functions. Indeed, NPs constitute a highly organized but complex network that plays diverse roles during development and physiological processes. In plants, relatively little is known about the nature of the molecular components and mechanisms involved in coordinating NP synthesis, their action and function. Proteomic study hold promise to understand the molecular basis of nuclear function using an unbiased comparative and differential approach. We identified a few hundred proteins that include classical and non-canonical nuclear components presumably associated with variety of cellular functions impinging on the complexity of nuclear proteome. Here, we review the nuclear proteome based on our own findings, available literature, and databases focusing on detailed comparative analysis of NPs and their functions in order to understand how plant nucleus works. The review also shed light on the current status of plant nuclear proteome and discusses the future prospect. PMID:23637696

  18. Is spontaneous wave function collapse testable at all?

    NASA Astrophysics Data System (ADS)

    Diósi, Lajos

    2015-07-01

    Mainstream literature on spontaneous wave function collapse never reflects on or profits from the formal coincidence and conceptual relationship with standard collapse under time-continuous quantum measurement (monitoring). I propose some easy lessons of standard monitoring theory which would make spontaneous collapse models revise some of their claims. In particular, the objective detection of spontaneous collapse remains impossible as long as the correct identification of what corresponds to the signal in standard monitoring is missing from spontaneous collapse models, the physical detectability of the “signal” is not stated explicitly and, finally, the principles of physical detection are not revealed.

  19. Wave-function monopoles in Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Busch, Th.; Anglin, J. R.

    1999-10-01

    Experimental preparation of multispecies Bose-Einstein condensates should permit the creation of topologically stable defects beyond the superfluid vortex. But the coldness and isolation of condensates should also permit the survival for observable durations of ``pseudodefects,'' such as the one-dimensional dark soliton: localized structures related to a defect but not topologically stable. In this paper we investigate the viability of pseudodefects beyond one dimension, by examining ``wave-function monopoles'' in two-species condensates in two dimensions. We identify interesting instabilities, including a ``dancing mode'' for monopoles of higher winding number, and (in a one-dimensional limit) ``superfluid roulette.''

  20. Average wave function method for gas-surface scattering

    NASA Astrophysics Data System (ADS)

    Singh, Harjinder; Dacol, Dalcio K.; Rabitz, Herschel

    1986-02-01

    The average wave function method (AWM) is applied to scattering of a gas off a solid surface. The formalism is developed for both periodic as well as disordered surfaces. For an ordered lattice an explicit relation is derived for the Bragg peaks along with a numerical illustration. Numerical results are presented for atomic clusters on a flat hard wall with a Gaussian-like potential at each atomic scattering site. The effect of relative lateral displacement of two clusters upon the scattering pattern is shown. The ability of AWM to accommodate disorder through statistical averaging over cluster configurations is illustrated. Enhanced uniform backscattering is observed with increasing roughness on the surface.

  1. US Nuclear Regulatory Commission organization charts and functional statements

    SciTech Connect

    1997-11-01

    This document contains organization charts for the U.S. Nuclear Regulatory Commission (NRC) and for the five offices of the NRC. Function statements are provided delineating the major responsibilities and operations of each office. Organization and function are provided to the branch level. The head of each office, division, and branch is also listed.

  2. Wave functions for fractional Chern insulators in disk geometry

    NASA Astrophysics Data System (ADS)

    He, Ai-Lei; Luo, Wei-Wei; Wang, Yi-Fei; Gong, Chang-De

    2015-12-01

    Recently, fractional Chern insulators (FCIs), also called fractional quantum anomalous Hall (FQAH) states, have been theoretically established in lattice systems with topological flat bands. These systems exhibit similar fractionalization phenomena to the conventional fractional quantum Hall (FQH) systems. Using the mapping relationship between the FQH states and the FCI/FQAH states, we construct the many-body wave functions of the fermionic FCI/FQAH states in disk geometry with the aid of the generalized Pauli principle (GPP) and Jack polynomials. Compared with the ground state by the exact diagonalization method, the wave-function overlap is higher than 0.97, even when the Hilbert space dimension is as large as 3 × 106. We also use the GPP and the Jack polynomials to construct edge excitations for the fermionic FCI/FQAH states. The quasi-degeneracy sequences of fermionic FCI/FQAH systems reproduce the prediction of the chiral Luttinger liquid theory, complementing the exact diagonalization results with larger lattice sizes and more particles.

  3. Hairless is a nuclear receptor corepressor essential for skin function

    PubMed Central

    Thompson, Catherine C.

    2009-01-01

    The activity of nuclear receptors is modulated by numerous coregulatory factors. Corepressors can either mediate the ability of nuclear receptors to repress transcription, or can inhibit transactivation by nuclear receptors. As we learn more about the mechanisms of transcriptional repression, the importance of repression by nuclear receptors in development and disease has become clear. The protein encoded by the mammalian Hairless (Hr) gene was shown to be a corepressor by virtue of its functional similarity to the well-established corepressors N-CoR and SMRT. Mutation of the Hr gene results in congenital hair loss in both mice and men. Investigation of Hairless function both in vitro and in mouse models in vivo has revealed a critical role in maintaining skin and hair by regulating the differentiation of epithelial stem cells, as well as a putative role in regulating gene expression via chromatin remodeling. PMID:20087431

  4. Nuclear localization of Chfr is crucial for its checkpoint function.

    PubMed

    Kwon, Young Eun; Kim, Ye Seul; Oh, Young Mi; Seol, Jae Hong

    2009-03-31

    Chfr, a checkpoint with FHA and RING finger domains, plays an important role in cell cycle progression and tumor suppression. Chfr possesses the E3 ubiquitin ligase activity and stimulates the formation of polyubiquitin chains by Ub-conjugating enzymes, and induces the proteasome-dependent degradation of a number of cellular proteins, including Plk1 and Aurora A. While Chfr is a nuclear protein that functions within the cell nucleus, how Chfr is localized in the nucleus has not been clearly demonstrated. Here, we show that nuclear localization of Chfr is mediated by nuclear localization signal (NLS) sequences. To reveal the signal sequences responsible for nuclear localization, a short lysine-rich stretch (KKK) at amino acid residues 257-259 was replaced with alanine, which completely abolished nuclear localization. Moreover, we show that nuclear localization of Chfr is essential for its checkpoint function but not for its stability. Thus, our results suggest that NLS-mediated nuclear localization of Chfr leads to its accumulation within the nucleus, which may be important in the regulation of Chfr activation and Chfr-mediated cellular processes, including cell cycle progression and tumor suppression.

  5. Unified field theory from the classical wave equation: Preliminary application to atomic and nuclear structure

    NASA Astrophysics Data System (ADS)

    Múnera, Héctor A.

    2016-07-01

    It is postulated that there exists a fundamental energy-like fluid, which occupies the flat three-dimensional Euclidean space that contains our universe, and obeys the two basic laws of classical physics: conservation of linear momentum, and conservation of total energy; the fluid is described by the classical wave equation (CWE), which was Schrödinger's first candidate to develop his quantum theory. Novel solutions for the CWE discovered twenty years ago are nonharmonic, inherently quantized, and universal in the sense of scale invariance, thus leading to quantization at all scales of the universe, from galactic clusters to the sub-quark world, and yielding a unified Lorentz-invariant quantum theory ab initio. Quingal solutions are isomorphic under both neo-Galilean and Lorentz transformations, and exhibit nother remarkable property: intrinsic unstability for large values of ℓ (a quantum number), thus limiting the size of each system at a given scale. Unstability and scale-invariance together lead to nested structures observed in our solar system; unstability may explain the small number of rows in the chemical periodic table, and nuclear unstability of nuclides beyond lead and bismuth. Quingal functions lend mathematical basis for Boscovich's unified force (which is compatible with many pieces of evidence collected over the past century), and also yield a simple geometrical solution for the classical three-body problem, which is a useful model for electronic orbits in simple diatomic molecules. A testable prediction for the helicoidal-type force is suggested.

  6. A-dependence of weak nuclear structure functions

    SciTech Connect

    Haider, H.; Athar, M. Sajjad; Simo, I. Ruiz

    2015-05-15

    Effect of nuclear medium on the weak structure functions F{sub 2}{sup A}(x, Q{sup 2}) and F{sub 3}{sup A}(x, Q{sup 2}) have been studied using charged current (anti)neutrino deep inelastic scattering on various nuclear targets. Relativistic nuclear spectral function which incorporate Fermi motion, binding and nucleon correlations are used for the calculations. We also consider the pion and rho meson cloud contributions calculated from a microscopic model for meson-nucleus self-energies. Using these structure functions, F{sub i}{sup A}/F{sub i}{sup proton} and F{sub i}{sup A}/F{sub i}{sup deuteron}(i=2,3, A={sup 12}C, {sup 16}O, CH and H{sub 2}O) are obtained.

  7. Nuclear cardiology: Myocardial perfusion and function

    SciTech Connect

    Seldin, D.W. )

    1991-08-01

    Myocardial perfusion studies continue to be a major focus of research, with new investigations of the relationship of exercise-redistribution thallium imaging to diagnosis, prognosis, and case management. The redistribution phenomenon, which seemed to be fairly well understood a few years ago, is now recognized to be much more complex than originally thought, and various strategies have been proposed to clarify the meaning of persistent defects. Pharmacologic intervention with dipyridamole and adenosine has become available as an alternative to exercise, and comparisons with exercise imaging and catheterization results have been described. Thallium itself is no longer the sole single-photon perfusion radiopharmaceutical; two new technetium agents are now widely available. In addition to perfusion studies, advances in the study of ventricular function have been made, including reports of studies performed in conjunction with technetium perfusion studies, new insights into cardiac physiology, and the prognostic and case-management information that function studies provide. Finally, work has continued with monoclonal antibodies for the identification of areas of myocyte necrosis. 41 references.

  8. Epicenter Location of Regional Seismic Events Using Love Wave and Rayleigh Wave Ambient Seismic Noise Green's Functions

    NASA Astrophysics Data System (ADS)

    Levshin, A. L.; Barmin, M. P.; Moschetti, M. P.; Mendoza, C.; Ritzwoller, M. H.

    2011-12-01

    We describe a novel method to locate regional seismic events based on exploiting Empirical Green's Functions (EGF) that are produced from ambient seismic noise. Elastic EGFs between pairs of seismic stations are determined by cross-correlating long time-series of ambient noise recorded at the two stations. The EGFs principally contain Rayleigh waves on the vertical-vertical cross-correlations and Love waves on the transverse-transverse cross-correlations. Earlier work (Barmin et al., "Epicentral location based on Rayleigh wave empirical Green's functions from ambient seismic noise", Geophys. J. Int., 2011) showed that group time delays observed on Rayleigh wave EGFs can be exploited to locate to within about 1 km moderate sized earthquakes using USArray Transportable Array (TA) stations. The principal advantage of the method is that the ambient noise EGFs are affected by lateral variations in structure similarly to the earthquake signals, so the location is largely unbiased by 3-D structure. However, locations based on Rayleigh waves alone may be biased by more than 1 km if the earthquake depth is unknown but lies between 2 km and 7 km. This presentation is motivated by the fact that group time delays for Love waves are much less affected by earthquake depth than Rayleigh waves; thus exploitation of Love wave EGFs may reduce location bias caused by uncertainty in event depth. The advantage of Love waves to locate seismic events, however, is mitigated by the fact that Love wave EGFs have a smaller SNR than Rayleigh waves. Here, we test the use of Love and Rayleigh wave EGFs between 5- and 15-sec period to locate seismic events based on the USArray TA in the western US. We focus on locating aftershocks of the 2008 M 6.0 Wells earthquake, mining blasts in Wyoming and Montana, and small earthquakes near Norman, OK and Dallas, TX, some of which may be triggered by hydrofracking or injection wells.

  9. Human brain networks function in connectome-specific harmonic waves.

    PubMed

    Atasoy, Selen; Donnelly, Isaac; Pearson, Joel

    2016-01-21

    A key characteristic of human brain activity is coherent, spatially distributed oscillations forming behaviour-dependent brain networks. However, a fundamental principle underlying these networks remains unknown. Here we report that functional networks of the human brain are predicted by harmonic patterns, ubiquitous throughout nature, steered by the anatomy of the human cerebral cortex, the human connectome. We introduce a new technique extending the Fourier basis to the human connectome. In this new frequency-specific representation of cortical activity, that we call 'connectome harmonics', oscillatory networks of the human brain at rest match harmonic wave patterns of certain frequencies. We demonstrate a neural mechanism behind the self-organization of connectome harmonics with a continuous neural field model of excitatory-inhibitory interactions on the connectome. Remarkably, the critical relation between the neural field patterns and the delicate excitation-inhibition balance fits the neurophysiological changes observed during the loss and recovery of consciousness.

  10. Probing dissociative molecular dications by mapping vibrational wave functions

    SciTech Connect

    Puettner, R.; Sekushin, V.; Kaindl, G.; Arion, T.; Lischke, T.; Mucke, M.; Hergenhahn, U.; Foerstel, M.; Bradshaw, A. M.

    2011-04-15

    We present high-resolution photoelectron-Auger-electron coincidence spectra of methane (CH{sub 4}). Since the vibrational structure in the photoelectron spectrum is resolved, the Auger spectra corresponding to different vibrational levels can be separated. The seven final states of CH{sub 4}{sup 2+} are either dissociative or metastable, but in any case are populated in a repulsive part of their potential-energy curve via the Auger decay. The Auger line shapes can therefore be obtained by mapping the vibrational wave functions of the core-hole state into energy space. We have implemented this connection in the data analysis. By simultaneously fitting the different Auger spectra, detailed information on the energies of the dicationic states and their repulsive potential-energy curves is derived.

  11. From Bethe-Salpeter Wave functions to Generalised Parton Distributions

    NASA Astrophysics Data System (ADS)

    Mezrag, C.; Moutarde, H.; Rodríguez-Quintero, J.

    2016-09-01

    We review recent works on the modelling of generalised parton distributions within the Dyson-Schwinger formalism. We highlight how covariant computations, using the impulse approximation, allows one to fulfil most of the theoretical constraints of the GPDs. Specific attention is brought to chiral properties and especially the so-called soft pion theorem, and its link with the Axial-Vector Ward-Takahashi identity. The limitation of the impulse approximation are also explained. Beyond impulse approximation computations are reviewed in the forward case. Finally, we stress the advantages of the overlap of lightcone wave functions, and possible ways to construct covariant GPD models within this framework, in a two-body approximation.

  12. Human brain networks function in connectome-specific harmonic waves

    PubMed Central

    Atasoy, Selen; Donnelly, Isaac; Pearson, Joel

    2016-01-01

    A key characteristic of human brain activity is coherent, spatially distributed oscillations forming behaviour-dependent brain networks. However, a fundamental principle underlying these networks remains unknown. Here we report that functional networks of the human brain are predicted by harmonic patterns, ubiquitous throughout nature, steered by the anatomy of the human cerebral cortex, the human connectome. We introduce a new technique extending the Fourier basis to the human connectome. In this new frequency-specific representation of cortical activity, that we call ‘connectome harmonics', oscillatory networks of the human brain at rest match harmonic wave patterns of certain frequencies. We demonstrate a neural mechanism behind the self-organization of connectome harmonics with a continuous neural field model of excitatory–inhibitory interactions on the connectome. Remarkably, the critical relation between the neural field patterns and the delicate excitation–inhibition balance fits the neurophysiological changes observed during the loss and recovery of consciousness. PMID:26792267

  13. Dominant partition method. [based on a wave function formalism

    NASA Technical Reports Server (NTRS)

    Dixon, R. M.; Redish, E. F.

    1979-01-01

    By use of the L'Huillier, Redish, and Tandy (LRT) wave function formalism, a partially connected method, the dominant partition method (DPM) is developed for obtaining few body reductions of the many body problem in the LRT and Bencze, Redish, and Sloan (BRS) formalisms. The DPM maps the many body problem to a fewer body one by using the criterion that the truncated formalism must be such that consistency with the full Schroedinger equation is preserved. The DPM is based on a class of new forms for the irreducible cluster potential, which is introduced in the LRT formalism. Connectivity is maintained with respect to all partitions containing a given partition, which is referred to as the dominant partition. Degrees of freedom corresponding to the breakup of one or more of the clusters of the dominant partition are treated in a disconnected manner. This approach for simplifying the complicated BRS equations is appropriate for physical problems where a few body reaction mechanism prevails.

  14. Quantum-defect functions. Interconverters of electronic and nuclear motion

    SciTech Connect

    Dill, D.; Jungen, C.

    1980-08-21

    In 1964 Mulliken systematically extended the ideas of Rydberg states and quantum defects from atoms to molecules. The key point of that extension is stated in several sentences: In molecules...all that has just been stated for atomic Rydberg states finds a parallel if one considers any one fixed nuclear configuration... However the mode of variation of the MOs and their energies as one varies the nuclear configuration is a new feature of interest. A complication...is the fact that the interaction of the molecular rotation with the l vector of the Rydberg electron changes radically as n increases in a Rydberg series. Thereby Mulliken introduced the concept of the quantum-defect function, ..mu lambda..(R), depending on nuclear configuration R and orbital-momentum projection ..lambda.. along the molecular axis. This concept has emerged as central to the understanding of the interconversion of electronic and nuclear motion in molecular systems. 13 figures.

  15. Excitation function calculations for α + 93Nb nuclear reactions

    NASA Astrophysics Data System (ADS)

    Yiǧit, M.; Tel, E.; Sarpün, İ. H.

    2016-10-01

    In this study, the excitation functions of alpha-induced reactions on the 93Nb target nucleus were calculated by using ALICE-ASH code. The hybrid model, Weisskopf-Ewing model and geometry dependent hybrid model in this code were used to understand the alpha-niobium interaction. The contribution on the nuclear interaction of compound and pre-compound processes, with variation of the incident alpha particle energy, was presented. Furthermore, the reaction cross sections were calculated by using different level density models such as Superfluid nuclear model, Fermi gas model and Kataria-Ramamurthy Fermi gas model. Obtaining a good agreement between the calculated and the measured cross sections, the exciton numbers and the nuclear level density models were varied. Finally, the proper choice of the exciton numbers and the nuclear level density models was found to be quite important in order to obtain the more realistic cross section values.

  16. Combining Nuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations to Characterize Carvedilol Polymorphs.

    PubMed

    Rezende, Carlos A; San Gil, Rosane A S; Borré, Leandro B; Pires, José Ricardo; Vaiss, Viviane S; Resende, Jackson A L C; Leitão, Alexandre A; De Alencastro, Ricardo B; Leal, Katia Z

    2016-09-01

    The experiments of carvedilol form II, form III, and hydrate by (13)C and (15)N cross-polarization magic-angle spinning (CP MAS) are reported. The GIPAW (gauge-including projector-augmented wave) method from DFT (density functional theory) calculations was used to simulate (13)C and (15)N chemical shifts. A very good agreement was found for the comparison between the global results of experimental and calculated nuclear magnetic resonance (NMR) chemical shifts for carvedilol polymorphs. This work aims a comprehensive understanding of carvedilol crystalline forms employing solution and solid-state NMR as well as DFT calculations.

  17. Uncertainty Quantification and Propagation in Nuclear Density Functional Theory

    SciTech Connect

    Schunck, N; McDonnell, J D; Higdon, D; Sarich, J; Wild, S M

    2015-03-17

    Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going eff orts seek to better root nuclear DFT in the theory of nuclear forces, energy functionals remain semi-phenomenological constructions that depend on a set of parameters adjusted to experimental data in fi nite nuclei. In this paper, we review recent eff orts to quantify the related uncertainties, and propagate them to model predictions. In particular, we cover the topics of parameter estimation for inverse problems, statistical analysis of model uncertainties and Bayesian inference methods. Illustrative examples are taken from the literature.

  18. Public meetings on nuclear waste management: their function and organization

    SciTech Connect

    Duvernoy, E.G.; Marcus, A.A.; Overcast, T.; Schilling, A.H.

    1981-05-01

    This report focuses on public meetings as a vehicle for public participation in nuclear waste management. The nature of public meetings is reviewed and the functions served by meetings highlighted. The range of participants and their concerns are addressed, including a review of the participants from past nuclear waste management meetings. A sound understanding of the expected participants allows DOE to tailor elements of the meeting, such as notification, format, and agenda to accommodate the attendees. Finally, the report discusses the organization of public meetings on nuclear waste management in order to enhance the DOE's functions for such meetings. Possible structures are suggested for a variety of elements that are relevant prior to, during and after the public meeting. These suggestions are intended to supplement the DOE Public Participation Manual.

  19. BUILDING A UNIVERSAL NUCLEAR ENERGY DENSITY FUNCTIONAL (UNEDF)

    SciTech Connect

    Nazarewicz, Witold

    2012-07-01

    The long-term vision initiated with UNEDF is to arrive at a comprehensive, quantitative, and unified description of nuclei and their reactions, grounded in the fundamental interactions between the constituent nucleons. We seek to replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that delivers maximum predictive power with well-quantified uncertainties. Specifically, the mission of this project has been three-fold: First, to find an optimal energy density functional (EDF) using all our knowledge of the nucleonic Hamiltonian and basic nuclear properties. Second, to apply the EDF theory and its extensions to validate the functional using all the available relevant nuclear structure and reaction data. Third, to apply the validated theory to properties of interest that cannot be measured, in particular the properties needed for reaction theory.

  20. Study on far field wave patterns and their characteristics of Havelock form green function

    NASA Astrophysics Data System (ADS)

    Xu, Yong; Dong, Wen-cai; Xiao, Wen-bin

    2013-06-01

    A new mathematical integral representation including five integrals about the far field wave shape function of Havelock form translating-pulsating source is obtained by performing variable substitution. Constant-phase curves and propagation wave patterns are investigated by applying stationary phase analysis method to the new representation. Some findings are summarized as follows: (1) when 0< τ <0.25 (where τ is the Strouhal number), three types of stationary phase curves corresponding to three propagation wave patterns such as fan wave pattern, inner V and outer V wave patterns, are found in the integral representation. (2) When τ>0.25, besides three types of wave patterns such as a ring-faning wave pattern, a fan wave pattern and an inner V wave pattern, a new one called parallel wave pattern is also found which not only exists in the integrals about the ring-fan wave and fan wave, but also in the integrals whose interval is [0, γ] In addition, Characteristics about these parallel waves such as mathematical expressions, existence conditions, propagation directions and wave lengths are obtained, and cancellation relationships between these parallel waves are stated, which certificates the fact that there are no parallel waves existing in the far field.

  1. Nanotopographical Modulation of Cell Function through Nuclear Deformation

    PubMed Central

    Wang, Kai; Bruce, Allison; Mezan, Ryan; Kadiyala, Anand; Wang, Liying; Dawson, Jeremy; Rojanasakul, Yon; Yang, Yong

    2016-01-01

    Although nanotopography has been shown to be a potent modulator of cell behavior, it is unclear how the nanotopographical cue, through focal adhesions, affects the nucleus, eventually influencing cell phenotype and function. Thus, current methods to apply nanotopography to regulate cell behavior are basically empirical. We, herein, engineered nanotopographies of various shapes (gratings and pillars) and dimensions (feature size, spacing and height), and thoroughly investigated cell spreading, focal adhesion organization and nuclear deformation of human primary fibroblasts as the model cell grown on the nanotopographies. We examined the correlation between nuclear deformation and cell functions such as cell proliferation, transfection and extracellular matrix protein type I collagen production. It was found that the nanoscale gratings and pillars could facilitate focal adhesion elongation by providing anchoring sites, and the nanogratings could orient focal adhesions and nuclei along the nanograting direction, depending on not only the feature size but also the spacing of the nanogratings. Compared with continuous nanogratings, discrete nanopillars tended to disrupt the formation and growth of focal adhesions and thus had less profound effects on nuclear deformation. Notably, nuclear volume could be effectively modulated by the height of nanotopography. Further, we demonstrated that cell proliferation, transfection, and type I collagen production were strongly associated with the nuclear volume, indicating that the nucleus serves as a critical mechanosensor for cell regulation. Our study delineated the relationships between focal adhesions, nucleus and cell function and highlighted that the nanotopography could regulate cell phenotype and function by modulating nuclear deformation. This study provides insight into the rational design of nanotopography for new biomaterials and the cell–substrate interfaces of implants and medical devices. PMID:26844365

  2. Bohmian Conditional Wave Functions (and the status of the quantum state)

    NASA Astrophysics Data System (ADS)

    Norsen, Travis

    2016-03-01

    The de Broglie - Bohm pilot-wave theory - uniquely among realistic candidate quantum theories - allows a straightforward and simple definition of the wave function of a subsystem of some larger system (such as the entire universe). Such sub-system wave functions are called “Conditional Wave Functions” (CWFs). Here we explain this concept and indicate the CWF's role in the Bohmian explanation of the usual quantum formalism, and then develop (and motivate) the more speculative idea that something like single-particle wave functions could replace the (ontologically problematical) universal wave function in some future, empirically adequate, pilot-wave-type theory. Throughout the presentation is pedagogical and points are illustrated with simple toy models.

  3. Goal Direction and Effectiveness, Emotional Maturity, and Nuclear Family Functioning

    ERIC Educational Resources Information Center

    Klever, Phillip

    2009-01-01

    Differentiation of self, a cornerstone concept in Bowen theory, has a profound influence over time on the functioning of the individual and his or her family unit. This 5-year longitudinal study tested this hypothesis with 50 developing nuclear families. The dimensions of differentiation of self that were examined were goal direction and…

  4. Reflection-Asymmetric Nuclear Deformations within the Density Functional Theory

    SciTech Connect

    Olsen, E; Erler, J; Nazarewicz, W.; Stoitsov, M

    2012-01-01

    Within the nuclear density functional theory (DFT) we study the effect of reflection- asymmetric shapes on ground-state binding energies and binding energy differences. To this end, we developed the new DFT solver axialhfb that uses an approximate second-order gradient to solve the Hartree-Fock-Bogoliubov equations of superconducting DFT with the quasi-local Skyrme energy density functionals. Illustrative calculations are carried out for even- even isotopes of radium and thorium.

  5. Time-dependent Green's functions approach to nuclear reactions

    SciTech Connect

    Rios, Arnau; Danielewicz, Pawel

    2008-04-04

    Nonequilibrium Green's functions represent underutilized means of studying evolution of quantum many-body systems. In view of a rising computer power, an effort is underway to apply the Green's functions to the dynamics of central nuclear reactions. As the first step, mean-field evolution for the density matrix for colliding slabs is studied in one dimension. Strategy to extend the dynamics to correlations is described.

  6. Riemann {zeta} function from wave-packet dynamics

    SciTech Connect

    Mack, R.; Schleich, W. P.; Dahl, J. P.; Moya-Cessa, H.; Strunz, W. T.; Walser, R.

    2010-09-15

    We show that the time evolution of a thermal phase state of an anharmonic oscillator with logarithmic energy spectrum is intimately connected to the generalized Riemann {zeta} function {zeta}(s,a). Indeed, the autocorrelation function at a time t is determined by {zeta}({sigma}+i{tau},a), where {sigma} is governed by the temperature of the thermal phase state and {tau} is proportional to t. We use the JWKB method to solve the inverse spectral problem for a general logarithmic energy spectrum; that is, we determine a family of potentials giving rise to such a spectrum. For large distances, all potentials display a universal behavior; they take the shape of a logarithm. However, their form close to the origin depends on the value of the Hurwitz parameter a in {zeta}(s,a). In particular, we establish a connection between the value of the potential energy at its minimum, the Hurwitz parameter and the Maslov index of JWKB. We compare and contrast exact and approximate eigenvalues of purely logarithmic potentials. Moreover, we use a numerical method to find a potential which leads to exact logarithmic eigenvalues. We discuss possible realizations of Riemann {zeta} wave-packet dynamics using cold atoms in appropriately tailored light fields.

  7. Nonlocal density-functional description constructed from a correlated many-body wave function

    NASA Astrophysics Data System (ADS)

    Umezawa, Naoto; Tsuneyuki, Shinji

    2004-03-01

    We suggest a new approach to the nonlocal density-functional theory. In our method, the nonlocal correlation functional is derived from a correlated many-body wave function using the transcorrelated similarity transformation [1,2]. Our formalism is rigorous in principle if the v-representable density is assumed. In practice, Jastrow-Slater-type wave function is adopted and the correlation functional consists of many-body interactions originated from the Jastrow factor. Instead of struggling with these higher order interactions, we retain only 2-body interactions multiplying an adjusting parameter so that it can reproduce the exact correlation energy for the homogeneous electron gas. Therefore, the computational cost is comparable to the exact exchange method. Moreover, parameters in the Jastrow factor are determined by the two conditions: the cusp conditions and the random-phase approximation without empirical fitting. We found that our correlation functional gives fairly good results for small atoms and ions (He, Li^+, Be^2+, Li, and Be). [1]S. F. Boys and N. C. Handy, Proc. Roy. Soc. A, 309, 209; 310, 43; 310, 63; 311, 309. [2] N. Umezawa and S. Tsuneyuki, J. Chem. Phys. 119, 10015 (2003).

  8. Photon wave function formalism for analysis of Mach-Zehnder interferometer and sum-frequency generation

    NASA Astrophysics Data System (ADS)

    Ritboon, Atirach; Daengngam, Chalongrat; Pengpan, Teparksorn

    2016-08-01

    Biakynicki-Birula introduced a photon wave function similar to the matter wave function that satisfies the Schrödinger equation. Its second quantization form can be applied to investigate nonlinear optics at nearly full quantum level. In this paper, we applied the photon wave function formalism to analyze both linear optical processes in the well-known Mach-Zehnder interferometer and nonlinear optical processes for sum-frequency generation in dispersive and lossless medium. Results by photon wave function formalism agree with the well-established Maxwell treatments and existing experimental verifications.

  9. Wave function for time-dependent harmonically confined electrons in a time-dependent electric field.

    PubMed

    Li, Yu-Qi; Pan, Xiao-Yin; Sahni, Viraht

    2013-09-21

    The many-body wave function of a system of interacting particles confined by a time-dependent harmonic potential and perturbed by a time-dependent spatially homogeneous electric field is derived via the Feynman path-integral method. The wave function is comprised of a phase factor times the solution to the unperturbed time-dependent Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical driven equation of motion. The wave function reduces to that of the Harmonic Potential Theorem wave function for the case of the time-independent harmonic confining potential. PMID:24070284

  10. About Essence of the Wave Function on Atomic Level and in Superconductors

    SciTech Connect

    Nikulov, A. V.

    2007-12-03

    The wave function was proposed for description of quantum phenomena on the atomic level. But now it is well known that quantum phenomena are observed not only on atomic level and the wave function is used for description of macroscopic quantum phenomena, such as superconductivity. The essence of the wave function on level elementary particles was and is the subject of heated argument among founders of quantum mechanics and other physicists. This essence seems more clear in superconductor. But impossibility of probabilistic interpretation of wave function in this case results to obvious contradiction of quantum principles with some fundamental principles of physics.

  11. NUCLEAR MODIFICATION TO PARTON DISTRIBUTION FUNCTIONS AND PARTON SATURATION.

    SciTech Connect

    QIU, J.-W.

    2006-11-14

    We introduce a generalized definition of parton distribution functions (PDFs) for a more consistent all-order treatment of power corrections. We present a new set of modified DGLAP evolution equations for nuclear PDFs, and show that the resummed {alpha}{sub s}A{sup 1/3}/Q{sup 2}-type of leading nuclear size enhanced power corrections significantly slow down the growth of gluon density at small-x. We discuss the relation between the calculated power corrections and the saturation phenomena.

  12. Nuclear cyclophilins affect spliceosome assembly and function in vitro.

    PubMed

    Adams, B M; Coates, Miranda N; Jackson, S RaElle; Jurica, Melissa S; Davis, Tara L

    2015-07-15

    Cyclophilins are ubiquitously expressed proteins that bind to prolines and can catalyse cis/trans isomerization of proline residues. There are 17 annotated members of the cyclophilin family in humans, ubiquitously expressed and localized variously to the cytoplasm, nucleus or mitochondria. Surprisingly, all eight of the nuclear localized cyclophilins are found associated with spliceosomal complexes. However, their particular functions within this context are unknown. We have therefore adapted three established assays for in vitro pre-mRNA splicing to probe the functional roles of nuclear cyclophilins in the context of the human spliceosome. We find that four of the eight spliceosom-associated cyclophilins exert strong effects on splicing in vitro. These effects are dose-dependent and, remarkably, uniquely characteristic of each cyclophilin. Using both qualitative and quantitative means, we show that at least half of the nuclear cyclophilins can act as regulatory factors of spliceosome function in vitro. The present work provides the first quantifiable evidence that nuclear cyclophilins are splicing factors and provides a novel approach for future work into small molecule-based modulation of pre-mRNA splicing.

  13. Building A Universal Nuclear Energy Density Functional (UNEDF)

    SciTech Connect

    Joe Carlson; Dick Furnstahl; Mihai Horoi; Rusty Lusk; Witek Nazarewicz; Esmond Ng; Ian Thompson; James Vary

    2012-09-30

    During the period of Dec. 1 2006 - Jun. 30, 2012, the UNEDF collaboration carried out a comprehensive study of all nuclei, based on the most accurate knowledge of the strong nuclear interaction, the most reliable theoretical approaches, the most advanced algorithms, and extensive computational resources, with a view towards scaling to the petaflop platforms and beyond. The long-term vision initiated with UNEDF is to arrive at a comprehensive, quantitative, and unified description of nuclei and their reactions, grounded in the fundamental interactions between the constituent nucleons. We seek to replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that delivers maximum predictive power with well-quantified uncertainties. Specifically, the mission of this project has been three-fold: first, to find an optimal energy density functional (EDF) using all our knowledge of the nucleonic Hamiltonian and basic nuclear properties; second, to apply the EDF theory and its extensions to validate the functional using all the available relevant nuclear structure and reaction data; third, to apply the validated theory to properties of interest that cannot be measured, in particular the properties needed for reaction theory. The main physics areas of UNEDF, defined at the beginning of the project, were: ab initio structure; ab initio functionals; DFT applications; DFT extensions; reactions.

  14. A Wave Equation Migration Method for Receiver Function Imaging

    NASA Astrophysics Data System (ADS)

    Chen, L.; Wen, L.; Zheng, T.

    2004-12-01

    A wave equation based poststack depth migration method is proposed to image the crustal and upper mantle structures using teleseismic receiver functions. By utilizing a frequency-wavenumber domain one-way phase-screen propagator for wavefield extrapolation in the migration scheme, the common conversion point (CCP) stacked receiver functions are backward propagated to construct the subsurface structural images. Synthetic experiments demonstrate the validity of the migration method for a variety of laterally heterogeneous models. The migrated images show considerable improvement over the CCP images in recovering the structural features. The phase-screen propagator migration method proves to be particularly useful for imaging complex structures and deep discontinuities overlain by strong shallow anomalies, because of its capability of handling lateral velocity variations. Influences of several factors on the image quality of the poststack migration are further investigated, including inter-station spacing, noise level of the data, velocity model used in migration, and earthquake distribution (incident direction of source fields). Theoretical derivation and numerical results suggest that both the CCP stacking and the poststack migration of receiver functions need to be designed in a target-oriented way for reliable and efficient imaging, and special consideration on earthquake distribution is particularly required in designing seismic experiments if structures of large dips are present. The proposed wav equation migration scheme is applied to image the Earth's internal structures using a number of dense field data sets collected at many seismic arrays in Asia. The constructed images reveal several interesting subsurface structures of the study regions and synthetic tests indicate that those subsurface features are well resolved by the seismic data. Significant improvements of the image quality demonstrate the great potential and flexibility of the proposed migration

  15. Nuclear response functions for the N- N ∗(1440) transition

    NASA Astrophysics Data System (ADS)

    Alvarez-Ruso, L.; Barbaro, M. B.; Donnelly, T. W.; Molinari, A.

    2003-08-01

    Parity-conserving and -violating response functions are computed for the inclusive electroexcitation of the N ∗(1440) (Roper) resonance in nuclear matter modeled as a relativistic Fermi gas. Using various empirical parameterizations and theoretical models of the N- N ∗(1440) transition form factors, the sensitivity of the response functions to details of the structure of the Roper resonance is investigated. The possibility of disentangling this resonance from the contribution of Δ electroproduction in nuclei is addressed. Finally, the contributions of the Roper resonance to the longitudinal scaling function and to the Coulomb sum rule are also explored.

  16. Spectral modulation effect in teleseismic P-waves from DPRK nuclear tests recorded at different azimuths

    NASA Astrophysics Data System (ADS)

    Gitterman, Yefim; Kim, So Gu; Hofstetter, Abraham

    2014-05-01

    Two underground nuclear explosions conducted by North Korea in 2009 and 2013 were recorded by the Israel Seismic Network. Pronounced coherent minima (spectral nulls) at 1.2-1.3 Hz were revealed in the spectra of teleseismic P-waves. For a ground-truth explosion with a shallow source depth (relatively to an earthquake), this phenomenon can be interpreted in terms of the interference between the down-going P-wave and the pP phase reflected from the Earth's surface. A similar effect was observed at ISN stations for the Pakistan nuclear explosion at a different frequency 1.7 Hz indicating a source and not site-effect. Similar spectral minima with about the same frequency were observed in teleseismic P-waves of all three North Korea explosions (including the 2006 test) recorded at network stations and arrays in Kazakhstan (KURK), Norway (NORESS, ARCESS), Australia (Alice Springs, Warramunga) and Canada (Yellowknife), covering a broad azimuthal range. Data of the 2013 test at Warramunga array showed harmonic spectral modulation with several minima, evidencing a clear interference effect. These observations support the above-mentioned interpretation. Based on the null frequency dependency on the near-surface acoustic velocity and the source depth, the depth of the North Korea tests was estimated as ~2 km (different from the value ~1 km reported by USGS for the third test). This unusual depth estimation needs an additional validation based on more stations and verification by other methods.

  17. "Sloppy" nuclear energy density functionals: Effective model reduction

    NASA Astrophysics Data System (ADS)

    Nikšić, Tamara; Vretenar, Dario

    2016-08-01

    Concepts from information geometry are used to analyze parameter sensitivity for a nuclear energy density functional, representative of a class of semiempirical functionals that start from a microscopically motivated ansatz for the density dependence of the energy of a system of protons and neutrons. It is shown that such functionals are "sloppy," namely, characterized by an exponential range of sensitivity to parameter variations. Responsive to only a few stiff parameter combinations, sloppy functionals exhibit an exponential decrease of sensitivity to variations of the remaining soft parameters. By interpreting the space of model predictions as a manifold embedded in the data space, with the parameters of the functional as coordinates on the manifold, it is also shown that the exponential distribution of model manifold widths corresponds to the range of parameter sensitivity. Using the manifold boundary approximation method, we illustrate how to systematically construct effective nuclear density functionals of successively lower dimension in parameter space until sloppiness is eventually eliminated and the resulting functional contains only stiff combinations of parameters.

  18. SURFACE SYMMETRY ENERGY OF NUCLEAR ENERGY DENSITY FUNCTIONALS

    SciTech Connect

    Nikolov, N; Schunck, N; Nazarewicz, W; Bender, M; Pei, J

    2010-12-20

    We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron-rich matter and description of fission rates for r-process nucleosynthesis.

  19. Inside looking out: Probing JIMWLK wave functions with BFKL calculations

    SciTech Connect

    Altinoluk, Tolga; Kovner, Alex; Levin, Eugene

    2010-10-01

    We investigate the relation between the eigenvalues and eigenfunctions of the Balitsky-Fadin-Kuraev-Lipatov (BFKL) and Jalilian-Marian-Iancu-McLerran-Weigert-Leonidov-Kovner (JIMWLK/KLWMIJ) Hamiltonians. We show that the eigenvalues of the BFKL Hamiltonians are also exact eigenvalues of the KLWMIJ (and JIMWLK) Hamiltonian, albeit corresponding to possibly non-normalizable eigenfunctions. The question whether a given eigenfunction of BFKL corresponds to a normalizable eigenfunction of KLWMIJ is rather complicated, except in some obvious cases, and requires independent investigation. As an example to illustrate this relation we concentrate on the color octet exchange in the framework of KLWMIJ Hamiltonian. We show that it corresponds to the reggeized gluon exchange of BFKL, and find first correction to the BFKL wave function, which has the meaning of the impact factor for shadowing correction to the Reggeized gluon. We also show that the bootstrap condition in the KLWMIJ framework is satisfied automatically and does not carry any additional information to that contained in the second quantized structure of the KLWMIJ Hamiltonian. This is an example of how the bootstrap condition inherent in the t-channel unitarity arises in the s-channel picture.

  20. Experimental determination of wave function spread in Si inversion layers

    NASA Astrophysics Data System (ADS)

    Majumdar, Amlan

    2010-08-01

    We have experimentally determined the extent of wave function spread TQM in Si inversion layers on (100)-oriented surface in metal-oxide-semiconductor field-effect transistors (MOSFETs) using the back gate bias sensitivity of front gate threshold voltage of planar fully depleted silicon-on-insulator (SOI) MOSFETs. We show that the sum of TQM for large positive and negative F is an electrically determined value of the SOI thickness TSI. We find that the electric field dependence of TQM for electrons and holes is given by TQM˜F-0.4 and F-0.6, respectively, at high electric fields with TQM being larger for holes at a given F. Larger TQM for holes can be explained by the fact that holes have a smaller effective mass along the confinement direction than electrons in (100) Si. The field dependences of TQM are, however, not consistent with the results of variational calculations that assume single-subband occupancy and predict TQM˜F-1/3. The discrepancy likely indicates that the effects of multiple-subband occupation are significant at room temperature, especially for holes.

  1. SAID Partial Wave Analyses from CNS DAC (Center for Nuclear Studies Data Analysis Center)

    DOE Data Explorer

    George Washington University (GW) has one of the largest university-based nuclear-physics groups in the nation. Many of the current and future projects are geared to Thomas Jefferson National Accelerator Facility (JLab) at Newport News, VA. JLab is the world's premier electron accelerator for nuclear physics, and GW is one of the charter members of the governing body of JLab, the Southeastern Universities Research Association (SURA). The George Washington Data Analysis Center (DAC) was created in 1998 by an agreement among the Department of Energy, Jefferson Lab, and the GW Center for Nuclear Studies.The activities of the DAC fall into four distinct categories: 1) Performing partial-wave analyses of fundamental two- and three-body reactions; 2) Maintenance of databases associated with these reactions; 3) Development of software to disseminate DAC results (as well as the results of competing model-independent analyses and potential approaches); and 4) Phenomenological and theoretical investigations which bridge the gap between theory and experiment; in particular, the extraction of N* and D * hadronic and electromagnetic couplings. Partial Wave Analyses (and the associated databases) available at GW are: Pion-Nucleon, Kaon-Nucleon, Nucleon-Nucleon, Pion Photoproduction, Pion Electroproduction, Kaon Photoproduction, Eta Photoproduction, Eta-Prime Photoproduction, Pion-Deuteron (elastic), and Pion-Deuteron to Proton+Proton. [Taken from http://www.gwu.edu/~ndl/dac.htm">http://www.gwu.edu/~ndl/dac.htm

  2. Covariant nucleon wave function with S, D, and P-state components

    SciTech Connect

    Franz Gross, G. Ramalho, M. T. Pena

    2012-05-01

    Expressions for the nucleon wave functions in the covariant spectator theory (CST) are derived. The nucleon is described as a system with a off-mass-shell constituent quark, free to interact with an external probe, and two spectator constituent quarks on their mass shell. Integrating over the internal momentum of the on-mass-shell quark pair allows us to derive an effective nucleon wave function that can be written only in terms of the quark and diquark (quark-pair) variables. The derived nucleon wave function includes contributions from S, P and D-waves.

  3. Exact density functional and wave function embedding schemes based on orbital localization

    NASA Astrophysics Data System (ADS)

    Hégely, Bence; Nagy, Péter R.; Ferenczy, György G.; Kállay, Mihály

    2016-08-01

    Exact schemes for the embedding of density functional theory (DFT) and wave function theory (WFT) methods into lower-level DFT or WFT approaches are introduced utilizing orbital localization. First, a simple modification of the projector-based embedding scheme of Manby and co-workers [J. Chem. Phys. 140, 18A507 (2014)] is proposed. We also use localized orbitals to partition the system, but instead of augmenting the Fock operator with a somewhat arbitrary level-shift projector we solve the Huzinaga-equation, which strictly enforces the Pauli exclusion principle. Second, the embedding of WFT methods in local correlation approaches is studied. Since the latter methods split up the system into local domains, very simple embedding theories can be defined if the domains of the active subsystem and the environment are treated at a different level. The considered embedding schemes are benchmarked for reaction energies and compared to quantum mechanics (QM)/molecular mechanics (MM) and vacuum embedding. We conclude that for DFT-in-DFT embedding, the Huzinaga-equation-based scheme is more efficient than the other approaches, but QM/MM or even simple vacuum embedding is still competitive in particular cases. Concerning the embedding of wave function methods, the clear winner is the embedding of WFT into low-level local correlation approaches, and WFT-in-DFT embedding can only be more advantageous if a non-hybrid density functional is employed.

  4. Attosecond photoemission dynamics encoded in real-valued continuum wave functions

    NASA Astrophysics Data System (ADS)

    Gaillac, Romain; Vacher, Morgane; Maquet, Alfred; Taïeb, Richard; Caillat, Jérémie

    2016-01-01

    The dynamics of photoemission is fully encoded in the continuum wave functions selected by the transitions. Using numerical simulations on simple benchmark models, we show how scattering phase shifts and photoemission delays can be retrieved from this unambiguously defined class of wave functions. In contrast with standard scattering waves inherited from collision theory, they are real-valued for one-photon transitions and provide a clear-cut interpretation of the delays recently discussed in the framework of attosecond science.

  5. A study on pseudo interface wave technique for CRDM weld defects in nuclear power plants

    NASA Astrophysics Data System (ADS)

    Lee, Jaesun; Park, Junpil; Cho, Younho; Huh, Hyung; Park, Keun-Bae; Kim, Dong-Ok

    2015-03-01

    The nuclear power plant inspection is very important for the safety issue. However due to some radiation and geometric problems, the detection of CRDM(Control Rod Drive Mechanism) can be very difficult by using conventional Ultrasonic Testing method. Also the shrink fit boundary condition can also be an obstacle for the inspection in this paper, instead of conventional Ultrasonic Testing, guided wave was used for the detection of some complicated structures. The CRDM nozzle was installed in reactor head with perfect shrink fit condition by using stainless steel. The wave amplitude distribution on the circumferential direction was calculated with various boundary conditions and the experimental result shows a possibility of the defect detection on J-groove weld.

  6. Comparison of Source Time Functions Retrieved from Various Regional Waves and Coda Using Moderate Earthquakes in East and Central Asia

    NASA Astrophysics Data System (ADS)

    Xie, J.; Torpey, M. E.

    2015-12-01

    Source time functions may vary with various P and S wave types. Regional Lg waves have been used to estimate radiated energy and apparent stress. In nuclear explosion seismology, the practice of discriminating Earthquake and explosions using regional wave spectra and spectral ratios relies on a fundamental assumption that Earthquakes and explosions excite various regional waves in a systematically-different manner. We have been carrying out a systematic study to retrieve source time functions (STFs) from seismic sources using the empirical Green's function (EGF) approach. In phase 1 of the study, we focus on retrieving STFs from moderate earthquakes in east and central Asia using regional Lg, Pg, Lg coda, and Sn and Pn waves to see whether or not the shape of the STFs varies with the wave type. We explored various methods to reduce the noise in the deconvolved STFs which tend to be higher for the relatively weaker Pg, Sn, Pn and coda waves. For example, an array-stacking method is used to enhance source pulses and reduce the level of side-lobes. Preliminary results suggest that Lg and Lg coda STFs may be similar, as generally believed. Pg STF is less similar to Lg STF. For example, when a stacked Lg STF is clearly asymmetric with a sharp-rise time, the stack Pg STF seems to be fairly symmetric. In general, our confidence on this kind of dissimilarity is still limited by the non-diminishing deconvolution noise in the retrieved Pg STFs, and by the small number of events studied. We are trying to further reduce the deconvolution noise for each regional wave, and find and analyze more moderate events. We will present newly-retrieved STFs from each of the various regional waves and coda, and compare the pulse widths and shapes of the STFs from different waves. We will also present estimates of source-radiated energy and apparent stresses using the estimated Lg STFs without using various simplified source models and Q corrections.

  7. Characteristics of seismic waves from Soviet peaceful nuclear explosions in salt

    SciTech Connect

    Adushkin, V.V.; Kaazik, P.B.; Kostyuchenko, V.N.; Kuznetsov, O.P.; Nedoshivin, N.I.; Rubinshtein, K.D.; Sultanov, D.D.

    1995-04-01

    The report is carried out by the Institute for Dynamics of the Geospheres, Russian Academy of Sciences under contract NB280344 with Lawrence Livermore National Laboratory, University of California. The work includes investigation of seismic waves generation and propagation from Soviet peaceful underground nuclear explosions in salt based on the data from temporary and permanent seismic stations. The explosions were conducted at the sites Azgir and Vega within the territory of the Caspian depression of the Russian platform. The data used were obtained in the following conditions of conduction: epicentral distance range from 0 to 60 degrees, yields from 1 to 65 kt and depths of burial from 160 to 1500 m.

  8. Efficient and Flexible Computation of Many-Electron Wave Function Overlaps

    PubMed Central

    2016-01-01

    A new algorithm for the computation of the overlap between many-electron wave functions is described. This algorithm allows for the extensive use of recurring intermediates and thus provides high computational efficiency. Because of the general formalism employed, overlaps can be computed for varying wave function types, molecular orbitals, basis sets, and molecular geometries. This paves the way for efficiently computing nonadiabatic interaction terms for dynamics simulations. In addition, other application areas can be envisaged, such as the comparison of wave functions constructed at different levels of theory. Aside from explaining the algorithm and evaluating the performance, a detailed analysis of the numerical stability of wave function overlaps is carried out, and strategies for overcoming potential severe pitfalls due to displaced atoms and truncated wave functions are presented. PMID:26854874

  9. Fractal dimensions of wave functions and local spectral measures on the Fibonacci chain

    NASA Astrophysics Data System (ADS)

    Macé, Nicolas; Jagannathan, Anuradha; Piéchon, Frédéric

    2016-05-01

    We present a theoretical framework for understanding the wave functions and spectrum of an extensively studied paradigm for quasiperiodic systems, namely the Fibonacci chain. Our analytical results, which are obtained in the limit of strong modulation of the hopping amplitudes, are in good agreement with published numerical data. In the perturbative limit, we show a symmetry of wave functions under permutation of site and energy indices. We compute the wave-function renormalization factors and from them deduce analytical expressions for the fractal exponents corresponding to individual wave functions, as well as their global averages. The multifractality of wave functions is seen to appear at next-to-leading order in ρ . Exponents for the local spectral density are given, in extremely good accord with numerical calculations. Interestingly, our analytical results for exponents are observed to describe the system rather well even for values of ρ well outside the domain of applicability of perturbation theory.

  10. Coherent cooling of atoms in a frequency-modulated standing laser wave: Wave function and stochastic trajectory approaches

    SciTech Connect

    Argonov, V. Yu.

    2014-11-15

    The wave function of a moderately cold atom in a stationary near-resonant standing light wave delocalizes very fast due to wave packet splitting. However, we show that frequency modulation of the field can suppress packet splitting for some atoms whose specific velocities are in a narrow range. These atoms remain localized in a small space for a long time. We demonstrate and explain this effect numerically and analytically. We also demonstrate that the modulated field can not only trap but also cool the atoms. We perform a numerical experiment with a large atomic ensemble having wide initial velocity and energy distributions. During the experiment, most of atoms leave the wave while the trapped atoms have a narrow energy distribution.

  11. Elevated copper impairs hepatic nuclear receptor function in Wilson's disease.

    PubMed

    Wooton-Kee, Clavia Ruth; Jain, Ajay K; Wagner, Martin; Grusak, Michael A; Finegold, Milton J; Lutsenko, Svetlana; Moore, David D

    2015-09-01

    Wilson's disease (WD) is an autosomal recessive disorder that results in accumulation of copper in the liver as a consequence of mutations in the gene encoding the copper-transporting P-type ATPase (ATP7B). WD is a chronic liver disorder, and individuals with the disease present with a variety of complications, including steatosis, cholestasis, cirrhosis, and liver failure. Similar to patients with WD, Atp7b⁻/⁻ mice have markedly elevated levels of hepatic copper and liver pathology. Previous studies have demonstrated that replacement of zinc in the DNA-binding domain of the estrogen receptor (ER) with copper disrupts specific binding to DNA response elements. Here, we found decreased binding of the nuclear receptors FXR, RXR, HNF4α, and LRH-1 to promoter response elements and decreased mRNA expression of nuclear receptor target genes in Atp7b⁻/⁻ mice, as well as in adult and pediatric WD patients. Excessive hepatic copper has been described in progressive familial cholestasis (PFIC), and we found that similar to individuals with WD, patients with PFIC2 or PFIC3 who have clinically elevated hepatic copper levels exhibit impaired nuclear receptor activity. Together, these data demonstrate that copper-mediated nuclear receptor dysfunction disrupts liver function in WD and potentially in other disorders associated with increased hepatic copper levels.

  12. Subshell fitting of relativistic atomic core electron densities for use in QTAIM analyses of ECP-based wave functions.

    PubMed

    Keith, Todd A; Frisch, Michael J

    2011-11-17

    Scalar-relativistic, all-electron density functional theory (DFT) calculations were done for free, neutral atoms of all elements of the periodic table using the universal Gaussian basis set. Each core, closed-subshell contribution to a total atomic electron density distribution was separately fitted to a spherical electron density function: a linear combination of s-type Gaussian functions. The resulting core subshell electron densities are useful for systematically and compactly approximating total core electron densities of atoms in molecules, for any atomic core defined in terms of closed subshells. When used to augment the electron density from a wave function based on a calculation using effective core potentials (ECPs) in the Hamiltonian, the atomic core electron densities are sufficient to restore the otherwise-absent electron density maxima at the nuclear positions and eliminate spurious critical points in the neighborhood of the atom, thus enabling quantum theory of atoms in molecules (QTAIM) analyses to be done in the neighborhoods of atoms for which ECPs were used. Comparison of results from QTAIM analyses with all-electron, relativistic and nonrelativistic molecular wave functions validates the use of the atomic core electron densities for augmenting electron densities from ECP-based wave functions. For an atom in a molecule for which a small-core or medium-core ECPs is used, simply representing the core using a simplistic, tightly localized electron density function is actually sufficient to obtain a correct electron density topology and perform QTAIM analyses to obtain at least semiquantitatively meaningful results, but this is often not true when a large-core ECP is used. Comparison of QTAIM results from augmenting ECP-based molecular wave functions with the realistic atomic core electron densities presented here versus augmenting with the limiting case of tight core densities may be useful for diagnosing the reliability of large-core ECP models in

  13. Compartmentalization and Functionality of Nuclear Disorder: Intrinsic Disorder and Protein-Protein Interactions in Intra-Nuclear Compartments

    PubMed Central

    Meng, Fanchi; Na, Insung; Kurgan, Lukasz; Uversky, Vladimir N.

    2015-01-01

    The cell nucleus contains a number of membrane-less organelles or intra-nuclear compartments. These compartments are dynamic structures representing liquid-droplet phases which are only slightly denser than the bulk intra-nuclear fluid. They possess different functions, have diverse morphologies, and are typically composed of RNA (or, in some cases, DNA) and proteins. We analyzed 3005 mouse proteins localized in specific intra-nuclear organelles, such as nucleolus, chromatin, Cajal bodies, nuclear speckles, promyelocytic leukemia (PML) nuclear bodies, nuclear lamina, nuclear pores, and perinuclear compartment and compared them with ~29,863 non-nuclear proteins from mouse proteome. Our analysis revealed that intrinsic disorder is enriched in the majority of intra-nuclear compartments, except for the nuclear pore and lamina. These compartments are depleted in proteins that lack disordered domains and enriched in proteins that have multiple disordered domains. Moonlighting proteins found in multiple intra-nuclear compartments are more likely to have multiple disordered domains. Protein-protein interaction networks in the intra-nuclear compartments are denser and include more hubs compared to the non-nuclear proteins. Hubs in the intra-nuclear compartments (except for the nuclear pore) are enriched in disorder compared with non-nuclear hubs and non-nuclear proteins. Therefore, our work provides support to the idea of the functional importance of intrinsic disorder in the cell nucleus and shows that many proteins associated with sub-nuclear organelles in nuclei of mouse cells are enriched in disorder. This high level of disorder in the mouse nuclear proteins defines their ability to serve as very promiscuous binders, possessing both large quantities of potential disorder-based interaction sites and the ability of a single such site to be involved in a large number of interactions. PMID:26712748

  14. Compartmentalization and Functionality of Nuclear Disorder: Intrinsic Disorder and Protein-Protein Interactions in Intra-Nuclear Compartments.

    PubMed

    Meng, Fanchi; Na, Insung; Kurgan, Lukasz; Uversky, Vladimir N

    2015-12-25

    The cell nucleus contains a number of membrane-less organelles or intra-nuclear compartments. These compartments are dynamic structures representing liquid-droplet phases which are only slightly denser than the bulk intra-nuclear fluid. They possess different functions, have diverse morphologies, and are typically composed of RNA (or, in some cases, DNA) and proteins. We analyzed 3005 mouse proteins localized in specific intra-nuclear organelles, such as nucleolus, chromatin, Cajal bodies, nuclear speckles, promyelocytic leukemia (PML) nuclear bodies, nuclear lamina, nuclear pores, and perinuclear compartment and compared them with ~29,863 non-nuclear proteins from mouse proteome. Our analysis revealed that intrinsic disorder is enriched in the majority of intra-nuclear compartments, except for the nuclear pore and lamina. These compartments are depleted in proteins that lack disordered domains and enriched in proteins that have multiple disordered domains. Moonlighting proteins found in multiple intra-nuclear compartments are more likely to have multiple disordered domains. Protein-protein interaction networks in the intra-nuclear compartments are denser and include more hubs compared to the non-nuclear proteins. Hubs in the intra-nuclear compartments (except for the nuclear pore) are enriched in disorder compared with non-nuclear hubs and non-nuclear proteins. Therefore, our work provides support to the idea of the functional importance of intrinsic disorder in the cell nucleus and shows that many proteins associated with sub-nuclear organelles in nuclei of mouse cells are enriched in disorder. This high level of disorder in the mouse nuclear proteins defines their ability to serve as very promiscuous binders, possessing both large quantities of potential disorder-based interaction sites and the ability of a single such site to be involved in a large number of interactions.

  15. Numerical methods for the calculation of special functions of wave catastrophes

    NASA Astrophysics Data System (ADS)

    Ipatov, E. B.; Lukin, D. S.; Palkin, E. A.

    1985-02-01

    The paper investigates the properties of special functions which are used for the asymptotic description of the structure of wave fields near various types of focusings. These functions are realized in software packages for the BESM-6 computer using FORTRAN. The canonical equations and basic properties of these functions are examined along with the development of numerical algorithms for their computation. These functions may be applied in the study of various types of wave problems, including: (1) radio wave propagation in the ionosphere and ionospheric waveguide channels; (2) the fine structure of sound fields in an acoustic duct; and (3) the focusing of laser radiation reflected from a rough surface.

  16. Covariant spectator theory of $np$ scattering:\\\\ Effective range expansions and relativistic deuteron wave functions

    SciTech Connect

    Franz Gross, Alfred Stadler

    2010-09-01

    We present the effective range expansions for the 1S0 and 3S1 scattering phase shifts, and the relativistic deuteron wave functions that accompany our recent high precision fits (with \\chi^2/N{data} \\simeq 1) to the 2007 world np data below 350 MeV. The wave functions are expanded in a series of analytical functions (with the correct asymptotic behavior at both large and small arguments) that can be Fourier-transformed from momentum to coordinate space and are convenient to use in any application. A fortran subroutine to compute these wave functions can be obtained from the authors.

  17. A global reanalysis of nuclear parton distribution functions

    NASA Astrophysics Data System (ADS)

    Eskola, Kari J.; Kolhinen, Vesa J.; Paukkunen, Hannu; Salgado, Carlos A.

    2007-05-01

    We determine the nuclear modifications of parton distribution functions of bound protons at scales Q2 >= 1.69 GeV2 and momentum fractions 10-5 <= x <= 1 in a global analysis which utilizes nuclear hard process data, sum rules and leading-order DGLAP scale evolution. The main improvements over our earlier work EKS98 are the automated χ2 minimization, simplified and better controllable fit functions, and most importantly, the possibility for error estimates. The resulting 16-parameter fit to the N = 514 datapoints is good, χ2/d.o.f = 0.82. Within the error estimates obtained, the old EKS98 parametrization is found to be fully consistent with the present analysis, with no essential difference in terms of χ2 either. We also determine separate uncertainty bands for the nuclear gluon and sea quark modifications in the large-x region where they are not stringently constrained by the available data. Comparison with other global analyses is shown and uncertainties demonstrated. Finally, we show that RHIC-BRAHMS data for inclusive hadron production in d+Au collisions lend support for a stronger gluon shadowing at x < 0.01 and also that fairly large changes in the gluon modifications do not rapidly deteriorate the goodness of the overall fits, as long as the initial gluon modifications in the region x ~ 0.02-0.04 remain small.

  18. Probability function of breaking-limited surface elevation. [wind generated waves of ocean

    NASA Technical Reports Server (NTRS)

    Tung, C. C.; Huang, N. E.; Yuan, Y.; Long, S. R.

    1989-01-01

    The effect of wave breaking on the probability function of surface elevation is examined. The surface elevation limited by wave breaking zeta sub b(t) is first related to the original wave elevation zeta(t) and its second derivative. An approximate, second-order, nonlinear, non-Gaussian model for zeta(t) of arbitrary but moderate bandwidth is presented, and an expression for the probability density function zeta sub b(t) is derived. The results show clearly that the effect of wave breaking on the probability density function of surface elevation is to introduce a secondary hump on the positive side of the probability density function, a phenomenon also observed in wind wave tank experiments.

  19. Nuclear receptor corepressor complexes in cancer: mechanism, function and regulation

    PubMed Central

    Wong, Madeline M; Guo, Chun; Zhang, Jinsong

    2014-01-01

    Nuclear receptor corepressor (NCoR) and silencing mediator for retinoid and thyroid hormone receptors (SMRT) function as corepressors for diverse transcription factors including nuclear receptors such as estrogen receptors and androgen receptors. Deregulated functions of NCoR and SMRT have been observed in many types of cancers and leukemias. NCoR and SMRT directly bind to transcription factors and nucleate the formation of stable complexes that include histone deacetylase 3, transducin b-like protein 1/TBL1-related protein 1, and G-protein pathway suppressor 2. These NCoR/SMRT-interacting proteins also show deregulated functions in cancers. In this review, we summarize the literature on the mechanism, regulation, and function of the core components of NCoR/SMRT complexes in the context of their involvement in cancers and leukemias. While the current studies support the view that the corepressors are promising targets for cancer treatment, elucidation of the mechanisms of corepressors involved in individual types of cancers is likely required for effective therapy. PMID:25374920

  20. Experimental demonstration of stimulated polarization wave in a chain of nuclear spins

    NASA Astrophysics Data System (ADS)

    Lee, Jae-Seung; Adams, Travis; Khitrin, Anatoly

    2007-03-01

    A one-dimensional Ising chain irradiated by weak resonant transverse field is the simplest model of quantum amplifier [Phys. Rev. A 71, 062338 (2005)]. The quantum state of the chain is stationary when all the qubits (spins) are in the same state. However, when the first qubit is flipped, it triggers a stimulated wave of flipped qubits, propagating through the chain. Such ``quantum domino" dynamics induces huge change in the total polarization, a macroscopic observable. Here we present the experimental demonstration of this quantum amplification process on a four-qubit system by using nuclear magnetic resonance technique. The physical system is a linear chain of four ^13C nuclear spins in a molecule of fully ^ 13C-labeled sodium butyrate dissolved in D2O. The pseudopure ground state (with all spins up) is prepared by multi-frequency partial saturation. The wave of flipped spins has been clearly observed when the first spin of the chain is flipped. We define a coefficient of amplification as the relative enhancement of the total polarization change. In our experimental system, the measured coefficient of amplification is about 3.

  1. Adhesive micropatterns to study intermediate filament function in nuclear positioning.

    PubMed

    Dupin, Isabelle; Elric, Julien; Etienne-Manneville, Sandrine

    2015-01-01

    The nucleus is generally found near the cell center; however its position can vary in response to extracellular or intracellular signals, leading to a polarized intracellular organization. Nuclear movement is mediated by the cytoskeleton and its associated motors. While the role of actin and microtubule cytoskeletons in nuclear positioning has been assessed in various systems, the contribution of intermediate filaments is less established due in part to the lack of tools to study intermediate filament functions. The methods described here use micropatterned substrates to impose reproducible cell shape and nucleus position. Intermediate filament organization can be perturbed using gene downregulation or upregulation; intermediate filaments can also be visualized using fluorescent intermediate filament proteins. This protocol is valuable for characterizing the role of intermediate filaments in a variety of live or fixed adherent cells.

  2. Nuclear chiral and magnetic rotation in covariant density functional theory

    NASA Astrophysics Data System (ADS)

    Meng, Jie; Zhao, Pengwei

    2016-05-01

    Excitations of chiral rotation observed in triaxial nuclei and magnetic and/or antimagnetic rotations (AMR) seen in near-spherical nuclei have attracted a lot of attention. Unlike conventional rotation in well-deformed or superdeformed nuclei, here the rotational axis is not necessary coinciding with any principal axis of the nuclear density distribution. Thus, tilted axis cranking (TAC) is mandatory to describe these excitations self-consistently in the framework of covariant density functional theory (CDFT). We will briefly introduce the formalism of TAC-CDFT and its application for magnetic and AMR phenomena. Configuration-fixed CDFT and its predictions for nuclear chiral configurations and for favorable triaxial deformation parameters are also presented, and the discoveries of the multiple chiral doublets in 133Ce and 103Rh are discussed.

  3. Coherent molecular transistor: Control through variation of the gate wave function

    SciTech Connect

    Ernzerhof, Matthias

    2014-03-21

    In quantum interference transistors (QUITs), the current through the device is controlled by variation of the gate component of the wave function that interferes with the wave function component joining the source and the sink. Initially, mesoscopic QUITs have been studied and more recently, QUITs at the molecular scale have been proposed and implemented. Typically, in these devices the gate lead is subjected to externally adjustable physical parameters that permit interference control through modifications of the gate wave function. Here, we present an alternative model of a molecular QUIT in which the gate wave function is directly considered as a variable and the transistor operation is discussed in terms of this variable. This implies that we specify the gate current as well as the phase of the gate wave function component and calculate the resulting current through the source-sink channel. Thus, we extend on prior works that focus on the phase of the gate wave function component as a control parameter while having zero or certain discrete values of the current. We address a large class of systems, including finite graphene flakes, and obtain analytic solutions for how the gate wave function controls the transistor.

  4. Longitudinal wave function control in single quantum dots with an applied magnetic field.

    PubMed

    Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

    2015-01-01

    Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots. PMID:25624018

  5. Coherent molecular transistor: control through variation of the gate wave function.

    PubMed

    Ernzerhof, Matthias

    2014-03-21

    In quantum interference transistors (QUITs), the current through the device is controlled by variation of the gate component of the wave function that interferes with the wave function component joining the source and the sink. Initially, mesoscopic QUITs have been studied and more recently, QUITs at the molecular scale have been proposed and implemented. Typically, in these devices the gate lead is subjected to externally adjustable physical parameters that permit interference control through modifications of the gate wave function. Here, we present an alternative model of a molecular QUIT in which the gate wave function is directly considered as a variable and the transistor operation is discussed in terms of this variable. This implies that we specify the gate current as well as the phase of the gate wave function component and calculate the resulting current through the source-sink channel. Thus, we extend on prior works that focus on the phase of the gate wave function component as a control parameter while having zero or certain discrete values of the current. We address a large class of systems, including finite graphene flakes, and obtain analytic solutions for how the gate wave function controls the transistor.

  6. Longitudinal wave function control in single quantum dots with an applied magnetic field

    PubMed Central

    Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A.; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

    2015-01-01

    Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots. PMID:25624018

  7. Continuous-Wave Operation of a Frequency-Tunable 460-GHz Second-Harmonic Gyrotron for Enhanced Nuclear Magnetic Resonance

    PubMed Central

    Torrezan, Antonio C.; Han, Seong-Tae; Mastovsky, Ivan; Shapiro, Michael A.; Sirigiri, Jagadishwar R.; Temkin, Richard J.; Griffin, Robert G.; Barnes, Alexander B.

    2012-01-01

    The design, operation, and characterization of a continuous-wave (CW) tunable second-harmonic 460-GHz gyrotron are reported. The gyrotron is intended to be used as a submillimeter-wave source for 700-MHz nuclear magnetic resonance experiments with sensitivity enhanced by dynamic nuclear polarization. The gyrotron operates in the whispering-gallery mode TE11,2 and has generated 16 W of output power with a 13-kV 100-mA electron beam. The start oscillation current measured over a range of magnetic field values is in good agreement with theoretical start currents obtained from linear theory for successive high-order axial modes TE11,2,q. The minimum start current is 27 mA. Power and frequency tuning measurements as a function of the electron cyclotron frequency have also been carried out. A smooth frequency tuning range of 1 GHz was obtained for the operating second-harmonic mode either by magnetic field tuning or beam voltage tuning. Long-term CW operation was evaluated during an uninterrupted period of 48 h, where the gyrotron output power and frequency were kept stable to within ±0.7% and ±6 ppm, respectively, by a computerized control system. Proper operation of an internal quasi-optical mode converter implemented to transform the operating whispering-gallery mode to a Gaussian-like beam was also verified. Based on the images of the gyrotron output beam taken with a pyroelectric camera, the Gaussian-like mode content of the output beam was computed to be 92% with an ellipticity of 12%. PMID:23761938

  8. Continuous-Wave Operation of a Frequency-Tunable 460-GHz Second-Harmonic Gyrotron for Enhanced Nuclear Magnetic Resonance

    PubMed Central

    Torrezan, Antonio C.; Han, Seong-Tae; Mastovsky, Ivan; Shapiro, Michael A.; Sirigiri, Jagadishwar R.; Temkin, Richard J.; Barnes, Alexander B.; Griffin, Robert G.

    2011-01-01

    The design, operation, and characterization of a continuous-wave (CW) tunable second-harmonic 460-GHz gyrotron are reported. The gyrotron is intended to be used as a submillimeter-wave source for 700-MHz nuclear magnetic resonance experiments with sensitivity enhanced by dynamic nuclear polarization. The gyrotron operates in the whispering-gallery mode TE11,2 and has generated 16 W of output power with a 13-kV 100-mA electron beam. The start oscillation current measured over a range of magnetic field values is in good agreement with theoretical start currents obtained from linear theory for successive high-order axial modes TE11,2,q. The minimum start current is 27 mA. Power and frequency tuning measurements as a function of the electron cyclotron frequency have also been carried out. A smooth frequency tuning range of 1 GHz was obtained for the operating second-harmonic mode either by magnetic field tuning or beam voltage tuning. Long-term CW operation was evaluated during an uninterrupted period of 48 h, where the gyrotron output power and frequency were kept stable to within ±0.7% and ±6 ppm, respectively, by a computerized control system. Proper operation of an internal quasi-optical mode converter implemented to transform the operating whispering-gallery mode to a Gaussian-like beam was also verified. Based on the images of the gyrotron output beam taken with a pyroelectric camera, the Gaussian-like mode content of the output beam was computed to be 92% with an ellipticity of 12%. PMID:21243088

  9. 7Be(p,(gamma))8B S-factor From Ab Initio Wave Functions

    SciTech Connect

    Navratil, P; Bertulani, C; Caurier, E

    2005-08-15

    Nuclear structure of {sup 7}Be, {sup 8}B and {sup 7,8}Li is studied within the ab initio no-core shell model (NCSM). Starting from the high-precision CD-Bonn 2000 nucleon-nucleon (NN) interaction, wave functions of {sup 7}Be and {sup 8}B bound states are obtained in basis spaces up to 10{h_bar}{Omega} and used to calculate channel cluster form factors (overlap integrals) of the {sup 8}B ground state with {sup 7}Be+p. Due to the use of the harmonic oscillator (HO) basis, the overlap integrals have incorrect asymptotic properties. We fix this problem in two alternative ways. First, by a Woods-Saxon (WS) potential solution fit to the interior of the NCSM overlap integrals. Second, by a direct matching with the Whittaker function. The corrected overlap integrals are then used for the {sup 7}Be(p,{gamma}){sup 8}B S-factor calculation. We study the convergence of the S-factor with respect to the NCSM HO frequency and the model space size. Our S-factor results are in agreement with recent direct measurement data.

  10. Propagation of ultrasonic Love waves in nonhomogeneous elastic functionally graded materials.

    PubMed

    Kiełczyński, P; Szalewski, M; Balcerzak, A; Wieja, K

    2016-02-01

    This paper presents a theoretical study of the propagation behavior of ultrasonic Love waves in nonhomogeneous functionally graded elastic materials, which is a vital problem in the mechanics of solids. The elastic properties (shear modulus) of a semi-infinite elastic half-space vary monotonically with the depth (distance from the surface of the material). The Direct Sturm-Liouville Problem that describes the propagation of Love waves in nonhomogeneous elastic functionally graded materials is formulated and solved by using two methods: i.e., (1) Finite Difference Method, and (2) Haskell-Thompson Transfer Matrix Method. The dispersion curves of phase and group velocity of surface Love waves in inhomogeneous elastic graded materials are evaluated. The integral formula for the group velocity of Love waves in nonhomogeneous elastic graded materials has been established. The effect of elastic non-homogeneities on the dispersion curves of Love waves is discussed. Two Love wave waveguide structures are analyzed: (1) a nonhomogeneous elastic surface layer deposited on a homogeneous elastic substrate, and (2) a semi-infinite nonhomogeneous elastic half-space. Obtained in this work, the phase and group velocity dispersion curves of Love waves propagating in the considered nonhomogeneous elastic waveguides have not previously been reported in the scientific literature. The results of this paper may give a deeper insight into the nature of Love waves propagation in elastic nonhomogeneous functionally graded materials, and can provide theoretical guidance for the design and optimization of Love wave based devices.

  11. Nuclear clustering in the energy density functional approach

    SciTech Connect

    Ebran, J.-P.; Khan, E.; Nikšić, T.; Vretenar, D.

    2015-10-15

    Nuclear Energy Density Functionals (EDFs) are a microscopic tool of choice extensively used over the whole chart to successfully describe the properties of atomic nuclei ensuing from their quantum liquid nature. In the last decade, they also have proved their ability to deal with the cluster phenomenon, shedding a new light on its fundamental understanding by treating on an equal footing both quantum liquid and cluster aspects of nuclei. Such a unified microscopic description based on nucleonic degrees of freedom enables to tackle the question pertaining to the origin of the cluster phenomenon and emphasizes intrinsic mechanisms leading to the emergence of clusters in nuclei.

  12. Characterization/Selection of a Continuous Wave Laser for RIMS Analysis in Nuclear Forensics

    NASA Astrophysics Data System (ADS)

    Lau, Sunny; Alves, F.; Karunasiri, G.; Smith, C.; Isselhardt, B.

    2015-03-01

    The effort to implement the technology of resonance ionization mass spectroscopy (RIMS) to problems of nuclear forensics involves the use of multiple lasers to selectively ionize the elements of concern. While current systems incorporate pulsed lasers, we present the results of a feasibility study to determine alternative (Continuous Wave) laser technologies to be employed for analysis of the actinides and fission products of debris from a nuclear detonation. RIMS has the potential to provide rapid isotope ratio quantification of the actinides and important fission products for post detonation nuclear forensics. The current approach to ionize uranium and plutonium uses three Ti-Sapphire pulsed lasers capable of a fundamental wavelength range of 700-1000 nm. In this work, we describe the use of a COTS CW laser to replace one of the pulsed lasers used for the second resonance excitation step of plutonium near 847.282 nm. We characterize the critical laser parameters necessary to achieve high precision isotope ratio measurements including the stability over time of the mean wavelength, bandwidth and spectral mode purity. This far narrower bandwidth laser provides a simpler setup, more robust hardware (greater mobility), and more efficient use of laser irradiance.

  13. Non-Gaussian wave functionals in Coulomb gauge Yang-Mills theory

    SciTech Connect

    Campagnari, Davide R.; Reinhardt, Hugo

    2010-11-15

    A general method to treat non-Gaussian vacuum wave functionals in the Hamiltonian formulation of a quantum field theory is presented. By means of Dyson-Schwinger techniques, the static Green functions are expressed in terms of the kernels arising in the Taylor expansion of the exponent of the vacuum wave functional. These kernels are then determined by minimizing the vacuum expectation value of the Hamiltonian. The method is applied to Yang-Mills theory in Coulomb gauge, using a vacuum wave functional whose exponent contains up to quartic terms in the gauge field. An estimate of the cubic and quartic interaction kernels is given using as input the gluon and ghost propagators found with a Gaussian wave functional.

  14. Semiclassical and quantum analysis of a free-particle Hermite wave function

    NASA Astrophysics Data System (ADS)

    Strange, P.

    2014-04-01

    In this Brief Report we discuss a solution of the free-particle Schrödinger equation in which the time and space dependence are not separable. The wave function is written as a product of exponential terms, Hermite polynomials, and a phase. The peaks in the wave function decelerate and then accelerate around t =0. We analyze this behavior within both a quantum and a semiclassical regime. We show that the acceleration does not represent true acceleration of the particle but can be related to the envelope function of the allowed classical paths. Comparison with other "accelerating" wave functions is also made. The analysis provides considerable insight into the meaning of the quantum wave function.

  15. Nuclear charge and neutron radii and nuclear matter: Trend analysis in Skyrme density-functional-theory approach

    NASA Astrophysics Data System (ADS)

    Reinhard, P.-G.; Nazarewicz, W.

    2016-05-01

    Background: Radii of charge and neutron distributions are fundamental nuclear properties. They depend on both nuclear interaction parameters related to the equation of state of infinite nuclear matter and on quantal shell effects, which are strongly impacted by the presence of nuclear surface. Purpose: In this work, by studying the correlation of charge and neutron radii, and neutron skin, with nuclear matter parameters, we assess different mechanisms that drive nuclear sizes. Method: We apply nuclear density functional theory using a family of Skyrme functionals obtained by means of optimization protocols, which do not include any radius information. By performing the Monte Carlo sampling of reasonable functionals around the optimal parametrization, we scan all correlations between nuclear matter properties and observables characterizing charge and neutron distributions of spherical closed-shell nuclei 48Ca,208Pb, and 298Fl. Results: By considering the influence of various nuclear matter properties on charge and neutron radii in a multidimensional parameter space of Skyrme functionals, we demonstrate the existence of two strong relationships: (i) between the nuclear charge radii and the saturation density of symmetric nuclear matter ρ0, and (ii) between the neutron skins and the slope of the symmetry energy L . The impact of other nuclear matter properties on nuclear radii is weak or nonexistent. For functionals optimized to experimental binding energies only, proton and neutron radii are found to be weakly correlated due to canceling trends from different nuclear matter characteristics. Conclusion: The existence of only two strong relations connecting nuclear radii with nuclear matter properties has important consequences. First, by requiring that the nuclear functional reproduces the empirical saturation point of symmetric nuclear matter practically fixes the charge (or proton) radii, and vice versa. This explains the recent results of ab initio calculations

  16. Data synthesis and display programs for wave distribution function analysis

    NASA Technical Reports Server (NTRS)

    Storey, L. R. O.; Yeh, K. J.

    1992-01-01

    At the National Space Science Data Center (NSSDC) software was written to synthesize and display artificial data for use in developing the methodology of wave distribution analysis. The software comprises two separate interactive programs, one for data synthesis and the other for data display.

  17. Green's function of the strip-slab guide by plane-wave-spectrum synthesis

    NASA Astrophysics Data System (ADS)

    Sen, T. K.; Basuray, A.; Datta, A. K.

    1987-11-01

    The application of the plane-wave-spectrum method to strip-slab waveguides is described. The dispersion equation of the structure is first evaluated from the condition of self-consistency of rays. By treating the modes as the superpositions of plane waves, Green's function for the structure is subsequently derived.

  18. Monitoring attosecond dynamics of coherent electron-nuclear wave packets by molecular high-order-harmonic generation

    SciTech Connect

    Bredtmann, Timm; Chelkowski, Szczepan; Bandrauk, Andre D.

    2011-08-15

    A pump-probe scheme for preparing and monitoring electron-nuclear motion in a dissociative coherent electron-nuclear wave packet is explored from numerical solutions of a non-Born-Oppenheimer time-dependent Schroedinger equation. A mid-ir intense few-cycle probe pulse is used to generate molecular high-order-harmonic generation (MHOHG) from a coherent superposition of two or more dissociative coherent electronic-nuclear wave packets, prepared by a femtosecond uv pump pulse. Varying the time delay between the intense ir probe pulse and the uv pump pulse by a few hundreds of attoseconds, the MHOHG signal intensity is shown to vary by orders of magnitude, thus showing the high sensitivity to electron-nuclear dynamics in coherent electron-nuclear wave packets. We relate this high sensitivity of MHOHG spectra to opposing electron velocities (fluxes) in the electron wave packets of the recombining (recolliding) ionized electron and of the bound electron in the initial coherent superposition of two electronic states.

  19. On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

    SciTech Connect

    McKechnie, Scott; Booth, George H.; Cohen, Aron J.; Cole, Jacqueline M.

    2015-05-21

    The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.

  20. On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies.

    PubMed

    McKechnie, Scott; Booth, George H; Cohen, Aron J; Cole, Jacqueline M

    2015-05-21

    The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.

  1. A Study on Propagation Characteristic of One-dimensional Stress Wave in Functionally Graded Armor Composites

    NASA Astrophysics Data System (ADS)

    Yang, S. Y.; Liu, X.; Cao, D. F.; Mei, H.; Lei, Z. T.; Liu, L. S.

    2013-03-01

    The development of Functionally Graded Materials (FGM) for energy-absorbing applications requires understanding of stress wave propagation in these structures in order to optimize their resistance to failure. One-dimensional stress wave in FGM composites under elastic and plastic wave loading have been investigated. The stress distributions through the thickness and stress status have been analyzed and some comparisons have been done with the materials of sharp interfaces (two-layered material). The results demonstrate that the gradient structure design greatly decreases the severity of the stress concentrations at the interfaces and there are no clear differences in stress distribution in FGM composites under elastic and plastic wave loading.

  2. RADIATION WAVE DETECTION

    DOEpatents

    Wouters, L.F.

    1960-08-30

    Radiation waves can be detected by simultaneously measuring radiation- wave intensities at a plurality of space-distributed points and producing therefrom a plot of the wave intensity as a function of time. To this end. a detector system is provided which includes a plurality of nuclear radiation intensity detectors spaced at equal radial increments of distance from a source of nuclear radiation. Means are provided to simultaneously sensitize the detectors at the instant a wave of radiation traverses their positions. the detectors producing electrical pulses indicative of wave intensity. The system further includes means for delaying the pulses from the detectors by amounts proportional to the distance of the detectors from the source to provide an indication of radiation-wave intensity as a function of time.

  3. Next Generation Nuclear Plant Resilient Control System Functional Analysis

    SciTech Connect

    Lynne M. Stevens

    2010-07-01

    Control Systems and their associated instrumentation must meet reliability, availability, maintainability, and resiliency criteria in order for high temperature gas-cooled reactors (HTGRs) to be economically competitive. Research, perhaps requiring several years, may be needed to develop control systems to support plant availability and resiliency. This report functionally analyzes the gaps between traditional and resilient control systems as applicable to HTGRs, which includes the Next Generation Nuclear Plant; defines resilient controls; assesses the current state of both traditional and resilient control systems; and documents the functional gaps existing between these two controls approaches as applicable to HTGRs. This report supports the development of an overall strategy for applying resilient controls to HTGRs by showing that control systems with adequate levels of resilience perform at higher levels, respond more quickly to disturbances, increase operational efficiency, and increase public protection.

  4. Nuclear PTEN tumor-suppressor functions through maintaining heterochromatin structure.

    PubMed

    Gong, Lili; Govan, Jeane M; Evans, Elizabeth B; Dai, Hui; Wang, Edward; Lee, Szu-Wei; Lin, Hui-Kuan; Lazar, Alexander J; Mills, Gordon B; Lin, Shiaw-Yih

    2015-01-01

    The tumor suppressor, PTEN, is one of the most commonly mutated genes in cancer. Recently, PTEN has been shown to localize in the nucleus and is required to maintain genomic stability. Here, we show that nuclear PTEN, independent of its phosphatase activity, is essential for maintaining heterochromatin structure. Depletion of PTEN leads to loss of heterochromatic foci, decreased chromatin compaction, overexpression of heterochromatic genes, and reduced protein stability of heterochromatin protein 1 α. We found that the C-terminus of PTEN is required to maintain heterochromatin structure. Additionally, cancer-associated PTEN mutants lost their tumor-suppressor function when their heterochromatin structure was compromised. We propose that this novel role of PTEN accounts for its function in guarding genomic stability and suppressing tumor development. PMID:25946202

  5. Global NLO Analysis of Nuclear Parton Distribution Functions

    SciTech Connect

    Hirai, M.; Kumano, S.; Nagai, T.-H.

    2008-02-21

    Nuclear parton distribution functions (NPDFs) are determined by a global analysis of experimental measurements on structure-function ratios F{sub 2}{sup A}/F{sub 2}{sup A{sup '}} and Drell-Yan cross section ratios {sigma}{sub DY}{sup A}/{sigma}{sub DY}{sup A{sup '}}, and their uncertainties are estimated by the Hessian method. The NPDFs are obtained in both leading order (LO) and next-to-leading order (NLO) of {alpha}{sub s}. As a result, valence-quark distributions are relatively well determined, whereas antiquark distributions at x>0.2 and gluon distributions in the whole x region have large uncertainties. The NLO uncertainties are slightly smaller than the LO ones; however, such a NLO improvement is not as significant as the nucleonic case.

  6. Nuclear PTEN tumor-suppressor functions through maintaining heterochromatin structure

    PubMed Central

    Gong, Lili; Govan, Jeane M; Evans, Elizabeth B; Dai, Hui; Wang, Edward; Lee, Szu-Wei; Lin, Hui-Kuan; Lazar, Alexander J; Mills, Gordon B; Lin, Shiaw-Yih

    2015-01-01

    The tumor suppressor, PTEN, is one of the most commonly mutated genes in cancer. Recently, PTEN has been shown to localize in the nucleus and is required to maintain genomic stability. Here, we show that nuclear PTEN, independent of its phosphatase activity, is essential for maintaining heterochromatin structure. Depletion of PTEN leads to loss of heterochromatic foci, decreased chromatin compaction, overexpression of heterochromatic genes, and reduced protein stability of heterochromatin protein 1 α. We found that the C-terminus of PTEN is required to maintain heterochromatin structure. Additionally, cancer-associated PTEN mutants lost their tumor-suppressor function when their heterochromatin structure was compromised. We propose that this novel role of PTEN accounts for its function in guarding genomic stability and suppressing tumor development. PMID:25946202

  7. A Study of Regional Wave Source Time Functions of Central Asian Earthquakes

    NASA Astrophysics Data System (ADS)

    Xie, J.; Perry, M. R.; Schult, F. R.; Wood, J.

    2014-12-01

    Despite the extensive use of seismic regional waves in seismic event identification and attenuation tomography, very little is known on how seismic sources radiate energy into these waves. For example, whether regional Lg wave has the same source spectrum as that of the local S has been questioned by Harr et al. and Frenkel et al. three decades ago; many current investigators assume source spectra in Lg, Sn, Pg, Pn and Lg coda waves have either the same or very similar corner frequencies, in contrast to local P and S spectra whose corner frequencies differ. The most complete information on how the finite source ruptures radiate energy into regional waves is contained in the time domain source time functions (STFs). To estimate the STFs of regional waves using the empirical Green's function (EGF) method, we have been substantially modifying a semi-automotive computer procedure to cope with the increasingly diverse and inconsistent naming patterns of new data files from the IRIS DMC. We are applying the modified procedure to many earthquakes in central Asia to study the STFs of various regional waves to see whether they have the same durations and pulse shapes, and how frequently source directivity occur. When applicable, we also examine the differences between STFs of local P and S waves and those of regional waves. The result of these analyses will be presented at the meeting.

  8. Green`s function implementation of common-offset, wave-equation migration

    SciTech Connect

    Ehinger, A.; Lailly, P.; Marfurt, K.J.

    1996-11-01

    Common-offset migration is extremely important in the context of migration velocity analysis (MVA) since it generates geologically interpretable migrated images. However, only a wave-equation-based migration handles multipathing of energy in contrast to the popular Kirchhoff migration with first-arrival traveltimes. The authors have combined the superior treatment of multipathing of energy by wave-equation-based migration with the advantages of the common-offset domain for MVA by implementing wave-equation migration algorithms via the use of finite-difference Green`s functions. With this technique, the authors are able to apply wave-equation migration in measurement configurations that are usually considered to be of the realm of Kirchhoff migration. In particular, wave-equation migration of common offset sections becomes feasible. The application of the wave-equation, common-offset migration algorithm to the Marmousi data set confirms the large increase in interpretability of individual migrated sections, for about twice the cost of standard wave-equation common-shot migration. The implementation of wave-equation migration via the Green`s functions is based on wavefield extrapolation via paraxial one-way wave equations. For these equations, theoretical results allow one to perform exact inverse extrapolation of wavefields.

  9. Characterizing the parent Hamiltonians for a complete set of orthogonal wave functions: An inverse quantum problem

    NASA Astrophysics Data System (ADS)

    Ramezanpour, A.

    2016-06-01

    We study the inverse problem of constructing an appropriate Hamiltonian from a physically reasonable set of orthogonal wave functions for a quantum spin system. Usually, we are given a local Hamiltonian and our goal is to characterize the relevant wave functions and energies (the spectrum) of the system. Here, we take the opposite approach; starting from a reasonable collection of orthogonal wave functions, we try to characterize the associated parent Hamiltonians, to see how the wave functions and the energy values affect the structure of the parent Hamiltonian. Specifically, we obtain (quasi) local Hamiltonians by a complete set of (multilayer) product states and a local mapping of the energy values to the wave functions. On the other hand, a complete set of tree wave functions (having a tree structure) results to nonlocal Hamiltonians and operators which flip simultaneously all the spins in a single branch of the tree graph. We observe that even for a given set of basis states, the energy spectrum can significantly change the nature of interactions in the Hamiltonian. These effects can be exploited in a quantum engineering problem optimizing an objective functional of the Hamiltonian.

  10. Wave function for dissipative harmonically confined electrons in a time-dependent electric field

    NASA Astrophysics Data System (ADS)

    Lai, Meng-Yun; Pan, Xiao-Yin; Li, Yu-Qi

    2016-07-01

    We investigate the many-body wave function of a dissipative system of interacting particles confined by a harmonic potential and perturbed by a time-dependent spatially homogeneous electric field. Applying the method of Yu and Sun (1994), it is found that the wave function is comprised of a phase factor times the solution to the unperturbed time-dependent (TD) Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical damped driven equation of motion, plus an addition fluctuation term due to the Brownian motion. The wave function reduces to that of the Harmonic Potential Theorem (HPT) wave function in the absence of the dissipation. An example of application of the results derived is also given.

  11. Approximate analytical time-domain Green's functions for the Caputo fractional wave equation.

    PubMed

    Kelly, James F; McGough, Robert J

    2016-08-01

    The Caputo fractional wave equation [Geophys. J. R. Astron. Soc. 13, 529-539 (1967)] models power-law attenuation and dispersion for both viscoelastic and ultrasound wave propagation. The Caputo model can be derived from an underlying fractional constitutive equation and is causal. In this study, an approximate analytical time-domain Green's function is derived for the Caputo equation in three dimensions (3D) for power law exponents greater than one. The Green's function consists of a shifted and scaled maximally skewed stable distribution multiplied by a spherical spreading factor 1/(4πR). The approximate one dimensional (1D) and two dimensional (2D) Green's functions are also computed in terms of stable distributions. Finally, this Green's function is decomposed into a loss component and a diffraction component, revealing that the Caputo wave equation may be approximated by a coupled lossless wave equation and a fractional diffusion equation. PMID:27586735

  12. Asymptotic-boundary-layer method for unstable trajectories: semiclassical expansions for individual scar wave functions.

    PubMed

    Vagov, A; Schomerus, H; Zalipaev, V V

    2009-11-01

    We extend the asymptotic boundary layer (ABL) method, originally developed for stable resonator modes, to the description of individual wave functions localized around unstable periodic orbits. The formalism applies to the description of scar states in fully or partially chaotic quantum systems, and also allows for the presence of smooth and sharp potentials, as well as magnetic fields. We argue that the separatrix wave function provides the largest contribution to the scars on a single wave function. This agrees with earlier results on the wave-function asymptotics and on the quantization condition of the scar states. Predictions of the ABL formalism are compared with the exact numerical solution for a strip resonator with a parabolic confinement potential and a magnetic field. PMID:20365055

  13. Continuity Conditions on Schrodinger Wave Functions at Discontinuities of the Potential.

    ERIC Educational Resources Information Center

    Branson, David

    1979-01-01

    Several standard arguments which attempt to show that the wave function and its derivative must be continuous across jump discontinuities of the potential are reviewed and their defects discussed. (Author/HM)

  14. Wave functions of symmetry-protected topological phases from conformal field theories

    NASA Astrophysics Data System (ADS)

    Scaffidi, Thomas; Ringel, Zohar

    2016-03-01

    We propose a method for analyzing two-dimensional symmetry-protected topological (SPT) wave functions using a correspondence with conformal field theories (CFTs) and integrable lattice models. This method generalizes the CFT approach for the fractional quantum Hall effect wherein the wave-function amplitude is written as a many-operator correlator in the CFT. Adopting a bottom-up approach, we start from various known microscopic wave functions of SPTs with discrete symmetries and show how the CFT description emerges at large scale, thereby revealing a deep connection between group cocycles and critical, sometimes integrable, models. We show that the CFT describing the bulk wave function is often also the one describing the entanglement spectrum, but not always. Using a plasma analogy, we also prove the existence of hidden quasi-long-range order for a large class of SPTs. Finally, we show how response to symmetry fluxes is easily described in terms of the CFT.

  15. Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

    PubMed

    Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

    2016-07-12

    A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

  16. Analysis of Real Ship Rolling Dynamics under Wave Excitement Force Composed of Sums of Cosine Functions

    SciTech Connect

    Zhang, Y. S.; Cai, F.; Xu, W. M.

    2011-09-28

    The ship motion equation with a cosine wave excitement force describes the slip moments in regular waves. A new kind of wave excitement force model, with the form as sums of cosine functions was proposed to describe ship rolling in irregular waves. Ship rolling time series were obtained by solving the ship motion equation with the fourth-order-Runger-Kutta method. These rolling time series were synthetically analyzed with methods of phase-space track, power spectrum, primary component analysis, and the largest Lyapunove exponent. Simulation results show that ship rolling presents some chaotic characteristic when the wave excitement force was applied by sums of cosine functions. The result well explains the course of ship rolling's chaotic mechanism and is useful for ship hydrodynamic study.

  17. Bragg scattering as a probe of atomic wave functions and quantum phase transitions in optical lattices.

    PubMed

    Miyake, Hirokazu; Siviloglou, Georgios A; Puentes, Graciana; Pritchard, David E; Ketterle, Wolfgang; Weld, David M

    2011-10-21

    We have observed Bragg scattering of photons from quantum degenerate ^{87}Rb atoms in a three-dimensional optical lattice. Bragg scattered light directly probes the microscopic crystal structure and atomic wave function whose position and momentum width is Heisenberg limited. The spatial coherence of the wave function leads to revivals in the Bragg scattered light due to the atomic Talbot effect. The decay of revivals across the superfluid to Mott insulator transition indicates the loss of superfluid coherence.

  18. Bragg scattering as a probe of atomic wave functions and quantum phase transitions in optical lattices.

    PubMed

    Miyake, Hirokazu; Siviloglou, Georgios A; Puentes, Graciana; Pritchard, David E; Ketterle, Wolfgang; Weld, David M

    2011-10-21

    We have observed Bragg scattering of photons from quantum degenerate ^{87}Rb atoms in a three-dimensional optical lattice. Bragg scattered light directly probes the microscopic crystal structure and atomic wave function whose position and momentum width is Heisenberg limited. The spatial coherence of the wave function leads to revivals in the Bragg scattered light due to the atomic Talbot effect. The decay of revivals across the superfluid to Mott insulator transition indicates the loss of superfluid coherence. PMID:22107532

  19. Spinless relativistic particle in energy-dependent potential and normalization of the wave function

    NASA Astrophysics Data System (ADS)

    Benchikha, Amar; Chetouani, Lyazid

    2014-06-01

    The problem of normalization related to a Klein-Gordon particle subjected to vector plus scalar energy-dependent potentials is clarified in the context of the path integral approach. In addition the correction relating to the normalizing constant of wave functions is exactly determined. As examples, the energy dependent linear and Coulomb potentials are considered. The wave functions obtained via spectral decomposition, were found exactly normalized.

  20. sup 4 He- sup 4 He elastic scattering and variational wave functions

    SciTech Connect

    Usmani, A.A.; Ahmad, I. ); Usmani, Q.N. )

    1992-01-01

    We calculate differential cross sections for {sup 4}He-{sup 4}He elastic scattering at 4.32 GeV/{ital c} in the framework of Glauber multiple scattering theory using correlated variational wave functions as given by the two-nucleon Urbana {ital v}{sub 14} potential and the spin-isospin averaged Melfleit-Tjon force {ital V}. These wave functions are found to give fairly satisfactory results.

  1. Modeling the Pulse Signal by Wave-Shape Function and Analyzing by Synchrosqueezing Transform

    PubMed Central

    Wang, Chun-Li; Yang, Yueh-Lung; Wu, Wen-Hsiang; Tsai, Tung-Hu; Chang, Hen-Hong

    2016-01-01

    We apply the recently developed adaptive non-harmonic model based on the wave-shape function, as well as the time-frequency analysis tool called synchrosqueezing transform (SST) to model and analyze oscillatory physiological signals. To demonstrate how the model and algorithm work, we apply them to study the pulse wave signal. By extracting features called the spectral pulse signature, and based on functional regression, we characterize the hemodynamics from the radial pulse wave signals recorded by the sphygmomanometer. Analysis results suggest the potential of the proposed signal processing approach to extract health-related hemodynamics features. PMID:27304979

  2. Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions.

    PubMed

    Van Raemdonck, Mario; Alcoba, Diego R; Poelmans, Ward; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Van Neck, Dimitri; Bultinck, Patrick

    2015-09-14

    A class of polynomial scaling methods that approximate Doubly Occupied Configuration Interaction (DOCI) wave functions and improve the description of dynamic correlation is introduced. The accuracy of the resulting wave functions is analysed by comparing energies and studying the overlap between the newly developed methods and full configuration interaction wave functions, showing that a low energy does not necessarily entail a good approximation of the exact wave function. Due to the dependence of DOCI wave functions on the single-particle basis chosen, several orbital optimisation algorithms are introduced. An energy-based algorithm using the simulated annealing method is used as a benchmark. As a computationally more affordable alternative, a seniority number minimising algorithm is developed and compared to the energy based one revealing that the seniority minimising orbital set performs well. Given a well-chosen orbital basis, it is shown that the newly developed DOCI based wave functions are especially suitable for the computationally efficient description of static correlation and to lesser extent dynamic correlation.

  3. Structure of Ground state Wave Functions for the Fractional Quantum Hall Effect: A Variational Approach

    NASA Astrophysics Data System (ADS)

    Mukherjee, Sutirtha; Mandal, Sudhansu

    The internal structure and topology of the ground states for fractional quantum Hall effect (FQHE) are determined by the relative angular momenta between all the possible pairs of electrons. Laughlin wave function is the only known microscopic wave function for which these relative angular momenta are homogeneous (same) for any pair of electrons and depend solely on the filling factor. Without invoking any microscopic theory, considering only the relationship between number of flux quanta and particles in spherical geometry, and allowing the possibility of inhomogeneous (different) relative angular momenta between any two electrons, we develop a general method for determining a closed-form ground state wave function for any incompressible FQHE state. Our procedure provides variationally obtained very accurate wave functions, yet having simpler structure compared to any other known complex microscopic wave functions for the FQHE states. This method, thus, has potential in predicting a very accurate ground state wave function for the puzzling states such as the state at filling fraction 5/2. We acknowledge support from Department of Science and Technology, India.

  4. A whole-space transform formula of cylindrical wave functions for scattering problems

    NASA Astrophysics Data System (ADS)

    Yuan, Xiaoming

    2014-03-01

    The theory of elastic wave scattering is a fundamental concept in the study of elastic dynamics and wave motion, and the wave function expansion technique has been widely used in many subjects. To supply the essential tools for solving wave scattering problems induced by an eccentric source or multi-sources as well as multi-scatters, a whole-space transform formula of cylindrical wave functions is presented and its applicability to some simple cases is demonstrated in this study. The transforms of wave functions in cylindrical coordinates can be classified into two basic types: interior transform and exterior transform, and the existing Graf's addition theorem is only suitable for the former. By performing a new replacement between the two coordinates, the exterior transform formula is first deduced. It is then combined with Graf's addition theorem to establish a whole-space transform formula. By using the whole-space transform formula, the scattering solutions by the sources outside and inside a cylindrical cavity are constructed as examples of its application. The effectiveness and advantages of the whole-space transform formula is illustrated by comparison with the approximate model based on a large cycle method. The whole-space transform formula presented herein can be used to perform the transform between two different cylindrical coordinates in the whole space. In addition, its concept and principle are universal and can be further extended to establish the coordinate transform formula of wave functions in other coordinate systems.

  5. Asymmetric radiation of seismic waves from an atoll: nuclear tests in French Polynesia

    USGS Publications Warehouse

    Weber, Michael; Wicks, Charles W.; Krüger, Frank; Jahnke, Gunnar; Schlittenhardt, Jörg

    1998-01-01

    Seismic records of nuclear tests detonated in the Mururoa Atoll in French Polynesia show large unpredicted arrivals 2.2 and 4.5 seconds (X1 and X2) after the P-wave at the Australian Warramunga Array. These arrivals are not observed at the Canadian Yellowknife Array. X1 and X2 are also absent on Warramunga Array recordings of tests carried out at the Fangataufa Atoll situated 40 km SSE of Mururoa. Array analysis shows that X1 and X2 are produced within the source area. The layered crustal structure of the atoll, significant local inhomogeneities, and focusing effects due to the elongated shape and the steep flanks of the Mururoa Atoll are most likely responsible for X1 and X2. The form of Mururoa (28 × 10 km) and its East-West orientation is due to its location on the Austral Fracture Zone (AFZ). The Fangataufa Atoll on the other hand is almost circular (10 km diameter) and is unaffected by the dynamics along the AFZ. Our observations demonstrate that complicated structures in the source area can significantly alter the wave field at teleseismic distances and produce a large magnitude (mb) bias. A better understanding of the exact cause of these unusual seismic observations will only become possible, if the coordinates of the tests and information on the detailed 3-D structure of the atolls are released.

  6. The Dynamic Dielectric at a Brain Functional Site and an EM Wave Approach to Functional Brain Imaging

    PubMed Central

    Li, X. P.; Xia, Q.; Qu, D.; Wu, T. C.; Yang, D. G.; Hao, W. D.; Jiang, X.; Li, X. M.

    2014-01-01

    Functional brain imaging has tremendous applications. The existing methods for functional brain imaging include functional Magnetic Resonant Imaging (fMRI), scalp electroencephalography (EEG), implanted EEG, magnetoencephalography (MEG) and Positron Emission Tomography (PET), which have been widely and successfully applied to various brain imaging studies. To develop a new method for functional brain imaging, here we show that the dielectric at a brain functional site has a dynamic nature, varying with local neuronal activation as the permittivity of the dielectric varies with the ion concentration of the extracellular fluid surrounding neurons in activation. Therefore, the neuronal activation can be sensed by a radiofrequency (RF) electromagnetic (EM) wave propagating through the site as the phase change of the EM wave varies with the permittivity. Such a dynamic nature of the dielectric at a brain functional site provides the basis for an RF EM wave approach to detecting and imaging neuronal activation at brain functional sites, leading to an RF EM wave approach to functional brain imaging. PMID:25367217

  7. The dynamic dielectric at a brain functional site and an EM wave approach to functional brain imaging.

    PubMed

    Li, X P; Xia, Q; Qu, D; Wu, T C; Yang, D G; Hao, W D; Jiang, X; Li, X M

    2014-11-04

    Functional brain imaging has tremendous applications. The existing methods for functional brain imaging include functional Magnetic Resonant Imaging (fMRI), scalp electroencephalography (EEG), implanted EEG, magnetoencephalography (MEG) and Positron Emission Tomography (PET), which have been widely and successfully applied to various brain imaging studies. To develop a new method for functional brain imaging, here we show that the dielectric at a brain functional site has a dynamic nature, varying with local neuronal activation as the permittivity of the dielectric varies with the ion concentration of the extracellular fluid surrounding neurons in activation. Therefore, the neuronal activation can be sensed by a radiofrequency (RF) electromagnetic (EM) wave propagating through the site as the phase change of the EM wave varies with the permittivity. Such a dynamic nature of the dielectric at a brain functional site provides the basis for an RF EM wave approach to detecting and imaging neuronal activation at brain functional sites, leading to an RF EM wave approach to functional brain imaging.

  8. EDF: Computing electron number probability distribution functions in real space from molecular wave functions

    NASA Astrophysics Data System (ADS)

    Francisco, E.; Pendás, A. Martín; Blanco, M. A.

    2008-04-01

    Given an N-electron molecule and an exhaustive partition of the real space ( R) into m arbitrary regions Ω,Ω,…,Ω ( ⋃i=1mΩ=R), the edf program computes all the probabilities P(n,n,…,n) of having exactly n electrons in Ω, n electrons in Ω,…, and n electrons ( n+n+⋯+n=N) in Ω. Each Ω may correspond to a single basin (atomic domain) or several such basins (functional group). In the later case, each atomic domain must belong to a single Ω. The program can manage both single- and multi-determinant wave functions which are read in from an aimpac-like wave function description ( .wfn) file (T.A. Keith et al., The AIMPAC95 programs, http://www.chemistry.mcmaster.ca/aimpac, 1995). For multi-determinantal wave functions a generalization of the original .wfn file has been introduced. The new format is completely backwards compatible, adding to the previous structure a description of the configuration interaction (CI) coefficients and the determinants of correlated wave functions. Besides the .wfn file, edf only needs the overlap integrals over all the atomic domains between the molecular orbitals (MO). After the P(n,n,…,n) probabilities are computed, edf obtains from them several magnitudes relevant to chemical bonding theory, such as average electronic populations and localization/delocalization indices. Regarding spin, edf may be used in two ways: with or without a splitting of the P(n,n,…,n) probabilities into α and β spin components. Program summaryProgram title: edf Catalogue identifier: AEAJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAJ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5387 No. of bytes in distributed program, including test data, etc.: 52 381 Distribution format: tar.gz Programming language: Fortran 77 Computer

  9. Mayer waves reduce the accuracy of estimated hemodynamic response functions in functional near-infrared spectroscopy

    PubMed Central

    Yücel, Meryem A.; Selb, Juliette; Aasted, Christopher M.; Lin, Pei-Yi; Borsook, David; Becerra, Lino; Boas, David A.

    2016-01-01

    Analysis of cerebral hemodynamics reveals a wide spectrum of oscillations ranging from 0.0095 to 2 Hz. While most of these oscillations can be filtered out during analysis of functional near-infrared spectroscopy (fNIRS) signals when estimating stimulus evoked hemodynamic responses, oscillations around 0.1 Hz are an exception. This is due to the fact that they share a common spectral range with typical stimulus evoked hemodynamic responses from the brain. Here we investigate the effect of hemodynamic oscillations around 0.1 Hz on the estimation of hemodynamic response functions from fNIRS data. Our results show that for an expected response of ~1 µM in oxygenated hemoglobin concentration (HbO), Mayer wave oscillations with an amplitude > ~1 µM at 0.1 Hz reduce the accuracy of the estimated response as quantified by a 3 fold increase in the mean squared error and decrease in correlation (R2 below 0.78) when compared to the true HRF. These results indicate that the amplitude of oscillations at 0.1 Hz can serve as an objective metric of the expected HRF estimation accuracy. In addition, we investigated the effect of short separation regression on the recovered HRF, and found that this improves the recovered HRF when large amplitude 0.1 Hz oscillations are present in fNIRS data. We suspect that the development of other filtering strategies may provide even further improvement. PMID:27570699

  10. Mayer waves reduce the accuracy of estimated hemodynamic response functions in functional near-infrared spectroscopy.

    PubMed

    Yücel, Meryem A; Selb, Juliette; Aasted, Christopher M; Lin, Pei-Yi; Borsook, David; Becerra, Lino; Boas, David A

    2016-08-01

    Analysis of cerebral hemodynamics reveals a wide spectrum of oscillations ranging from 0.0095 to 2 Hz. While most of these oscillations can be filtered out during analysis of functional near-infrared spectroscopy (fNIRS) signals when estimating stimulus evoked hemodynamic responses, oscillations around 0.1 Hz are an exception. This is due to the fact that they share a common spectral range with typical stimulus evoked hemodynamic responses from the brain. Here we investigate the effect of hemodynamic oscillations around 0.1 Hz on the estimation of hemodynamic response functions from fNIRS data. Our results show that for an expected response of ~1 µM in oxygenated hemoglobin concentration (HbO), Mayer wave oscillations with an amplitude > ~1 µM at 0.1 Hz reduce the accuracy of the estimated response as quantified by a 3 fold increase in the mean squared error and decrease in correlation (R(2) below 0.78) when compared to the true HRF. These results indicate that the amplitude of oscillations at 0.1 Hz can serve as an objective metric of the expected HRF estimation accuracy. In addition, we investigated the effect of short separation regression on the recovered HRF, and found that this improves the recovered HRF when large amplitude 0.1 Hz oscillations are present in fNIRS data. We suspect that the development of other filtering strategies may provide even further improvement. PMID:27570699

  11. The effects of extracorporeal shock wave therapy on frozen shoulder patients’ pain and functions

    PubMed Central

    Park, Chan; Lee, Sangyong; Yi, Chae-Woo; Lee, Kwansub

    2015-01-01

    [Purpose] The present study was conducted to examine the effects of extracorporeal shock wave therapy on frozen shoulder patients’ pain and functions. [Subjects] In the present study, 30 frozen shoulder patients were divided into two groups: an extracorporeal shock wave therapy group of 15 patients and a conservative physical therapy group of 15 patients. [Methods] Two times per week for six weeks, the extracorporeal shock wave therapy group underwent extracorporeal shock wave therapy, and the conservative physical therapy group underwent general physical therapy. Visual analog scales were used to measure frozen shoulder patients’ pain, and patient-specific functional scales were used to evaluate the degree of functional disorders. [Results] In intra-group comparisons, the two groups showed significant decreases in terms of visual analog scales and patient-specific functional scales, although the extracorporeal shock wave therapy group showed significantly lower scores than the conservative physical therapy group. [Conclusion] Extracorporeal shock wave therapy is considered an effective intervention for improving frozen shoulder patients’ pain and functions. PMID:26834326

  12. The effects of extracorporeal shock wave therapy on frozen shoulder patients' pain and functions.

    PubMed

    Park, Chan; Lee, Sangyong; Yi, Chae-Woo; Lee, Kwansub

    2015-12-01

    [Purpose] The present study was conducted to examine the effects of extracorporeal shock wave therapy on frozen shoulder patients' pain and functions. [Subjects] In the present study, 30 frozen shoulder patients were divided into two groups: an extracorporeal shock wave therapy group of 15 patients and a conservative physical therapy group of 15 patients. [Methods] Two times per week for six weeks, the extracorporeal shock wave therapy group underwent extracorporeal shock wave therapy, and the conservative physical therapy group underwent general physical therapy. Visual analog scales were used to measure frozen shoulder patients' pain, and patient-specific functional scales were used to evaluate the degree of functional disorders. [Results] In intra-group comparisons, the two groups showed significant decreases in terms of visual analog scales and patient-specific functional scales, although the extracorporeal shock wave therapy group showed significantly lower scores than the conservative physical therapy group. [Conclusion] Extracorporeal shock wave therapy is considered an effective intervention for improving frozen shoulder patients' pain and functions.

  13. Modified Dihadron Fragmentation Functions in Hot and Nuclear Matter

    SciTech Connect

    Majumder, A.; Wang Enke; Wang Xinnian

    2007-10-12

    Medium modification of dihadron fragmentation functions due to gluon bremsstrahlung induced by multiple partonic scattering is studied in both deep-inelastic scattering (DIS) off large nuclei and high-energy heavy-ion collisions within the same framework of twist expansion. The modification for dihadrons is found to closely follow that for single hadrons, leading to a weak nuclear suppression of their ratios in DIS experiments. A mild enhancement of the near-side correlation of two high transverse momentum hadrons with increasing centrality is found in heavy-ion collisions due to trigger bias and the rise in parton energy loss with centrality. Successful comparisons between theory and experiment for multihadron observables in both confining and deconfined media offer comprehensive evidence for partonic energy loss as the mechanism of jet modification in dense matter.

  14. Strong correlation effects on the d-wave superconductor- spectral weight analysis by variational wave functions

    NASA Astrophysics Data System (ADS)

    Chou, Chung-Pin; Lee, T. K.; Ho, Chang-Ming

    2009-03-01

    We examine the strong correlation effects of the d-wave superconducting state by including the Gutzwiller projection for no electron double occupancy at each lattice site. The spectral weights (SW's) for adding and removing an electon on the projected superconducting state, the ground state of the 2-dimensional t-t'-t"-J model with moderate doped holes describing the high Tc cuprates, are studied numerically on finite lattices and compared with the observation made by low-temperature tunneling (particle asymmetry of tunneling conductance) and angle-resolved photoemission (SW transfer from the projected Fermi liquid tate) spectoscopies. The contast with the dwave case without projection is alo presented.

  15. Correlated Monte Carlo wave functions for the atoms He through Ne

    SciTech Connect

    Schmidt, K.E. ); Moskowitz, J.W. )

    1990-09-15

    We apply the variational Monte Carlo method to the atoms He through Ne. Our trial wave function is of the form introduced by Boys and Handy. We use the Monte Carlo method to calculate the first and second derivatives of an unreweighted variance and apply Newton's method to minimize this variance. We motivate the form of the correlation function using the local current conservation arguments of Feynman and Cohen. Using a self-consistent field wave function multiplied by a Boys and Handy correlation function, we recover a large fraction of the correlation energy of these atoms. We give the value of all variational parameters necessary to reproduce our wave functions. The method can be extended easily to other atoms and to molecules.

  16. Completeness of the Coulomb Wave Functions in Quantum Mechanics

    ERIC Educational Resources Information Center

    Mukunda, N.

    1978-01-01

    Gives an explicit and elementary proof that the radial energy eigenfunctions for the hydrogen atom in quantum mechanics, bound and scattering states included, form a complete set. The proof uses some properties of the confluent hypergeometric functions and the Cauchy residue theorem from analytic function theory. (Author/GA)

  17. Mathieu function solutions for photoacoustic waves in sinusoidal one-dimensional structures.

    PubMed

    Wu, Binbin; Diebold, Gerald J

    2012-07-01

    The photoacoustic effect for a one-dimensional structure, the sound speed of which varies sinusoidally in space, is shown to be governed by an inhomogeneous Mathieu equation with the forcing term dependent on the spatial and temporal properties of the exciting optical radiation. New orthogonality relations, traveling wave Mathieu functions, and solutions to the inhomogeneous Mathieu equation are found, which are used to determine the character of photoacoustic waves in infinite and finite length phononic structures. Floquet solutions to the Mathieu equation give the positions of the band gaps, the damping of the acoustic waves within the band gaps, and the dispersion relation for photoacoustic waves. The solutions to the Mathieu equation give the photoacoustic response of the structure, show the space equivalent of subharmonic generation and acoustic confinement when waves are excited within band gaps.

  18. Effect of single-particle splitting in the exact wave function of the isovectorial pairing Hamiltonian

    SciTech Connect

    Lerma H, S.

    2010-07-15

    The structure of the exact wave function of the isovectorial pairing Hamiltonian with nondegenerate single-particle levels is discussed. The way that the single-particle splittings break the quartet condensate solution found for N=Z nuclei in a single degenerate level is established. After a brief review of the exact solution, the structure of the wave function is analyzed and some particular cases are considered where a clear interpretation of the wave function emerges. An expression for the exact wave function in terms of the isospin triplet of pair creators is given. The ground-state wave function is analyzed as a function of pairing strength, for a system of four protons and four neutrons. For small and large values of the pairing strength a dominance of two-pair (quartets) scalar couplings is found, whereas for intermediate values enhancements of the nonscalar couplings are obtained. A correlation of these enhancements with the creation of Cooper-like pairs is observed.

  19. A spectral Phase-Amplitude method for propagating a wave function to large distances

    NASA Astrophysics Data System (ADS)

    Rawitscher, George

    2015-06-01

    The phase and amplitude (Ph-A) of a wave function vary slowly with distance, in contrast to the wave function that can be highly oscillatory. Hence the Ph-A representation of a wave function requires far fewer computational mesh points than the wave function itself. In 1930 Milne presented an equation for the phase and the amplitude functions (which is different from the one developed by Calogero), and in 1962 Seaton and Peach solved these equations iteratively. The objective of the present study is to implement Seaton and Peach's iteration procedure with a spectral Chebyshev expansion method, and at the same time present a non-iterative analytic solution to an approximate version of the iterative equations. The iterations converge rapidly for the case of attractive potentials. Two numerical examples are given: (1) for a potential that decreases with distance as 1 /r3, and (2) a Coulomb potential ∝ 1 / r. In both cases the whole radial range of [0-2000] requires only between 25 and 100 mesh points and the corresponding accuracy is between 10-3 and 10-6. The 0th iteration (which is the WKB approximation) gives an accuracy of 10-2. This spectral method permits one to calculate a wave function out to large distances reliably and economically.

  20. Yields of Soviet underground nuclear explosions from seismic surface waves: Compliance with the Threshold Test Ban Treaty.

    PubMed

    Sykes, L R; Cifuentes, I L

    1984-03-01

    Magnitudes of the larger Soviet underground nuclear weapons tests from the start of the Threshold Test Ban Treaty in 1976 through 1982 are determined for short- and long-period seismic waves. Yields are calculated from the surface wave magnitude for those explosions at the eastern Kazakh test site that triggered a small-to-negligible component of tectonic stress and are used to calibrate body wave magnitude-yield relationship that can be used to determine the sizes of other explosions at that test site. The results confirm that a large bias, related to differential attenuation of P waves, exists between Nevada and Central Asia. The yields of the seven largest Soviet explosions are nearly identical and are close to 150 kilotons, the limit set by the Threshold Treaty.

  1. Extracting a shape function for a signal with intra-wave frequency modulation.

    PubMed

    Hou, Thomas Y; Shi, Zuoqiang

    2016-04-13

    In this paper, we develop an effective and robust adaptive time-frequency analysis method for signals with intra-wave frequency modulation. To handle this kind of signals effectively, we generalize our data-driven time-frequency analysis by using a shape function to describe the intra-wave frequency modulation. The idea of using a shape function in time-frequency analysis was first proposed by Wu (Wu 2013 Appl. Comput. Harmon. Anal. 35, 181-199. (doi:10.1016/j.acha.2012.08.008)). A shape function could be any smooth 2π-periodic function. Based on this model, we propose to solve an optimization problem to extract the shape function. By exploring the fact that the shape function is a periodic function with respect to its phase function, we can identify certain low-rank structure of the signal. This low-rank structure enables us to extract the shape function from the signal. Once the shape function is obtained, the instantaneous frequency with intra-wave modulation can be recovered from the shape function. We demonstrate the robustness and efficiency of our method by applying it to several synthetic and real signals. One important observation is that this approach is very stable to noise perturbation. By using the shape function approach, we can capture the intra-wave frequency modulation very well even for noise-polluted signals. In comparison, existing methods such as empirical mode decomposition/ensemble empirical mode decomposition seem to have difficulty in capturing the intra-wave modulation when the signal is polluted by noise.

  2. Basis of symmetric polynomials for many-boson light-front wave functions.

    PubMed

    Chabysheva, Sophia S; Hiller, John R

    2014-12-01

    We provide an algorithm for the construction of orthonormal multivariate polynomials that are symmetric with respect to the interchange of any two coordinates on the unit hypercube and are constrained to the hyperplane where the sum of the coordinates is one. These polynomials form a basis for the expansion of bosonic light-front momentum-space wave functions, as functions of longitudinal momentum, where momentum conservation guarantees that the fractions are on the interval [0,1] and sum to one. This generalizes earlier work on three-boson wave functions to wave functions for arbitrarily many identical bosons. A simple application in two-dimensional ϕ(4) theory illustrates the use of these polynomials.

  3. Manipulation of terahertz waves by work function engineering in metal-graphite structures

    NASA Astrophysics Data System (ADS)

    Irfan, Muhammad; Lee, Soo Kyung; Yim, Jong-Hyuk; Lee, Yong Tak; Jho, Young-Dahl

    2016-04-01

    We manipulate the transient terahertz (THz) waves emitted from metal-graphite interfaces, where potential barriers were formed because of work function differences. To flip the phase of the THz waves, two distinct groups of metals were evaporated on n-type doped highly oriented pyrolytic graphite (HOPG): group A, which consisted of Pt, Au, and Ag with work functions larger than that of HOPG and group B, which consisted of Al and Ti with work functions smaller than that of HOPG. The phase of the transient THz lineshapes from group A was opposite to that of group B under infrared laser excitation, which is indicative of opposite band bending and concomitant interfacial doping for ambipolar transport at the metal-graphite junctions. The amplitude of the THz waves could also be manipulated by the work function differences and further quantified based on modified minority carrier mobilities at the depletion regions.

  4. Wave functions for quantum black hole formation in scalar field collapse

    NASA Astrophysics Data System (ADS)

    Bak, Dongsu; Kim, Sang Pyo; Kim, Sung Ku; Soh, Kwang-Sup; Yee, Jae Hyung

    2000-02-01

    We study quantum mechanically self-similar black hole formation by a collapsing scalar field and find the wave functions that give the correct semiclassical limit. In contrast with classical theory, the wave functions for black hole formation even in the supercritical case have not only incoming flux but also outgoing flux. From this result we compute the rate for black hole formation. In the subcritical case our result agrees with the semiclassical tunneling rate. Furthermore, we show how to recover the classical evolution of black hole formation from the wave function by defining the Hamilton-Jacobi characteristic function as W=ħ Im ln ψ. We find that the quantum-corrected apparent horizon deviates from the classical value only slightly without any qualitative change even in the critical case.

  5. Covariant spectator theory of np scattering: Effective range expansions and relativistic deuteron wave functions

    SciTech Connect

    Gross, Franz; Stadler, Alfred

    2010-09-15

    We present the effective range expansions for the {sup 1}S{sub 0} and {sup 3}S{sub 1} scattering phase shifts, and the relativistic deuteron wave functions that accompany our recent high precision fits (with {chi}{sup 2}/N{sub data{approx_equal}}1) to the 2007 world np data below 350 MeV. The wave functions are expanded in a series of analytical functions (with the correct asymptotic behavior at both large and small arguments) that can be Fourier-transformed from momentum to coordinate space and are convenient to use in any application. A fortran subroutine to compute these wave functions can be obtained from the authors.

  6. Power and frequency measurements from a uniform backward wave oscillator as a function of length

    SciTech Connect

    Moreland, L.D.; Roitman, A.M.; Schamiloglu, E.; Pegel, I.V.; Lemke, R.W.

    1994-12-31

    The authors describe results from an experiment where the number of ripple periods in the slow wave structure of a backward wave oscillator (BWO) is increased. Both microwave power and frequency measurements are made for each shot. For a given cathode voltage and beam current, the microwave peak power and frequency are plotted as a function of BWO length. In previous investigations, the observation of two power maxima as a function of length was explained by the interaction of the electron beam with the forward traveling wave and reflections at the transition from the slow wave structure into the output waveguide. However, recent numerical calculations using the phase dynamics of electron beam and electromagnetic modes suggest that the power maxima are due to the phase relationship between the electron beam density wave and the backward wave. Experiments were performed on the Sinus-6, a relativistic electron beam accelerator. By adjusting the pressure in the Sinus-6 spark gap switch, cathode voltages between 400 kV to 650 kV can be obtained. The experiment was repeated for different sets of beam parameters. In all cases, the magnetic field used for beam transport was longer than the length of the slow wave structure. The experimental results are compared with phase model calculations and PIC code simulations using KARAT and TWOQUICK.

  7. Initial survey of the wave distribution functions for plasmaspheric hiss observed by ISEE 1

    SciTech Connect

    Storey, L.R.O. ); Lefeuvre, F.; Parrot, M.; Cairo, L. ); Anderson, R.R. )

    1991-11-01

    Multicomponent ELF/VLF wave data from the ISEE 1 satellite have been analyzed with the aim of identifying the generation mechanism of plasmaspheric hiss, and especially of determining whether it involves wave propagation of cyclic trajectories. The data were taken from four passes of the satellite, of which two were close to the geomagnetic equatorial plane and two were farther from it; all four occurred during magnetically quiet periods. The principal method of analysis was calculation of the wave distribution functions. The waves appear to have been generated over a wide range of altitudes within the plasmasphere, and most, though not all, of them were propagating obliquely with respect to the Earth's magnetic field. On one of the passes near the equator, some wave energy was observed at small wave normal angles, and these waves may have been propagating on cyclic trajectories. Even here, however, obliquely propagating waves were predominant, a finding that is difficult to reconcile with the classical quasi-linear generation mechanism or its variants. The conclusion is that another mechanism, probably nonlinear, must have been generating most of the hiss observed on these four passes.

  8. Breather turbulence versus soliton turbulence: Rogue waves, probability density functions, and spectral features.

    PubMed

    Akhmediev, N; Soto-Crespo, J M; Devine, N

    2016-08-01

    Turbulence in integrable systems exhibits a noticeable scientific advantage: it can be expressed in terms of the nonlinear modes of these systems. Whether the majority of the excitations in the system are breathers or solitons defines the properties of the turbulent state. In the two extreme cases we can call such states "breather turbulence" or "soliton turbulence." The number of rogue waves, the probability density functions of the chaotic wave fields, and their physical spectra are all specific for each of these two situations. Understanding these extreme cases also helps in studies of mixed turbulent states when the wave field contains both solitons and breathers, thus revealing intermediate characteristics. PMID:27627303

  9. Breather turbulence versus soliton turbulence: Rogue waves, probability density functions, and spectral features

    NASA Astrophysics Data System (ADS)

    Akhmediev, N.; Soto-Crespo, J. M.; Devine, N.

    2016-08-01

    Turbulence in integrable systems exhibits a noticeable scientific advantage: it can be expressed in terms of the nonlinear modes of these systems. Whether the majority of the excitations in the system are breathers or solitons defines the properties of the turbulent state. In the two extreme cases we can call such states "breather turbulence" or "soliton turbulence." The number of rogue waves, the probability density functions of the chaotic wave fields, and their physical spectra are all specific for each of these two situations. Understanding these extreme cases also helps in studies of mixed turbulent states when the wave field contains both solitons and breathers, thus revealing intermediate characteristics.

  10. Large multiconfiguration self-consistent-field wave functions for the ozone molecule

    SciTech Connect

    Laidig, William D.; Schaefer, III, Henry F.

    1981-03-15

    The electronic structure of the ozone molecule is of particular interest in light of Goddard’s characterization of the ground state as a biradical. We determine rigorously optimized multiconfiguration self-consistent-field (MCSCF) wave functions of varying size for ozone via newly developed techniques utilizing the unitary group approach. The largest of these a b i n i t i o MCSCF wave functions includes 13413 configurations, i.e., all singly- and doubly excited configurations relative to the two reference configurations required for the biradical description of ozone. The convergence of the MCSCF procedures is discussed, as well as the structure of the MCSCF wave functions, and the effectiveness of different orbital transformations. There is a significant energy difference (0.034 hartrees) between the MCSCF wave functions involving one and two reference configurations. This gives emphasis to the fact that orbital optimization alone cannot compensate for the exclusion from the wave function of important classes of configurations. Lastly, a simple test for the determination of the fraction biradical character of systems such as ozone suggests 23% biradical character for 03 at its equilibrium geometry.

  11. Coulomb explosion imaging of bound and continuum nuclear wave packets in strong-field ionization of iodomethane

    NASA Astrophysics Data System (ADS)

    Malakar, Y.; Zohrabi, M.; Pearson, W. L.; Kaderiya, B.; Kanaka Raju, P.; Ben-Itzhak, I.; Rolles, D.; Rudenko, A.

    2015-05-01

    As a prototypical polyatomic system with well-studied photodissociation dynamics, the iodomethane molecule (CH3I) has recently been used to test novel quantum control schemes, and to investigate charge transfer processes after X-ray absorption. These applications require a detailed understanding of CH3I behavior in intense laser pulses. Here we present the results of a time-resolved Coulomb explosion imaging experiment that maps both, bound and dissociating nuclear wave packets in singly and doubly charged ionic states of CH3I. Measuring energies and emission angles of coincident ionic fragments as a function of time delay between two 25 fs, 800 nm pump and probe pulses, we track the propagation of different dissociation pathways, vibrational motion of the molecule and its impulsive alignment. In particular, a periodic (~ 130 fs) feature in the delay-dependent ion energy spectra can be assigned to C-I stretching vibrations in the two lowest cationic states, and exhibits intriguing correlation with the oscillations observed in the laser pump/X-ray probe experiment on charge transfer at LCLS. This work was supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Science, Office of Science, U.S. Department of Energy.

  12. Nuclear matrix and structural and functional compartmentalization of the eucaryotic cell nucleus.

    PubMed

    Razin, S V; Borunova, V V; Iarovaia, O V; Vassetzky, Y S

    2014-07-01

    Becoming popular at the end of the 20th century, the concept of the nuclear matrix implies the existence of a nuclear skeleton that organizes functional elements in the cell nucleus. This review presents a critical analysis of the results obtained in the study of nuclear matrix in the light of current views on the organization of the cell nucleus. Numerous studies of nuclear matrix have failed to provide evidence of the existence of such a structure. Moreover, the existence of a filamentous structure that supports the nuclear compartmentalization appears to be unnecessary, since this function is performed by the folded genome itself.

  13. Quantifying local exciton, charge resonance, and multiexciton character in correlated wave functions of multichromophoric systems

    NASA Astrophysics Data System (ADS)

    Casanova, David; Krylov, Anna I.

    2016-01-01

    A new method for quantifying the contributions of local excitation, charge resonance, and multiexciton configurations in correlated wave functions of multichromophoric systems is presented. The approach relies on fragment-localized orbitals and employs spin correlators. Its utility is illustrated by calculations on model clusters of hydrogen, ethylene, and tetracene molecules using adiabatic restricted-active-space configuration interaction wave functions. In addition to the wave function analysis, this approach provides a basis for a simple state-specific energy correction accounting for insufficient description of electron correlation. The decomposition scheme also allows one to compute energies of the diabatic states of the local excitonic, charge-resonance, and multi-excitonic character. The new method provides insight into electronic structure of multichromophoric systems and delivers valuable reference data for validating excitonic models.

  14. U (1 )×U (1 ) symmetry-protected topological order in Gutzwiller wave functions

    NASA Astrophysics Data System (ADS)

    Liu, Zheng-Xin; Mei, Jia-Wei; Ye, Peng; Wen, Xiao-Gang

    2014-12-01

    Gutzwiller projection is a way to construct many-body wave functions that could carry topological order or symmetry-protected topological (SPT) order. However, an important issue is to determine whether or not a given Gutzwiller-projected wave function (GWF) carries a nontrivial SPT order, and which SPT order is carried by the wave function. In this paper, we numerically study the SPT order in a spin S =1 GWF on the kagome lattice. Using the standard Monte Carlo method, we directly confirm that the GWF has (1) gapped bulk with short-range correlations, (2) a trivial topological order via a nondegenerate ground state, and zero topological entanglement entropy, (3) a nontrivial U (1 )×U (1 ) SPT order via the Hall conductances of the protecting U (1 )×U (1 ) symmetry, and (4) a symmetry-protected gapless boundary. This represents numerical evidence of continuous symmetry-protected topological order in two-dimensional bosonic lattice systems.

  15. Coupled-channel effects for the bottomonium with realistic wave functions

    NASA Astrophysics Data System (ADS)

    Lu, Yu; Anwar, Muhammad Naeem; Zou, Bing-Song

    2016-08-01

    With Gaussian expansion method (GEM), realistic wave functions are used to calculate coupled-channel effects for the bottomonium under the framework of 3P0 model. The simplicity and accuracy of GEM are explained. We calculate the mass shifts, probabilities of the B meson continuum, S -D mixing angles, strong and dielectric decay widths. Our calculation shows that both S -D mixing and the B meson continuum can contribute to the suppression of the vector meson's dielectric decay width. We suggest more precise measurements on the radiative decays of ϒ (10580 ) and ϒ (11020 ) to distinguish these two effects. The above quantities are also calculated with simple harmonic oscillator (SHO) wave function approximation for comparison. The deviation between GEM and SHO indicates that it is essential to treat the wave functions accurately for near threshold states.

  16. Electronic structure and correlated wave functions of a few electron quantum dots

    SciTech Connect

    Sako, Tokuei; Ishida, Hiroshi; Fujikawa, Kazuo

    2015-01-22

    The energy spectra and wave functions of a few electrons confined by a quasi-one-dimensional harmonic and anharmonic potentials have been studied by using a full configuration interaction method employing a Cartesian anisotropic Gaussian basis set. The energy spectra are classified into three regimes of the strength of confinement, namely, large, medium and small. The polyad quantum number defined by a total number of nodes in the wave functions is shown to be a key ingredient to interpret the energy spectra for the whole range of the confinement strength. The nodal pattern of the wave functions exhibits normal modes for the harmonic confining potential, indicating collective motions of electrons. These normal modes are shown to undergo a transition to local modes for an anharmonic potential with large anharmonicity.

  17. Symmetric multivariate polynomials as a basis for three-boson light-front wave functions.

    PubMed

    Chabysheva, Sophia S; Elliott, Blair; Hiller, John R

    2013-12-01

    We develop a polynomial basis to be used in numerical calculations of light-front Fock-space wave functions. Such wave functions typically depend on longitudinal momentum fractions that sum to unity. For three particles, this constraint limits the two remaining independent momentum fractions to a triangle, for which the three momentum fractions act as barycentric coordinates. For three identical bosons, the wave function must be symmetric with respect to all three momentum fractions. Therefore, as a basis, we construct polynomials in two variables on a triangle that are symmetric with respect to the interchange of any two barycentric coordinates. We find that, through the fifth order, the polynomial is unique at each order, and, in general, these polynomials can be constructed from products of powers of the second- and third-order polynomials. The use of such a basis is illustrated in a calculation of a light-front wave function in two-dimensional ϕ(4) theory; the polynomial basis performs much better than the plane-wave basis used in discrete light-cone quantization.

  18. Symmetric multivariate polynomials as a basis for three-boson light-front wave functions.

    PubMed

    Chabysheva, Sophia S; Elliott, Blair; Hiller, John R

    2013-12-01

    We develop a polynomial basis to be used in numerical calculations of light-front Fock-space wave functions. Such wave functions typically depend on longitudinal momentum fractions that sum to unity. For three particles, this constraint limits the two remaining independent momentum fractions to a triangle, for which the three momentum fractions act as barycentric coordinates. For three identical bosons, the wave function must be symmetric with respect to all three momentum fractions. Therefore, as a basis, we construct polynomials in two variables on a triangle that are symmetric with respect to the interchange of any two barycentric coordinates. We find that, through the fifth order, the polynomial is unique at each order, and, in general, these polynomials can be constructed from products of powers of the second- and third-order polynomials. The use of such a basis is illustrated in a calculation of a light-front wave function in two-dimensional ϕ(4) theory; the polynomial basis performs much better than the plane-wave basis used in discrete light-cone quantization. PMID:24483584

  19. Nuclear receptor-induced transcription is driven by spatially and timely restricted waves of ROS

    PubMed Central

    Perillo, Bruno; Di Santi, Annalisa; Cernera, Gustavo; Ombra, Maria Neve; Castoria, Gabriella; Migliaccio, Antimo

    2014-01-01

    Gene expression is governed by chromatin mainly through posttranslational modifications at the N-terminal tails of nucleosomal histone proteins. According to the histone code theory, peculiar sets of such modifications (marks) give rise to reproducible final effects on transcription and, very recently, a further level of complexity has been highlighted in binary switches between specific marks at adjacent residues. In particular, disappearance of dimethyl-lysine 9 in histone H3 is faced by phosphorylation of the following serine during activation of gene expression. Demethylation of lysine 9 by the lysine-specific demethylase 1 (LSD1) is a pre-requisite for addition of the phosphoryl mark to serine 10 and an essential step in the transcriptional control by estrogens. It generates a local burst of oxygen reactive species (ROS) that induce oxidation of nearby nucleotides and recruitment of repair enzymes with a consequent formation of single or double stranded nicks on DNA that modify chromatin flexibility in order to allow correct assembly of the transcriptional machinery.   We describe here the molecular mechanism by which members of the family of nuclear receptors prevent the potential damage to DNA during transcription of target genes elicited by the use of ROS to shape chromatin. The mechanism is based on the presence of phosphorylated serine 10 in histone H3 to prevent unbalanced DNA oxidation waves. We also discuss the opportunities raised by the use of voluntary derangement of this servo system to induce selective death in hormone-responsive transformed cells. PMID:25482200

  20. Automatic determination of important mode-mode correlations in many-mode vibrational wave functions

    NASA Astrophysics Data System (ADS)

    König, Carolin; Christiansen, Ove

    2015-04-01

    We introduce new automatic procedures for parameterizing vibrational coupled cluster (VCC) and vibrational configuration interaction wave functions. Importance measures for individual mode combinations in the wave function are derived based on upper bounds to Hamiltonian matrix elements and/or the size of perturbative corrections derived in the framework of VCC. With a threshold, this enables an automatic, system-adapted way of choosing which mode-mode correlations are explicitly parameterized in the many-mode wave function. The effect of different importance measures and thresholds is investigated for zero-point energies and infrared spectra for formaldehyde and furan. Furthermore, the direct link between important mode-mode correlations and coordinates is illustrated employing water clusters as examples: Using optimized coordinates, a larger number of mode combinations can be neglected in the correlated many-mode vibrational wave function than with normal coordinates for the same accuracy. Moreover, the fraction of important mode-mode correlations compared to the total number of correlations decreases with system size. This underlines the potential gain in efficiency when using optimized coordinates in combination with a flexible scheme for choosing the mode-mode correlations included in the parameterization of the correlated many-mode vibrational wave function. All in all, it is found that the introduced schemes for parameterizing correlated many-mode vibrational wave functions lead to at least as systematic and accurate calculations as those using more standard and straightforward excitation level definitions. This new way of defining approximate calculations offers potential for future calculations on larger systems.

  1. Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo.

    PubMed

    Zulfikri, Habiburrahman; Amovilli, Claudio; Filippi, Claudia

    2016-03-01

    We introduce a novel class of local multideterminant Jastrow-Slater wave functions for the efficient and accurate treatment of excited states in quantum Monte Carlo. The wave function is expanded as a linear combination of excitations built from multiple sets of localized orbitals that correspond to the bonding patterns of the different Lewis resonance structures of the molecule. We capitalize on the concept of orbital domains of local coupled-cluster methods, which is here applied to the active space to select the orbitals to correlate and construct the important transitions. The excitations are further grouped into classes, which are ordered in importance and can be systematically included in the Jastrow-Slater wave function to ensure a balanced description of all states of interest. We assess the performance of the proposed wave function in the calculation of vertical excitation energies and excited-state geometry optimization of retinal models whose π → π* state has a strong intramolecular charge-transfer character. We find that our multiresonance wave functions recover the reference values of the total energies of the ground and excited states with only a small number of excitations and that the same expansion can be flexibly used at very different geometries. Furthermore, significant computational saving can also be gained in the orbital optimization step by selectively mixing occupied and virtual orbitals based on spatial considerations without loss of accuracy on the excitation energy. Our multiresonance wave functions are therefore compact, accurate, and very promising for the calculation of multiple excited states of different character in large molecules.

  2. State-of-the-art of beyond mean field theories with nuclear density functionals

    NASA Astrophysics Data System (ADS)

    Egido, J. Luis

    2016-07-01

    We present an overview of different beyond mean field theories (BMFTs) based on the generator coordinate method (GCM) and the recovery of symmetries used in many body nuclear physics with effective forces. In a first step a short reminder of the Hartree–Fock–Bogoliubov (HFB) theory is given. A general discussion of the shortcomings of any mean field approximation (MFA), stemming either from the lack of the elementary symmetries (like particle number and angular momentum) or the absence of fluctuations around the mean values, is presented. The recovery of the symmetries spontaneously broken in the HFB approach, in particular the angular momentum, is necessary, among others, to describe excited states and transitions. Particle number projection is also needed to guarantee the right number of protons and neutrons. Furthermore a projection before the variation prevents the pairing collapse in the weak pairing regime. A whole chapter is devoted to illustrate with examples the convenience of recovering symmetries and the differences between the projection before and after the variation. The lack of fluctuations around the average values of the MFA is a big shortcoming inherent to this approach. To build in correlations in BMFT one selects the relevant degrees of freedom of the atomic nucleus. In the low energy part of the spectrum these are the quadrupole, octupole and the pairing vibrations as well as the single particle degrees of freedom. In the GCM the operators representing these degrees of freedom are used as coordinates to generate, by the constrained (projected) HFB theory, a collective subspace. The highly correlated GCM wave function is finally written as a linear combination of a projected basis of this space. The variation of the coefficients of the linear combination leads to the Hill–Wheeler equation. The flexibility of the GCM Ansatz allows to describe a whole palette of physical situations by conveniently choosing the generator coordinates. We

  3. State-of-the-art of beyond mean field theories with nuclear density functionals

    NASA Astrophysics Data System (ADS)

    Egido, J. Luis

    2016-07-01

    We present an overview of different beyond mean field theories (BMFTs) based on the generator coordinate method (GCM) and the recovery of symmetries used in many body nuclear physics with effective forces. In a first step a short reminder of the Hartree-Fock-Bogoliubov (HFB) theory is given. A general discussion of the shortcomings of any mean field approximation (MFA), stemming either from the lack of the elementary symmetries (like particle number and angular momentum) or the absence of fluctuations around the mean values, is presented. The recovery of the symmetries spontaneously broken in the HFB approach, in particular the angular momentum, is necessary, among others, to describe excited states and transitions. Particle number projection is also needed to guarantee the right number of protons and neutrons. Furthermore a projection before the variation prevents the pairing collapse in the weak pairing regime. A whole chapter is devoted to illustrate with examples the convenience of recovering symmetries and the differences between the projection before and after the variation. The lack of fluctuations around the average values of the MFA is a big shortcoming inherent to this approach. To build in correlations in BMFT one selects the relevant degrees of freedom of the atomic nucleus. In the low energy part of the spectrum these are the quadrupole, octupole and the pairing vibrations as well as the single particle degrees of freedom. In the GCM the operators representing these degrees of freedom are used as coordinates to generate, by the constrained (projected) HFB theory, a collective subspace. The highly correlated GCM wave function is finally written as a linear combination of a projected basis of this space. The variation of the coefficients of the linear combination leads to the Hill-Wheeler equation. The flexibility of the GCM Ansatz allows to describe a whole palette of physical situations by conveniently choosing the generator coordinates. We discuss the

  4. Orthogonality of embedded wave functions for different states in frozen-density embedding theory.

    PubMed

    Zech, Alexander; Aquilante, Francesco; Wesolowski, Tomasz A

    2015-10-28

    Other than lowest-energy stationary embedded wave functions obtained in Frozen-Density Embedding Theory (FDET) [T. A. Wesolowski, Phys. Rev. A 77, 012504 (2008)] can be associated with electronic excited states but they can be mutually non-orthogonal. Although this does not violate any physical principles--embedded wave functions are only auxiliary objects used to obtain stationary densities--working with orthogonal functions has many practical advantages. In the present work, we show numerically that excitation energies obtained using conventional FDET calculations (allowing for non-orthogonality) can be obtained using embedded wave functions which are strictly orthogonal. The used method preserves the mathematical structure of FDET and self-consistency between energy, embedded wave function, and the embedding potential (they are connected through the Euler-Lagrange equations). The orthogonality is built-in through the linearization in the embedded density of the relevant components of the total energy functional. Moreover, we show formally that the differences between the expectation values of the embedded Hamiltonian are equal to the excitation energies, which is the exact result within linearized FDET. Linearized FDET is shown to be a robust approximation for a large class of reference densities. PMID:26520497

  5. Orthogonality of embedded wave functions for different states in frozen-density embedding theory

    SciTech Connect

    Zech, Alexander; Wesolowski, Tomasz A.; Aquilante, Francesco

    2015-10-28

    Other than lowest-energy stationary embedded wave functions obtained in Frozen-Density Embedding Theory (FDET) [T. A. Wesolowski, Phys. Rev. A 77, 012504 (2008)] can be associated with electronic excited states but they can be mutually non-orthogonal. Although this does not violate any physical principles — embedded wave functions are only auxiliary objects used to obtain stationary densities — working with orthogonal functions has many practical advantages. In the present work, we show numerically that excitation energies obtained using conventional FDET calculations (allowing for non-orthogonality) can be obtained using embedded wave functions which are strictly orthogonal. The used method preserves the mathematical structure of FDET and self-consistency between energy, embedded wave function, and the embedding potential (they are connected through the Euler-Lagrange equations). The orthogonality is built-in through the linearization in the embedded density of the relevant components of the total energy functional. Moreover, we show formally that the differences between the expectation values of the embedded Hamiltonian are equal to the excitation energies, which is the exact result within linearized FDET. Linearized FDET is shown to be a robust approximation for a large class of reference densities.

  6. FANCL ubiquitinates β-catenin and enhances its nuclear function

    PubMed Central

    Rotelli, Michael D.; Petersen, Curtis L.; Kaech, Stefanie; Nelson, Whitney D.; Yates, Jane E.; Hanlon Newell, Amy E.; Olson, Susan B.; Druker, Brian J.; Bagby, Grover C.

    2012-01-01

    Bone marrow failure is a nearly universal complication of Fanconi anemia. The proteins encoded by FANC genes are involved in DNA damage responses through the formation of a multisubunit nuclear complex that facilitates the E3 ubiquitin ligase activity of FANCL. However, it is not known whether loss of E3 ubiquitin ligase activity accounts for the hematopoietic stem cell defects characteristic of Fanconi anemia. Here we provide evidence that FANCL increases the activity and expression of β-catenin, a key pluripotency factor in hematopoietic stem cells. We show that FANCL ubiquitinates β-catenin with atypical ubiquitin chain extension known to have nonproteolytic functions. Specifically, β-catenin modified with lysine-11 ubiquitin chain extension efficiently activates a lymphocyte enhancer-binding factor-T cell factor reporter. We also show that FANCL-deficient cells display diminished capacity to activate β-catenin leading to reduced transcription of Wnt-responsive targets c-Myc and Cyclin D1. Suppression of FANCL expression in normal human CD34+ stem and progenitor cells results in fewer β-catenin active cells and inhibits expansion of multilineage progenitors. Together, these results suggest that diminished Wnt/β-catenin signaling may be an underlying molecular defect in FANCL-deficient hematopoietic stem cells leading to their accelerated loss. PMID:22653977

  7. Clustering properties and model wave functions for non-Abelian fractional quantum Hall quasielectrons.

    PubMed

    Bernevig, B Andrei; Haldane, F D M

    2009-02-13

    We present model wave functions for quasielectron (as opposed to quasihole) excitations of the unitary Z_{k} parafermion sequence (Laughlin, Moore-Read, or Read-Rezayi) of fractional quantum Hall states. We uniquely define these states through two generalized clustering conditions: they vanish when either a cluster of k+2 electrons is put together or when two clusters of k+1 electrons are formed at different positions. For Abelian fractional quantum Hall states (k=1), our construction reproduces the Jain quasielectron wave function and elucidates the difference between the Jain and Laughlin quasielectrons. PMID:19257618

  8. Clustering Properties and Model Wave Functions for Non-Abelian Fractional Quantum Hall Quasielectrons

    NASA Astrophysics Data System (ADS)

    Bernevig, B. Andrei; Haldane, F. D. M.

    2009-02-01

    We present model wave functions for quasielectron (as opposed to quasihole) excitations of the unitary Zk parafermion sequence (Laughlin, Moore-Read, or Read-Rezayi) of fractional quantum Hall states. We uniquely define these states through two generalized clustering conditions: they vanish when either a cluster of k+2 electrons is put together or when two clusters of k+1 electrons are formed at different positions. For Abelian fractional quantum Hall states (k=1), our construction reproduces the Jain quasielectron wave function and elucidates the difference between the Jain and Laughlin quasielectrons.

  9. Library of sophisticated functions for analysis of nuclear spectra

    NASA Astrophysics Data System (ADS)

    Morháč, Miroslav; Matoušek, Vladislav

    2009-10-01

    In the paper we present compact library for analysis of nuclear spectra. The library consists of sophisticated functions for background elimination, smoothing, peak searching, deconvolution, and peak fitting. The functions can process one- and two-dimensional spectra. The software described in the paper comprises a number of conventional as well as newly developed methods needed to analyze experimental data. Program summaryProgram title: SpecAnalysLib 1.1 Catalogue identifier: AEDZ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDZ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 42 154 No. of bytes in distributed program, including test data, etc.: 2 379 437 Distribution format: tar.gz Programming language: C++ Computer: Pentium 3 PC 2.4 GHz or higher, Borland C++ Builder v. 6. A precompiled Windows version is included in the distribution package Operating system: Windows 32 bit versions RAM: 10 MB Word size: 32 bits Classification: 17.6 Nature of problem: The demand for advanced highly effective experimental data analysis functions is enormous. The library package represents one approach to give the physicists the possibility to use the advanced routines simply by calling them from their own programs. SpecAnalysLib is a collection of functions for analysis of one- and two-parameter γ-ray spectra, but they can be used for other types of data as well. The library consists of sophisticated functions for background elimination, smoothing, peak searching, deconvolution, and peak fitting. Solution method: The algorithms of background estimation are based on Sensitive Non-linear Iterative Peak (SNIP) clipping algorithm. The smoothing algorithms are based on the convolution of the original data with several types of filters and algorithms based on discrete

  10. Nuclear-wave-packet dynamics mapped out by two-center interference in the HeH2+ molecule

    NASA Astrophysics Data System (ADS)

    Schüler, M.; Pavlyukh, Y.; Berakdar, J.

    2014-06-01

    Photoemission from diatomic molecules closely resembles the Young-type double-slit experiment where each of the two atomic sites represents a coherent emission source. When the photoelectron wavelength becomes commensurate with the effective interatomic distance, the resulting spatial interference gives rise to oscillations in the photoionization total and differential cross sections. This phenomenon provides detailed information on the molecular geometry, a fact that can be utilized for probing the nuclear dynamics triggered by the interaction with a laser field. We demonstrate how this coherent wave-packet evolution can be traced by observing the photoelectron angular distribution. Based on ab initio scattering calculations we perform a proof-of-principle reconstruction of the nuclear-wave-packet evolution in the HeH2+ molecule.

  11. Probability Density Function for Waves Propagating in a Straight PEC Rough Wall Tunnel

    SciTech Connect

    Pao, H

    2004-11-08

    The probability density function for wave propagating in a straight perfect electrical conductor (PEC) rough wall tunnel is deduced from the mathematical models of the random electromagnetic fields. The field propagating in caves or tunnels is a complex-valued Gaussian random processing by the Central Limit Theorem. The probability density function for single modal field amplitude in such structure is Ricean. Since both expected value and standard deviation of this field depend only on radial position, the probability density function, which gives what is the power distribution, is a radially dependent function. The radio channel places fundamental limitations on the performance of wireless communication systems in tunnels and caves. The transmission path between the transmitter and receiver can vary from a simple direct line of sight to one that is severely obstructed by rough walls and corners. Unlike wired channels that are stationary and predictable, radio channels can be extremely random and difficult to analyze. In fact, modeling the radio channel has historically been one of the more challenging parts of any radio system design; this is often done using statistical methods. In this contribution, we present the most important statistic property, the field probability density function, of wave propagating in a straight PEC rough wall tunnel. This work only studies the simplest case--PEC boundary which is not the real world but the methods and conclusions developed herein are applicable to real world problems which the boundary is dielectric. The mechanisms behind electromagnetic wave propagation in caves or tunnels are diverse, but can generally be attributed to reflection, diffraction, and scattering. Because of the multiple reflections from rough walls, the electromagnetic waves travel along different paths of varying lengths. The interactions between these waves cause multipath fading at any location, and the strengths of the waves decrease as the distance

  12. Advanced multiconfiguration methods for complex atoms: I. Energies and wave functions

    NASA Astrophysics Data System (ADS)

    Froese Fischer, Charlotte; Godefroid, Michel; Brage, Tomas; Jönsson, Per; Gaigalas, Gediminas

    2016-09-01

    Multiconfiguration wave function expansions combined with configuration interaction methods are a method of choice for complex atoms where atomic state functions are expanded in a basis of configuration state functions. Combined with a variational method such as the multiconfiguration Hartree-Fock (MCHF) or multiconfiguration Dirac-Hartree-Fock (MCDHF), the associated set of radial functions can be optimized for the levels of interest. The present review updates the variational MCHF theory to include MCDHF, describes the multireference single and double process for generating expansions and the systematic procedure of a computational scheme for monitoring convergence. It focuses on the calculations of energies and wave functions from which other atomic properties can be predicted such as transition rates, hyperfine structures and isotope shifts, for example.

  13. Uniform approximation of wave functions with improved semiclassical transformation amplitudes and Gram-Schmidt orthogonalization

    SciTech Connect

    Davis, Edward D.

    2004-09-01

    Semiclassical transformation theory implies an integral representation for stationary-state wave functions {psi}{sub m}(q) in terms of angle-action variables ({theta},J). It is a particular solution of Schroedinger's time-independent equation when terms of order ({Dirac_h}/2{pi}){sup 2} and higher are omitted, but the preexponential factor A(q,{theta}) in the integrand of this integral representation does not possess the correct dependence on q. The origin of the problem is identified: the standard unitarity condition invoked in semiclassical transformation theory does not fix adequately in A(q,{theta}) a factor which is a function of the action J written in terms of q and {theta}. A prescription for an improved choice of this factor, based on successfully reproducing the leading behavior of wave functions in the vicinity of potential minima, is outlined. Exact evaluation of the modified integral representation via the residue theorem is possible. It yields wave functions which are not, in general, orthogonal. However, closed-form results obtained after Gram-Schmidt orthogonalization bear a striking resemblance to the exact analytical expressions for the stationary-state wave functions of the various potential models considered (namely, a Poeschl-Teller oscillator and the Morse oscillator)

  14. Toward a functional categorization of slow waves: taking into account past and future events.

    PubMed

    Rösler, F; Heil, M

    1991-05-01

    Ruchkin, Johnson, Mahaffey, and Sutton (1988) presented evidence for a frontal positive/posterior negative late slow wave (SW) which they found to be functionally related to conceptual load, i.e., the difficulty of mental calculation problems increased both the positive and negative parts of it. In the present study we replicated the paradigm of Ruchkin et al. with some modifications, and we also found that this late SW pattern is actually due to a superimposition of two slow potentials. Our results suggest that one potential (positive at frontopolar scalp) is related to the mental operation of division. However, the other potential (negative over posterior scalp) is not related to the computational task itself but to the expectation of stimuli that follow the task. In addition, we found that memorizing a digit seems to be associated with a positive slow wave over posterior scalp. Altogether, our data suggest that load imposed on working memory is associated with positive slow waves which show a task specific topography--mental division is associated with a pSW at FPZ, remembering with a pSW at PZ/OZ. On the other hand, the state of stimulus and task anticipation is associated with negative slow waves. The latter reach their amplitude maximum over posterior scalp, if visually presented information is anticipated. Our study demonstrates how functionally distinct slow waves can be disentangled by a systematic manipulation of events which either precede or follow the slow wave activity. Moreover, it shows that recording epochs must be of considerable length, if the functional significance of slow waves is the objective of research.

  15. Transverse isospin response function of asymmetric nuclear matter from a local isospin density functional

    NASA Astrophysics Data System (ADS)

    Lipparini, Enrico; Pederiva, Francesco

    2016-08-01

    The time dependent local isospin density approximation (TDLIDA) has been extended to the study of the transverse isospin response function in nuclear matter with an arbitrary neutron-proton asymmetry parameter ξ . The energy density functional has been chosen in order to fit existing accurate quantum Monte Carlo calculations with a density dependent potential. The evolution of the response with ξ in the Δ Tz=±1 channels is quite different. While the strength of the Δ Tz=+1 channel disappears rather quickly by increasing the asymmetry, the Δ Tz=-1 channel develops a stronger and stronger collective mode that in the regime typical of neutron star matter at β equilibrium almost completely exhausts the excitation spectrum of the system. The neutrino mean free paths obtained from the TDLIDA responses are strongly dependent on ξ and on the presence of collective modes, leading to a sizable difference with respect to the prediction of the Fermi gas model.

  16. Acoustical impedance defined by wave-function solutions of the reduced Webster equation.

    PubMed

    Forbes, Barbara J

    2005-07-01

    The electrical impedance was first defined by Heaviside in 1884, and the analogy of the acoustical impedance was made by Webster in 1919. However, it can be shown that Webster did not draw a full analogy with the electromagnetic potential, the potential energy per unit charge. This paper shows that the analogous "acoustical potential" the potential energy per unit displacement of fluid, corresponds to the wave function Psi of the reduced Webster equation, which is of Klein-Gordon form. The wave function is found to obey all of Dirichlet, Von Neumann, and mixed (Robins) boundary conditions, and the latter give rise to resonance phenomena that are not elucidated by Webster's analysis. It is shown that the exact Heaviside analogy yields a complete analytic account of the one-dimensional input impedance, that accounts for both plane- and dispersive-wave propagation both at the origin and throughout the duct.

  17. Electromagnetic wave emitting products and "Kikoh" potentiate human leukocyte functions.

    PubMed

    Niwa, Y; Iizawa, O; Ishimoto, K; Jiang, X; Kanoh, T

    1993-09-01

    Tourmaline (electric stone, a type of granite stone), common granite stone, ceramic disks, hot spring water and human palmar energy (called "Kikoh" in Japan and China), all which emit electromagnetic radiation in the far infrared region (wavelength 4-14 microns). These materials were thus examined for effects on human leukocyte activity and on lipid peroxidation of unsaturated fatty acids. It was revealed that these materials significantly increased intracellular calcium ion concentration, phagocytosis, and generation of reactive oxygen species in neutrophils, and the blastogenetic response of lymphocytes to mitogens. Chemotactic activity by neutrophils was also enhanced by exposure to tourmaline and the palm of "Kikohshi" i.e., a person who heals professionally by the laying on of hands. Despite the increase in reactive oxygen species generated by neutrophils, lipid peroxidation from unsaturated fatty acid was markedly inhibited by these four materials. The results suggest that materials emitting electromagnetic radiation in the far infrared range, which are widely used in Japan for cosmetic, therapeutic, and preservative purposes, appear capable of potentiating leukocyte functions without promoting oxidative injury. PMID:8406976

  18. Electromagnetic wave emitting products and "Kikoh" potentiate human leukocyte functions.

    PubMed

    Niwa, Y; Iizawa, O; Ishimoto, K; Jiang, X; Kanoh, T

    1993-09-01

    Tourmaline (electric stone, a type of granite stone), common granite stone, ceramic disks, hot spring water and human palmar energy (called "Kikoh" in Japan and China), all which emit electromagnetic radiation in the far infrared region (wavelength 4-14 microns). These materials were thus examined for effects on human leukocyte activity and on lipid peroxidation of unsaturated fatty acids. It was revealed that these materials significantly increased intracellular calcium ion concentration, phagocytosis, and generation of reactive oxygen species in neutrophils, and the blastogenetic response of lymphocytes to mitogens. Chemotactic activity by neutrophils was also enhanced by exposure to tourmaline and the palm of "Kikohshi" i.e., a person who heals professionally by the laying on of hands. Despite the increase in reactive oxygen species generated by neutrophils, lipid peroxidation from unsaturated fatty acid was markedly inhibited by these four materials. The results suggest that materials emitting electromagnetic radiation in the far infrared range, which are widely used in Japan for cosmetic, therapeutic, and preservative purposes, appear capable of potentiating leukocyte functions without promoting oxidative injury.

  19. Analysis and measurement of the modulation transfer function of harmonic shear wave induced phase encoding imaging.

    PubMed

    McAleavey, Stephen A

    2014-05-01

    Shear wave induced phase encoding (SWIPE) imaging generates ultrasound backscatter images of tissue-like elastic materials by using traveling shear waves to encode the lateral position of the scatters in the phase of the received echo. In contrast to conventional ultrasound B-scan imaging, SWIPE offers the potential advantages of image formation without beam focusing or steering from a single transducer element, lateral resolution independent of aperture size, and the potential to achieve relatively high lateral resolution with low frequency ultrasound. Here a Fourier series description of the phase modulated echo signal is developed, demonstrating that echo harmonics at multiples of the shear wave frequency reveal target k-space data at identical multiples of the shear wavenumber. Modulation transfer functions of SWIPE imaging systems are calculated for maximum shear wave acceleration and maximum shear constraints, and compared with a conventionally focused aperture. The relative signal-to-noise ratio of the SWIPE method versus a conventionally focused aperture is found through these calculations. Reconstructions of wire targets in a gelatin phantom using 1 and 3.5 MHz ultrasound and a cylindrical shear wave source are presented, generated from the fundamental and second harmonic of the shear wave modulation frequency, demonstrating weak dependence of lateral resolution with ultrasound frequency.

  20. The Use of the Information Wave Function in a Drift Dependent Option Price: A Simple Example

    SciTech Connect

    Haven, Emmanuel

    2009-03-10

    This paper briefly describes how a drift-dependent option price is obtained, following the work of Tan. We briefly argue how the information wave function concept, which has now been used in various financial settings, can be used in this type of option price.

  1. Observations of the directional distribution of the wind energy input function over swell waves

    NASA Astrophysics Data System (ADS)

    Shabani, Behnam; Babanin, Alex V.; Baldock, Tom E.

    2016-02-01

    Field measurements of wind stress over shallow water swell traveling in different directions relative to the wind are presented. The directional distribution of the measured stresses is used to confirm the previously proposed but unverified directional distribution of the wind energy input function. The observed wind energy input function is found to follow a much narrower distribution (β∝cos⁡3.6θ) than the Plant (1982) cosine distribution. The observation of negative stress angles at large wind-wave angles, however, indicates that the onset of negative wind shearing occurs at about θ≈ 50°, and supports the use of the Snyder et al. (1981) directional distribution. Taking into account the reverse momentum transfer from swell to the wind, Snyder's proposed parameterization is found to perform exceptionally well in explaining the observed narrow directional distribution of the wind energy input function, and predicting the wind drag coefficients. The empirical coefficient (ɛ) in Snyder's parameterization is hypothesised to be a function of the wave shape parameter, with ɛ value increasing as the wave shape changes between sinusoidal, sawtooth, and sharp-crested shoaling waves.

  2. Joint resummation for pion wave function and pion transition form factor

    NASA Astrophysics Data System (ADS)

    Li, Hsiang-nan; Shen, Yue-Long; Wang, Yu-Ming

    2014-01-01

    We construct an evolution equation for the pion wave function in the k T factorization formalism, whose solution sums the mixed logarithm ln x ln k T to all orders, with x ( k T ) being a parton momentum fraction (transverse momentum). This joint resummation induces strong suppression of the pion wave function in the small x and large b regions, b being the impact parameter conjugate to k T , and improves the applicability of perturbative QCD to hard exclusive processes. The above effect is similar to those from the conventional threshold resummation for the double logarithm ln2 x and the conventional k T resummation for ln2 k T . Combining the evolution equation for the hard kernel, we are able to organize all large logarithms in the γ * π 0 → γ scattering, and to establish a scheme-independent k T factorization formula. It will be shown that the significance of next-to-leading-order contributions and saturation behaviors of this process at high energy differ from those under the conventional resummations. It implies that QCD logarithmic corrections to a process must be handled appropriately, before its data are used to extract a hadron wave function. Our predictions for the involved pion transition form factor, derived under the joint resummation and the input of a non-asymptotic pion wave function with the second Gegenbauer moment a 2 = 0 .05, match reasonably well the CLEO, BaBar, and Belle data.

  3. Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions.

    PubMed

    Alcoba, Diego R; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Oña, Ofelia B

    2013-08-28

    This work extends the concept of seniority number, which has been widely used for classifying N-electron Slater determinants, to wave functions of N electrons and spin S, as well as to N-electron spin-adapted Hilbert spaces. We propose a spin-free formulation of the seniority number operator and perform a study on the behavior of the expectation values of this operator under transformations of the molecular basis sets. This study leads to propose a quantitative evaluation for the convergence of the expansions of the wave functions in terms of Slater determinants. The non-invariant character of the seniority number operator expectation value of a wave function with respect to a unitary transformation of the molecular orbital basis set, allows us to search for a change of basis which minimizes that expectation value. The results found in the description of wave functions of selected atoms and molecules show that the expansions expressed in these bases exhibit a more rapid convergence than those formulated in the canonical molecular orbital bases and even in the natural orbital ones. PMID:24006970

  4. Gutzwiller variational wave function for multiorbital Hubbard models in finite dimensions

    NASA Astrophysics Data System (ADS)

    Münster, Kevin zu; Bünemann, Jörg

    2016-07-01

    We develop a diagrammatic method for the evaluation of general multiband Gutzwiller wave functions in finite dimensions. Our approach provides a systematic improvement of the widely used Gutzwiller approximation. As a first application, we investigate itinerant ferromagnetism and correlation-induced deformations of the Fermi surface for a two-band Hubbard model on a square lattice.

  5. Evolution of the temporal slope density function for waves propagating according to the inviscid Burgers equation.

    PubMed

    Muhlestein, Michael B; Gee, Kent L

    2016-02-01

    An exact formulation for the evolution of the probability density function of the time derivative of a waveform (slope density) propagating according to the one-dimensional inviscid Burgers equation is given. The formulation relies on the implicit Earnshaw solution and therefore is only valid prior to shock formation. As explicit examples, the slope density evolution of an initially sinusoidal plane wave, initially Gaussian-distributed planar noise, and an initially triangular wave are presented. The triangular wave is used to examine weak-shock limits without violating the theoretical assumptions. It is also shown that the moments of the slope density function as a function of distance may be written as an expansion in terms of the moments of the source slope density function. From this expansion, approximate expressions are presented for the above cases as well as a specific non-Gaussian noise case intended to mimic features of jet noise. Finally, analytical predictions of the propagation of initially Gaussian-distributed noise are compared favorably with plane-wave tube measurements.

  6. Three-Dimensional Visualization of Wave Functions for Rotating Molecule: Plot of Spherical Harmonics

    ERIC Educational Resources Information Center

    Nagaoka, Shin-ichi; Teramae, Hiroyuki; Nagashima, Umpei

    2013-01-01

    At an early stage of learning quantum chemistry, undergraduate students usually encounter the concepts of the particle in a box, the harmonic oscillator, and then the particle on a sphere. Rotational levels of a diatomic molecule can be well approximated by the energy levels of the particle on a sphere. Wave functions for the particle in a…

  7. Frequency-Domain Green's Functions for Radar Waves in Heterogeneous 2.5D Media

    EPA Science Inventory

    Green’s functions for radar waves propagating in heterogeneous media may be calculated in the frequency domain using a hybrid of two numerical methods. The model is defined in the Cartesian coordinate system, and its electromagnetic properties may vary in the x and z directions, ...

  8. Numerical modeling of wave propagation in functionally graded materials using time-domain spectral Chebyshev elements

    NASA Astrophysics Data System (ADS)

    Hedayatrasa, Saeid; Bui, Tinh Quoc; Zhang, Chuanzeng; Lim, Chee Wah

    2014-02-01

    Numerical modeling of the Lamb wave propagation in functionally graded materials (FGMs) by a two-dimensional time-domain spectral finite element method (SpFEM) is presented. The high-order Chebyshev polynomials as approximation functions are used in the present formulation, which provides the capability to take into account the through thickness variation of the material properties. The efficiency and accuracy of the present model with one and two layers of 5th order spectral elements in modeling wave propagation in FGM plates are analyzed. Different excitation frequencies in a wide range of 28-350 kHz are investigated, and the dispersion properties obtained by the present model are verified by reference results. The through thickness wave structure of two principal Lamb modes are extracted and analyzed by the symmetry and relative amplitude of the vertical and horizontal oscillations. The differences with respect to Lamb modes generated in homogeneous plates are explained. Zero-crossing and wavelet signal processing-spectrum decomposition procedures are implemented to obtain phase and group velocities and their dispersion properties. So it is attested how this approach can be practically employed for simulation, calibration and optimization of Lamb wave based nondestructive evaluation techniques for the FGMs. The capability of modeling stress wave propagation through the thickness of an FGM specimen subjected to impact load is also investigated, which shows that the present method is highly accurate as compared with other existing reference data.

  9. Comparing thermal wave function methods for multi-configuration time-dependent Hartree simulations

    SciTech Connect

    Lorenz, U.; Saalfrank, P.

    2014-01-28

    We compare two methods for creating stochastic temperature wave functions that can be used for Multi-Configuration Time-Dependent Hartree (MCTDH) simulations. In the first method, the MCTDH coefficients are chosen randomly, while the other method uses a single Hartree product of random single-particle functions (SPFs). We find that using random SPFs dramatically improves convergence for a model system for surface sticking.

  10. Nuclear Transparency and Single Particle Spectral Functions from Quasielastic A(e,e'p) Reactions up to Q2=8.1 GeV2

    SciTech Connect

    David McKee

    2003-05-01

    High statistics elastic and quasielastic scattering measurements were performed on hydrogen, deuterium, carbon, and iron at squared momentum transfers up to 8.1 GeV2. Both the nuclear transparency and the single particle spectral functions were extracted by means of comparison with a Plane- Wave Impulse Approximation calculation. Our data provide no evidence of the onset of color transparency within our kinematic range.

  11. Fission yeast Lem2 and Man1 perform fundamental functions of the animal cell nuclear lamina.

    PubMed

    Gonzalez, Yanira; Saito, Akira; Sazer, Shelley

    2012-01-01

    In animal cells the nuclear lamina, which consists of lamins and lamin-associated proteins, serves several functions: it provides a structural scaffold for the nuclear envelope and tethers proteins and heterochromatin to the nuclear periphery. In yeast, proteins and large heterochromatic domains including telomeres are also peripherally localized, but there is no evidence that yeast have lamins or a fibrous nuclear envelope scaffold. Nonetheless, we found that the Lem2 and Man1 proteins of the fission yeast Schizosaccharomyces pombe, evolutionarily distant relatives of the Lap2/Emerin/Man1 (LEM) sub-family of animal cell lamin-associated proteins, perform fundamental functions of the animal cell lamina. These integral inner nuclear membrane localized proteins, with nuclear localized DNA binding Helix-Extension-Helix (HEH) domains, impact nuclear envelope structure and integrity, are essential for the enrichment of telomeres at the nuclear periphery and by means of their HEH domains anchor chromatin, most likely transcriptionally repressed heterochromatin, to the nuclear periphery. These data indicate that the core functions of the nuclear lamina are conserved between fungi and animal cells and can be performed in fission yeast, without lamins or other intermediate filament proteins.

  12. A model for the probability density function of downwelling irradiance under ocean waves.

    PubMed

    Shen, Meng; Xu, Zao; Yue, Dick K P

    2011-08-29

    We present a statistical model that analytically quantifies the probability density function (PDF) of the downwelling light irradiance under random ocean waves modeling the surface as independent and identically distributed flat facets. The model can incorporate the separate effects of surface short waves and volume light scattering. The theoretical model captures the characteristics of the PDF, from skewed to near-Gaussian shape as the depth increases from shallow to deep water. The model obtains a closed-form asymptotic for the probability that diminishes at a rate between exponential and Gaussian with increasing extreme values. The model is validated by comparisons with existing field measurements and Monte Carlo simulation.

  13. Dust Heating through Alfvén waves using Generalized (r,q) distribution function.

    NASA Astrophysics Data System (ADS)

    Kiran, Zubia

    2012-07-01

    we used quasilinear theory to calculate the resonant heating of dust particles in a hot, collisionless and magnetized plasma through Alfven waves, using (r, q) distribution function. The linear (w ,k) relation for the electromagnetic dust cyclotron Alfven waves, evaluated by using the kinetic model. The effect of heating rate on the charge, density and mass of the dust species is subsequently investigated. The dependence of the heating rate on the indices (r) and (q) of the (r,q) distribution is also investigated. It has examine that the heating is sensitive to negative value of spectral index (r).

  14. A numerically stable formulation of the Green's function parabolic equation: Subtracting the surface-wave pole.

    PubMed

    Gilbert, Kenneth E

    2015-01-01

    The original formulation of the Green's function parabolic equation (GFPE) can have numerical accuracy problems for large normalized surface impedances. To solve the accuracy problem, an improved form of the GFPE has been developed. The improved GFPE formulation is similar to the original formulation, but it has the surface-wave pole "subtracted." The improved GFPE is shown to be accurate for surface impedances varying over 2 orders of magnitude, with the largest having a magnitude exceeding 1000. Also, the improved formulation is slightly faster than the original formulation because the surface-wave component does not have to be computed separately.

  15. Electronic excitation spectra from time-dependent density functional response theory using plane-wave methods

    NASA Astrophysics Data System (ADS)

    Doltsinis, Nikos L.; Sprik, Michiel

    2000-11-01

    The time-dependent density functional response theory method for the computation of electronic excitation spectra has been implemented in a plane-wave basis set/pseudo-potential formalism. We compare our test results for N2 and H2CO to literature atomic basis set calculations and find good agreement. We also discuss some of the technical complications specific to the use of plane-wave basis sets. As an application, the thermally broadened photoabsorption spectrum of formamide at room temperature is computed by averaging over a number of vibrational configurations sampled from an ab initio molecular dynamics run and compared to experiment.

  16. Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy

    SciTech Connect

    Wehner, Johannes; Falge, Mirjam; Engel, Volker; Strunz, Walter T.

    2014-10-07

    We apply the quantum diffusion wavefunction approach to calculate vibronic two-dimensional (2D) spectra. As an example, we use a system consisting of two electronic states with harmonic oscillator potentials which are coupled to a bath and interact with three time-delayed laser pulses. The first- and second-order perturbative wave functions which enter into the expression for the third-order polarization are determined for a sufficient number of stochastic runs. The wave-packet approach, besides being an alternative technique to calculate the spectra, offers an intuitive insight into the dissipation dynamics and its relation to the 2D vibronic spectra.

  17. Preliminary Results for Crustal Structure in Southeastern Africa from P-wave Receiver Functions

    NASA Astrophysics Data System (ADS)

    Kachingwe, M.; Nyblade, A.; Mulibo, G. D.; Mulowezi, A.; Kunkuta, E.; De Magalhães, V.; Wiens, D. A.; Wysession, M. E.; Julia, J.

    2013-12-01

    The crustal structure of southeastern Africa is investigated by modeling P-wave receiver functions using H-k stacking and joint inversion methods. P-wave receiver functions are analyzed for 29 broadband seismic stations in Zambia, Malawi and Mozambique. Estimates for the Moho depth and Poisson's ratio are determined from H-k stacking, and estimates for the shear wave velocity are determined by the joint inversion of receiver functions and surface wave dispersion. Preliminary results show that Moho depths beneath southeastern Africa range from 32 km to 51 km. Thicker crust is found in Proterozoic terrains, such as the Irumide Belt, while thinner crust is found in reworked Archean terrains, such as the Bangweulu Block. These results are consistent with previous studies and global averages for Precambrian terrains. The preliminary results also show a range of Poisson's ratios from 0.2 to 0.3. These new results for southeastern Africa are being combined with similar results from elsewhere in eastern and southern Africa to improve our understanding of African crustal structure.

  18. De Broglie wavelets versus Schroedinger wave functions: A ribbon model approach to quantum theory and the mechanisms of quantum interference

    SciTech Connect

    Tang, Jau

    1996-02-01

    As an alternative to better physical explanations of the mechanisms of quantum interference and the origins of uncertainty broadening, a linear hopping model is proposed with ``color-varying`` dynamics to reflect fast exchange between time-reversed states. Intricate relations between this model, particle-wave dualism, and relativity are discussed. The wave function is shown to possess dual characteristics of a stable, localized ``soliton-like`` de Broglie wavelet and a delocalized, interfering Schroedinger carrier wave function.

  19. Nuclear Safety Functions of ITER Gas Injection System Instrumentation and Control and the Concept Design

    NASA Astrophysics Data System (ADS)

    Yang, Yu; Maruyama, S.; Fossen, A.; Villers, F.; Kiss, G.; Zhang, Bo; Li, Bo; Jiang, Tao; Huang, Xiangmei

    2016-08-01

    The ITER Gas Injection System (GIS) plays an important role on fueling, wall conditioning and distribution for plasma operation. Besides that, to support the safety function of ITER, GIS needs to implement three nuclear safety Instrumentation and Control (I&C) functions. In this paper, these three functions are introduced with the emphasis on their latest safety classifications. The nuclear I&C design concept is briefly discussed at the end.

  20. Global Propagation of Gravity Waves Generated with the Whole Atmosphere Transfer Function Model

    NASA Astrophysics Data System (ADS)

    Mayr, H. G.; Talaat, E. R.; Wolven, B. C.

    2012-12-01

    Gravity waves are ubiquitous phenomena in the Earth's atmosphere, accounting for a significant fraction of its observed variability. These waves, with periods ranging from minutes to hours, are thought to be a major means for exchange of momentum and energy between atmospheric regions. The Transfer Function Model (TFM) describes acoustic gravity waves (AGW) that propagate across the globe in a dissipative static background atmosphere extending from the ground to 700 km. The model is limited to waves with periods << 12 hr where the Coriolis force is not important. Formulated in terms of zonal vector spherical harmonics and oscillation frequencies, the linearized equations of energy, mass, and momentum conservation are solved to generate the transfer function (TF) for a chosen height distribution of the excitation source. The model accounts for momentum exchange between atmospheric species (He, O, N2, O2, Ar), which affects significantly the wave amplitudes and phases of thermospheric temperature, densities, and wind fields. Covering a broad range of frequencies and spherical harmonic wave numbers (wavelengths), without limitations, the assembled TF captures the physics that controls the propagation of AGW, and the computational effort is considerable. For a chosen horizontal geometry and impulsive time dependence of the source, however, the global wave response is then obtained in short order. The model is computationally efficient and well suited to serve as an experimental and educational tool for simulating propagating wave patterns on the globe. The model is also semi-analytical and therefore well suited to explore the different wave modes that can be generated under varying dynamical conditions. The TFM has been applied to simulate the AGW, which are generated in the auroral region of the thermosphere by joule heating and momentum coupling due to solar wind induced electric fields [e.g., Mayr et al., Space Science Reviews, 1990]. The auroral source generates

  1. Dust heating by Alfvén waves using non-Maxwellian distribution function

    SciTech Connect

    Zubia, K.; Shah, H. A.; Yoon, P. H.

    2015-08-15

    Quasilinear theory is employed in order to evaluate the resonant heating rate by Alfvén waves, of multiple species dust particles in a hot, collisionless, and magnetized plasma, with the underlying assumption that the dust velocity distribution function can be modeled by a generalized (r, q) distribution function. The kinetic linear dispersion relation for the electromagnetic dust cyclotron Alfvén waves is derived, and the dependence of the heating rate on the magnetic field, mass, and density of the dust species is subsequently investigated. The heating rate and its dependence on the spectral indices r and q of the distribution function are also investigated. It is found that the heating is sensitive to negative value of spectral index r.

  2. Non-dipolar gauge links for transverse-momentum-dependent pion wave functions

    NASA Astrophysics Data System (ADS)

    Wang, Yu-Ming

    2016-03-01

    I discuss the factorization-compatible definitions of transverse-momentumdependent (TMD) pion wave functions which are fundamental theory inputs entering QCD factorization formulae for many hard exclusive processes. I will first demonstrate that the soft subtraction factor introduced to remove both rapidity and pinch singularities can be greatly reduced by making the maximal use of the freedom to construct the Wilson-line paths when defining the TMD wave functions. I will then turn to show that the newly proposed TMD definition with non-dipolarWilson lines is equivalent to the one with dipolar gauge links and with a complicated soft function, to all orders of the perturbative expansion in the strong coupling, as far as the infrared behavior is concerned.

  3. Frequency-domain Green's functions for radar waves in heterogeneous 2.5D media

    USGS Publications Warehouse

    Ellefsen, K.J.; Croize, D.; Mazzella, A.T.; McKenna, J.R.

    2009-01-01

    Green's functions for radar waves propagating in heterogeneous 2.5D media might be calculated in the frequency domain using a hybrid method. The model is defined in the Cartesian coordinate system, and its electromagnetic properties might vary in the x- and z-directions, but not in the y-direction. Wave propagation in the x- and z-directions is simulated with the finite-difference method, and wave propagation in the y-direction is simulated with an analytic function. The absorbing boundaries on the finite-difference grid are perfectly matched layers that have been modified to make them compatible with the hybrid method. The accuracy of these numerical Greens functions is assessed by comparing them with independently calculated Green's functions. For a homogeneous model, the magnitude errors range from -4.16% through 0.44%, and the phase errors range from -0.06% through 4.86%. For a layered model, the magnitude errors range from -2.60% through 2.06%, and the phase errors range from -0.49% through 2.73%. These numerical Green's functions might be used for forward modeling and full waveform inversion. ?? 2009 Society of Exploration Geophysicists. All rights reserved.

  4. Bumps of the wave structure function in non-Kolmogorov turbulence

    NASA Astrophysics Data System (ADS)

    Qiao, Chunhong; Lu, Lu; Zhang, Pengfei; Wang, Haitao; Huang, Honghua; Fan, Chengyu

    2015-10-01

    The analytical expressions for wave structure function of plane and spherical waves are derived both in the viscous dissipation and inertial range. Due to previously research, there is a discrepancy between theoretical results and the experimental datum in viscous dissipation range. In this paper, only considering the inertial range, taking plane waves for example, we give a comparison of results of WSF calculated by the analytical formula obtained in this paper and the numerical calculations of the definition at the fixed parameter (i.e., the generalized exponent α), it can be seen that the two results are in agreement with each other exactly. Based on non-Kolmogorov power spectrum, new characteristics for wave structure function (WSF) have been found for plane and spherical wave models when the different ratio of inner scale l0 and outer scale of turbulence L0 is obtained. In outer scale assumed finite case (i.e., L0 =1m), WSF obtains the maximum when α approximates to 3.3 both for plane and spherical wave models. In outer scale assumed infinite case (i.e., L0 = ∞), the WSF can be sorted into three parts, including two rapid-rising regions (i.e., 3.0 < α < 3.3 and 3.8 < α < 4.0 ) and one gently rising region (i.e., 3.3 < α < 3.8 ).Further, the changes of scaled WSF versus the ratio of separation distance and inner scale ( p/ l0 ) are investigated under mentioned above conditions for two models. In L0 = 1m case, both for plane and spherical waves, the value of α determines the bump position of WSF. In L0 = ∞ case, the bump of scaled WSF disappears when the generalized exponent has large values. The changings of scaled WSF monotonically increase as α increased when the generalized exponent is larger than11/3 for two models. Besides, the properties of spherical waves are similar to plane waves, except which the values of WSF and the scaled WSF are smaller than plane ones.

  5. Multi-spectral Metasurface for Different Functional Control of Reflection Waves.

    PubMed

    Huang, Cheng; Pan, Wenbo; Ma, Xiaoliang; Luo, Xiangang

    2016-01-01

    Metasurface have recently generated much interest due to its strong manipulation of electromagnetic wave and its easy fabrication compared to bulky metamaterial. Here, we propose the design of a multi-spectral metasurface that can achieve beam deflection and broadband diffusion simultaneously at two different frequency bands. The metasurface is composed of two-layered metallic patterns backed by a metallic ground plane. The top-layer metasurface utilizes the cross-line structures with two different dimensions for producing 0 and π reflection phase response, while the bottom-layer metasurface is realized by a topological morphing of the I-shaped patterns for creating the gradient phase distribution. The whole metasurface is demonstrated to independently control the reflected waves to realize different functions at two bands when illuminated by a normal linear-polarized wave. Both simulation and experimental results show that the beam deflection is achieved at K-band with broadband diffusion at X-Ku band.

  6. Multi-spectral Metasurface for Different Functional Control of Reflection Waves

    PubMed Central

    Huang, Cheng; Pan, Wenbo; Ma, Xiaoliang; Luo, Xiangang

    2016-01-01

    Metasurface have recently generated much interest due to its strong manipulation of electromagnetic wave and its easy fabrication compared to bulky metamaterial. Here, we propose the design of a multi-spectral metasurface that can achieve beam deflection and broadband diffusion simultaneously at two different frequency bands. The metasurface is composed of two-layered metallic patterns backed by a metallic ground plane. The top-layer metasurface utilizes the cross-line structures with two different dimensions for producing 0 and π reflection phase response, while the bottom-layer metasurface is realized by a topological morphing of the I-shaped patterns for creating the gradient phase distribution. The whole metasurface is demonstrated to independently control the reflected waves to realize different functions at two bands when illuminated by a normal linear-polarized wave. Both simulation and experimental results show that the beam deflection is achieved at K-band with broadband diffusion at X-Ku band. PMID:27001206

  7. A Proton-Cyclotron Wave Storm Generated by Unstable Proton Distribution Functions in the Solar Wind

    NASA Technical Reports Server (NTRS)

    Wicks, R. T.; Alexander, R. L.; Stevens, M.; Wilson, L. B., III; Moya, P. S.; Vinas, A.; Jian, L. K.; Roberts, D. A.; O’Modhrain, S.; Gilbert, J. A.; Zurbuchen, T. H.

    2016-01-01

    We use audification of 0.092 seconds cadence magnetometer data from the Wind spacecraft to identify waves with amplitudes greater than 0.1 nanoteslas near the ion gyrofrequency (approximately 0.1 hertz) with duration longer than 1 hour during 2008. We present one of the most common types of event for a case study and find it to be a proton-cyclotron wave storm, coinciding with highly radial magnetic field and a suprathermal proton beam close in density to the core distribution itself. Using linear Vlasov analysis, we conclude that the long-duration, large-amplitude waves are generated by the instability of the proton distribution function. The origin of the beam is unknown, but the radial field period is found in the trailing edge of a fast solar wind stream and resembles other events thought to be caused by magnetic field footpoint motion or interchange reconnection between coronal holes and closed field lines in the corona.

  8. Multi-spectral Metasurface for Different Functional Control of Reflection Waves.

    PubMed

    Huang, Cheng; Pan, Wenbo; Ma, Xiaoliang; Luo, Xiangang

    2016-01-01

    Metasurface have recently generated much interest due to its strong manipulation of electromagnetic wave and its easy fabrication compared to bulky metamaterial. Here, we propose the design of a multi-spectral metasurface that can achieve beam deflection and broadband diffusion simultaneously at two different frequency bands. The metasurface is composed of two-layered metallic patterns backed by a metallic ground plane. The top-layer metasurface utilizes the cross-line structures with two different dimensions for producing 0 and π reflection phase response, while the bottom-layer metasurface is realized by a topological morphing of the I-shaped patterns for creating the gradient phase distribution. The whole metasurface is demonstrated to independently control the reflected waves to realize different functions at two bands when illuminated by a normal linear-polarized wave. Both simulation and experimental results show that the beam deflection is achieved at K-band with broadband diffusion at X-Ku band. PMID:27001206

  9. Heavy quark fragmentation functions for D-wave quarkonium and charmed beauty mesons

    SciTech Connect

    Cheung, K.; Yuan, T.C.

    1995-09-01

    At the large transverse momentum region, the production of heavy-heavy bound-states such as charmonium, bottomonium, and {anti b}c mesons in high energy e{sup +}e{sup {minus}} and hadronic collisions is dominated by parton fragmentation. The authors calculate the heavy quark fragmentation functions into the D-wave quarkonium and {anti b}c mesons to leading order in the strong coupling constant and in the non-relativistic expansion. In the {anti b}c meson case, one set of its D-wave states is expected to lie below the open flavor threshold. The total fragmentation probability for a {anti b} antiquark to split into the D-wave {anti b}c mesons is about 2 {times} 10{sup {minus}5}, which implies that only 2% of the total pseudo-scalar ground state B{sub c} comes from the cascades of these orbitally excited states.

  10. Dispersion function of Rayleigh waves in porous layered half-space system

    NASA Astrophysics Data System (ADS)

    Yan, Shou-Guo; Xie, Fu-Li; Li, Chang-Zheng; Zhang, Bi-Xing

    2016-06-01

    Rayleigh wave exploration is based on an elastic layered half-space model. If practical formations contain porous layers, these layers need to be simplified as an elastic medium. We studied the effects of this simplification on the results of Rayleigh wave exploration. Using a half-space model with coexisting porous and elastic layers, we derived the dispersion functions of Rayleigh waves in a porous layered half-space system with porous layers at different depths, and the problem of transferring variables to matrices of different orders is solved. To solve the significant digit overflow in the multiplication of transfer matrices, we propose a simple, effective method. Results suggest that dispersion curves differ in a lowfrequency region when a porous layer is at the surface; otherwise, the difference is small.

  11. Analytic solution of the Schroedinger equation for the Coulomb-plus-linear potential. I. The wave functions

    SciTech Connect

    Plante, Guillaume; Antippa, Adel F.

    2005-06-01

    We solve the Schroedinger equation for a quark-antiquark system interacting via a Coulomb-plus-linear potential, and obtain the wave functions as power series, with their coefficients given in terms of the combinatorics functions.

  12. [Nuclear cardiology: the present functions and future perspectives].

    PubMed

    Mei, Xiaoli; Fan, Chengzhong

    2013-02-01

    For the past decade, the diagnosis and treatment of coronary artery disease (CAD) has shifted from the traditional model by evaluating coronary artery stenosis with morphological imaging methods to a novel model by focusing on the detection of ischemia for risk stratification. The myocardial perfusion imaging (MPI) using stress single photon emission computed tomography (SPECT) has become the most commonly used stress imaging technique for the diagnosis and treatment of patients with suspected or known CAD. It has got strong supports, including those of the American College of Cardiology, American Heart Association, American Society of Nuclear Cardiology (ACC/AHA/ASNC) and other numerous clinical guidelines. They all stressed that the SPECT MPI is recommended to be used as the "gate keeper" to coronary angiography in order to prevent unnecessary intervention test and save the cost. However, in China the introduction and application of nuclear cardiology was late and highly unbalanced. This leads to the lack of understanding of nuclear cardiology in some clinicians, and there often is misunderstanding on correct selection of coronary angiography, cardiac CT, CT coronary angiography and others for diagnosis and treatment of CAD which results in a trend of over-application of these traditional techniques. In this article, we will focus on the status of nuclear cardiology, including SPECT, positron emission tomography (PET) MPI in the patients with CAD for the diagnosis of ischemia, risk stratification and management decision-making, and also compare it with the traditional morphological imaging techniques. In addition, we will briefly introduce the recent advances in cardiac hybrid imaging and molecular imaging. The aim of this paper is to popularize the knowledge of nuclear cardiology, and promote the rational application of nuclear cardiology in China.

  13. Reliability assessment of different plate theories for elastic wave propagation analysis in functionally graded plates.

    PubMed

    Mehrkash, Milad; Azhari, Mojtaba; Mirdamadi, Hamid Reza

    2014-01-01

    The importance of elastic wave propagation problem in plates arises from the application of ultrasonic elastic waves in non-destructive evaluation of plate-like structures. However, precise study and analysis of acoustic guided waves especially in non-homogeneous waveguides such as functionally graded plates are so complicated that exact elastodynamic methods are rarely employed in practical applications. Thus, the simple approximate plate theories have attracted much interest for the calculation of wave fields in FGM plates. Therefore, in the current research, the classical plate theory (CPT), first-order shear deformation theory (FSDT) and third-order shear deformation theory (TSDT) are used to obtain the transient responses of flexural waves in FGM plates subjected to transverse impulsive loadings. Moreover, comparing the results with those based on a well recognized hybrid numerical method (HNM), we examine the accuracy of the plate theories for several plates of various thicknesses under excitations of different frequencies. The material properties of the plate are assumed to vary across the plate thickness according to a simple power-law distribution in terms of volume fractions of constituents. In all analyses, spatial Fourier transform together with modal analysis are applied to compute displacement responses of the plates. A comparison of the results demonstrates the reliability ranges of the approximate plate theories for elastic wave propagation analysis in FGM plates. Furthermore, based on various examples, it is shown that whenever the plate theories are used within the appropriate ranges of plate thickness and frequency content, solution process in wave number-time domain based on modal analysis approach is not only sufficient but also efficient for finding the transient waveforms in FGM plates.

  14. Majorana wave-function oscillations, fermion parity switches, and disorder in Kitaev chains

    NASA Astrophysics Data System (ADS)

    Hegde, Suraj S.; Vishveshwara, Smitha

    2016-09-01

    We study the decay and oscillations of Majorana fermion wave functions and ground-state (GS) fermion parity in one-dimensional topological superconducting lattice systems. Using a Majorana transfer matrix method, we find that Majorana wave-function properties are encoded in the associated Lyapunov exponent, which in turn is the sum of two independent components: a "superconducting component," which characterizes the gap induced decay, and the "normal component," which determines the oscillations and response to chemical potential configurations. The topological phase transition separating phases with and without Majorana end modes is seen to be a cancellation of these two components. We show that Majorana wave-function oscillations are completely determined by an underlying nonsuperconducting tight-binding model and are solely responsible for GS fermion parity switches in finite-sized systems. These observations enable us to analytically chart out wave-function oscillations, the resultant GS parity configuration as a function of parameter space in uniform wires, and special parity switch points where degenerate zero energy Majorana modes are restored in spite of finite size effects. For disordered wires, we find that band oscillations are completely washed out leading to a second localization length for the Majorana mode and the remnant oscillations are randomized as per Anderson localization physics in normal systems. Our transfer matrix method further allows us to (i) reproduce known results on the scaling of midgap Majorana states and demonstrate the origin of its log-normal distribution, (ii) identify contrasting behavior of disorder-dependent GS parity switches for the cases of even versus odd number of lattice sites, and (iii) chart out the GS parity configuration and associated parity switch points as a function of disorder strength.

  15. A Crowdsourced nucleus: Understanding nuclear organization in terms of dynamically networked protein function

    PubMed Central

    Wood, Ashley M.; Garza-Gongora, Arturo G.; Kosak, Steven T.

    2014-01-01

    The spatial organization of the nucleus results in a compartmentalized structure that affects all aspects of nuclear function. This compartmentalization involves genome organization as well as the formation of nuclear bodies and plays a role in many functions, including gene regulation, genome stability, replication, and RNA processing. Here we review the recent findings associated with the spatial organization of the nucleus and reveal that a common theme for nuclear proteins is their ability to participate in a variety of functions and pathways. We consider this multiplicity of function in terms of Crowdsourcing, a recent phenomenon in the world of information technology, and suggest that this model provides a novel way to synthesize the many intersections between nuclear organization and function. PMID:24412853

  16. {sup 63}Cu and {sup 197}Au nuclear quadrupole moments from four-component relativistic density-functional calculations using correct long-range exchange

    SciTech Connect

    Thierfelder, Christian; Schwerdtfeger, Peter; Saue, Trond

    2007-09-15

    The electric field gradient in late transition metal compounds is incorrectly determined by most density functionals. We show that the coupling of short-range density functional based with long-range wave function based methods using a reparametrization of the Coulomb-attenuated Becke three-parameter Lee-Yang-Parr approximation gives reliable results for the electric field gradients of copper and gold for a series of compounds. This results in nuclear quadrupole moments of -0.208 b for {sup 63}Cu and +0.526 b for {sup 197}Au in good agreement with experimental values of -0.220(15) and +0.547(16)b, respectively.

  17. An accurate Fortran code for computing hydrogenic continuum wave functions at a wide range of parameters

    NASA Astrophysics Data System (ADS)

    Peng, Liang-You; Gong, Qihuang

    2010-12-01

    The accurate computations of hydrogenic continuum wave functions are very important in many branches of physics such as electron-atom collisions, cold atom physics, and atomic ionization in strong laser fields, etc. Although there already exist various algorithms and codes, most of them are only reliable in a certain ranges of parameters. In some practical applications, accurate continuum wave functions need to be calculated at extremely low energies, large radial distances and/or large angular momentum number. Here we provide such a code, which can generate accurate hydrogenic continuum wave functions and corresponding Coulomb phase shifts at a wide range of parameters. Without any essential restrict to angular momentum number, the present code is able to give reliable results at the electron energy range [10,10] eV for radial distances of [10,10] a.u. We also find the present code is very efficient, which should find numerous applications in many fields such as strong field physics. Program summaryProgram title: HContinuumGautchi Catalogue identifier: AEHD_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHD_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1233 No. of bytes in distributed program, including test data, etc.: 7405 Distribution format: tar.gz Programming language: Fortran90 in fixed format Computer: AMD Processors Operating system: Linux RAM: 20 MBytes Classification: 2.7, 4.5 Nature of problem: The accurate computation of atomic continuum wave functions is very important in many research fields such as strong field physics and cold atom physics. Although there have already existed various algorithms and codes, most of them can only be applicable and reliable in a certain range of parameters. We present here an accurate FORTRAN program for

  18. Fission fragment charge and mass distributions in 239Pu(n ,f ) in the adiabatic nuclear energy density functional theory

    NASA Astrophysics Data System (ADS)

    Regnier, D.; Dubray, N.; Schunck, N.; Verrière, M.

    2016-05-01

    Background: Accurate knowledge of fission fragment yields is an essential ingredient of numerous applications ranging from the formation of elements in the r process to fuel cycle optimization for nuclear energy. The need for a predictive theory applicable where no data are available, together with the variety of potential applications, is an incentive to develop a fully microscopic approach to fission dynamics. Purpose: In this work, we calculate the pre-neutron emission charge and mass distributions of the fission fragments formed in the neutron-induced fission of 239Pu using a microscopic method based on nuclear density functional theory (DFT). Methods: Our theoretical framework is the nuclear energy density functional (EDF) method, where large-amplitude collective motion is treated adiabatically by using the time-dependent generator coordinate method (TDGCM) under the Gaussian overlap approximation (GOA). In practice, the TDGCM is implemented in two steps. First, a series of constrained EDF calculations map the configuration and potential-energy landscape of the fissioning system for a small set of collective variables (in this work, the axial quadrupole and octupole moments of the nucleus). Then, nuclear dynamics is modeled by propagating a collective wave packet on the potential-energy surface. Fission fragment distributions are extracted from the flux of the collective wave packet through the scission line. Results: We find that the main characteristics of the fission charge and mass distributions can be well reproduced by existing energy functionals even in two-dimensional collective spaces. Theory and experiment agree typically within two mass units for the position of the asymmetric peak. As expected, calculations are sensitive to the structure of the initial state and the prescription for the collective inertia. We emphasize that results are also sensitive to the continuity of the collective landscape near scission. Conclusions: Our analysis confirms

  19. Kinetic Alfven wave in the presence of kappa distribution function in plasma sheet boundary layer

    SciTech Connect

    Shrivastava, G. Ahirwar, G.; Shrivastava, J.

    2015-07-31

    The particle aspect approach is adopted to investigate the trajectories of charged particles in the electromagnetic field of kinetic Alfven wave. Expressions are found for the dispersion relation, damping/growth rate and associated currents in the presence of kappa distribution function. Kinetic effect of electrons and ions are included to study kinetic Alfven wave because both are important in the transition region. It is found that the ratio β of electron thermal energy density to magnetic field energy density and the ratio of ion to electron thermal temperature (T{sub i}/T{sub e}), and kappa distribution function affect the dispersion relation, damping/growth rate and associated currents in both cases(warm and cold electron limit).The treatment of kinetic Alfven wave instability is based on assumption that the plasma consist of resonant and non resonant particles. The resonant particles participate in an energy exchange process, whereas the non resonant particles support the oscillatory motion of the wave.

  20. Love waves in functionally graded piezoelectric materials by stiffness matrix method.

    PubMed

    Ben Salah, Issam; Wali, Yassine; Ben Ghozlen, Mohamed Hédi

    2011-04-01

    A numerical matrix method relative to the propagation of ultrasonic guided waves in functionally graded piezoelectric heterostructure is given in order to make a comparative study with the respective performances of analytical methods proposed in literature. The preliminary obtained results show a good agreement, however numerical approach has the advantage of conceptual simplicity and flexibility brought about by the stiffness matrix method. The propagation behaviour of Love waves in a functionally graded piezoelectric material (FGPM) is investigated in this article. It involves a thin FGPM layer bonded perfectly to an elastic substrate. The inhomogeneous FGPM heterostructure has been stratified along the depth direction, hence each state can be considered as homogeneous and the ordinary differential equation method is applied. The obtained solutions are used to study the effect of an exponential gradient applied to physical properties. Such numerical approach allows applying different gradient variation for mechanical and electrical properties. For this case, the obtained results reveal opposite effects. The dispersive curves and phase velocities of the Love wave propagation in the layered piezoelectric film are obtained for electrical open and short cases on the free surface, respectively. The effect of gradient coefficients on coupled electromechanical factor, on the stress fields, the electrical potential and the mechanical displacement are discussed, respectively. Illustration is achieved on the well known heterostructure PZT-5H/SiO(2), the obtained results are especially useful in the design of high-performance acoustic surface devices and accurately prediction of the Love wave propagation behaviour.

  1. The Transfer Function Model (TFM) as a Tool for Simulating Gravity Wave Phenomena in the Mesosphere

    NASA Astrophysics Data System (ADS)

    Porter, H.; Mayr, H.; Moore, J.; Wilson, S.; Armaly, A.

    2008-12-01

    The Transfer Function Model (TFM) is semi-analytical and linear, and it is designed to describe the acoustic gravity waves (GW) propagating over the globe and from the ground to 600 km under the influence of vertical temperature variations. Wave interactions with the flow are not accounted for. With an expansion in terms of frequency-dependent spherical harmonics, the time consuming vertical integration of the conservation equations is reduced to computing the transfer function (TF). (The applied lower and upper boundary conditions assure that spurious wave reflections will not occur.) The TF describes the dynamical properties of the medium divorced from the complexities of the temporal and horizontal variations of the excitation source. Given the TF, the atmospheric response to a chosen source is then obtained in short order to simulate the GW propagating through the atmosphere over the globe. In the past, this model has been applied to study auroral processes, which produce distinct wave phenomena such as: (1) standing lamb modes that propagate horizontally in the viscous medium of the thermosphere, (2) waves generated in the auroral oval that experience geometric amplification propagating to the pole where constructive interference generates secondary waves that propagate equatorward, (3) ducted modes propagating through the middle atmosphere that leak back into the thermosphere, and (4) GWs reflected from the Earth's surface that reach the thermosphere in a narrow propagation cone. Well-defined spectral features characterize these wave modes in the TF to provide analytical understanding. We propose the TFM as a tool for simulating GW in the mesosphere and in particular the features observed in Polar Mesospheric Clouds (PMC). With present-day computers, it takes less than one hour to compute the TF, so that there is virtually no practical limitation on the source configurations that can be applied and tested in the lower atmosphere. And there is no limitation on

  2. ζ-FUNCTION Technique for Quantum Cosmology:. the Contributions of Matter Fields to the Hartle-Hawking Wave Function of the Universe

    NASA Astrophysics Data System (ADS)

    Kamenshchik, A. Yu.; Mishakov, I. V.

    We investigate the contributions of matter fields to the Hartle-Hawking wave function of the Universe in the one-loop approximation. The values ζ(0), which describe the scaling behavior of the wave function calculated on the background representing the part of four-dimensional DeSitter sphere, are calculated for scalar, electromagnetic, graviton, spin-1/2 and spin-3/2 fields. The ζ-function technique is used and developed for these calculations. The obtained results can be applied to a detailed investigation of the structure of the Hartle-Hawking wave function.

  3. Sensory Function: Insights From Wave 2 of the National Social Life, Health, and Aging Project

    PubMed Central

    Kern, David W.; Wroblewski, Kristen E.; Chen, Rachel C.; Schumm, L. Philip; McClintock, Martha K.

    2014-01-01

    Objectives. Sensory function, a critical component of quality of life, generally declines with age and influences health, physical activity, and social function. Sensory measures collected in Wave 2 of the National Social Life, Health, and Aging Project (NSHAP) survey focused on the personal impact of sensory function in the home environment and included: subjective assessment of vision, hearing, and touch, information on relevant home conditions and social sequelae as well as an improved objective assessment of odor detection. Method. Summary data were generated for each sensory category, stratified by age (62–90 years of age) and gender, with a focus on function in the home setting and the social consequences of sensory decrements in each modality. Results. Among both men and women, older age was associated with self-reported impairment of vision, hearing, and pleasantness of light touch. Compared with women, men reported significantly worse hearing and found light touch less appealing. There were no gender differences for vision. Overall, hearing loss seemed to have a greater impact on social function than did visual impairment. Discussion. Sensory function declines across age groups, with notable gender differences for hearing and light touch. Further analysis of sensory measures from NSHAP Wave 2 may provide important information on how sensory declines are related to health, social function, quality of life, morbidity, and mortality in this nationally representative sample of older adults. PMID:25360015

  4. The acoustical Klein-Gordon equation: the wave-mechanical step and barrier potential functions.

    PubMed

    Forbes, Barbara J; Pike, E Roy; Sharp, David B

    2003-09-01

    The transformed form of the Webster equation is investigated. Usually described as analogous to the Schrödinger equation of quantum mechanics, it is noted that the second-order time dependency defines a Klein-Gordon problem. This "acoustical Klein-Gordon equation" is analyzed with particular reference to the acoustical properties of wave-mechanical potential functions, U(x), that give rise to geometry-dependent dispersions at rapid variations in tract cross section. Such dispersions are not elucidated by other one-dimensional--cylindrical or conical--duct models. Since Sturm-Liouville analysis is not appropriate for inhomogeneous boundary conditions, the exact solution of the Klein-Gordon equation is achieved through a Green's-function methodology referring to the transfer matrix of an arbitrary string of square potential functions, including a square barrier equivalent to a radiation impedance. The general conclusion of the paper is that, in the absence of precise knowledge of initial conditions on the area function, any given potential function will map to a multiplicity of area functions of identical relative resonance characteristics. Since the potential function maps uniquely to the acoustical output, it is suggested that the one-dimensional wave physics is both most accurately and most compactly described within the Klein-Gordon framework.

  5. BAF53 Forms Distinct Nuclear Complexes and Functions as a Critical c-Myc-Interacting Nuclear Cofactor for Oncogenic Transformation

    PubMed Central

    Park, Jeonghyeon; Wood, Marcelo A.; Cole, Michael D.

    2002-01-01

    The c-Myc oncoprotein functions as a transcription factor that can transform normal cells into tumor cells, as well as playing a direct role in normal cell proliferation. The c-Myc protein transactivates cellular promoters by recruiting nuclear cofactors to chromosomal sites through an N-terminal transactivation domain. We have previously reported the identification and functional characterization of four different c-Myc cofactors: TRRAP, hGCN5, TIP49, and TIP48. Here we present the identification and characterization of the actin-related protein BAF53 as a c-Myc-interacting nuclear cofactor that forms distinct nuclear complexes. In addition to the human SWI/SNF-related BAF complex, BAF53 forms a complex with TIP49 and TIP48 and a separate biochemically distinct complex containing TRRAP and a histone acetyltransferase which does not contain TIP60. Using deletion mutants of BAF53, we show that BAF53 is critical for c-Myc oncogenic activity. Our results indicate that BAF53 plays a functional role in c-Myc-interacting nuclear complexes. PMID:11839798

  6. Calculations of properties of screened He-like systems using correlated wave functions.

    PubMed

    Dai, S T; Solovyova, A; Winkler, P

    2001-07-01

    The purpose of the present study is twofold. First, the techniques of correlated wave functions for two-electron systems have been extended to obtain results for P and D states in a screening environment, and in particular for Debye screening. In these calculations, the satisfaction of both the quantum virial theorem and a related sum rule has been enforced and found to provide a high degree of stability of the solutions. Second, in order to facilitate the general use of correlated wave functions in combination with sum rule stability criteria, a rather systematic computational approach to this notoriously cumbersome method has been developed and thoroughly discussed here. Accurate calculations for few-electron systems are of interest to plasma diagnostics; in particular, when inaccuracies in binding energies are drastically magnified as they occur in exponents of Boltzmann factors.

  7. Is a system's wave function in one-to-one correspondence with its elements of reality?

    PubMed

    Colbeck, Roger; Renner, Renato

    2012-04-13

    Although quantum mechanics is one of our most successful physical theories, there has been a long-standing debate about the interpretation of the wave function--the central object of the theory. Two prominent views are that (i) it corresponds to an element of reality, i.e., an objective attribute that exists before measurement, and (ii) it is a subjective state of knowledge about some underlying reality. A recent result [M. F. Pusey, J. Barrett, and T. Rudolph, arXiv:1111.3328] has placed the subjective interpretation into doubt, showing that it would contradict certain physically plausible assumptions, in particular, that multiple systems can be prepared such that their elements of reality are uncorrelated. Here we show, based only on the assumption that measurement settings can be chosen freely, that a system's wave function is in one-to-one correspondence with its elements of reality. This also eliminates the possibility that it can be interpreted subjectively.

  8. Wave functions of the Q .Q interaction in terms of unitary 9-j coefficients

    NASA Astrophysics Data System (ADS)

    Zamick, Larry; Harper, Matthew

    2015-03-01

    We obtain wave functions for two protons and two neutrons in the g9 /2 shell expressed as column vectors with amplitudes D (Jp,Jn) . When we use a quadrupole-quadrupole interaction (Q .Q ) we get, in many cases, a very strong overlap with wave functions given by a single set of unitary 9-j coefficients—U 9 j =<(jj ) 2 j(jjJB|(jj ) Jp(jj ) Jn) I> . Here JB=9 for even I T =0 states. For both even and odd T =1 states we take JB equal to 8 whilst for odd I ,T =0 we take JB to be 7. We compare the Q .Q results with those of a more realistic interaction.

  9. Dynamical Quantum Phase Transitions: Role of Topological Nodes in Wave Function Overlaps.

    PubMed

    Huang, Zhoushen; Balatsky, Alexander V

    2016-08-19

    A sudden quantum quench of a Bloch band from one topological phase toward another has been shown to exhibit an intimate connection with the notion of a dynamical quantum phase transition (DQPT), where the returning probability of the quenched state to the initial state-i.e., the Loschmidt echo-vanishes at critical times {t^{*}}. Analytical results to date are limited to two-band models, leaving the exact relation between topology and DQPT unclear. In this Letter, we show that, for a general multiband system, a robust DQPT relies on the existence of nodes (i.e., zeros) in the wave function overlap between the initial band and the postquench energy eigenstates. These nodes are topologically protected if the two participating wave functions have distinctive topological indices. We demonstrate these ideas in detail for both one and two spatial dimensions using a three-band generalized Hofstadter model. We also discuss possible experimental observations. PMID:27588874

  10. Measurements of ocean wave spectra and modulation transfer function with the airborne two frequency scatterometer

    NASA Technical Reports Server (NTRS)

    Weissman, D. E.; Johnson, J. W.

    1984-01-01

    The directional spectrum and the microwave modulation transfer function of ocean waves can be measured with the airborne two frequency scatterometer technique. Similar to tower based observations, the aircraft measurements of the Modulation Transfer Function (MTF) show that it is strongly affected by both wind speed and sea state. Also detected are small differences in the magnitudes of the MTF between downwind and upwind radar look directions, and variations with ocean wavenumber. The MTF inferred from the two frequency radar is larger than that measured using single frequency, wave orbital velocity techniques such as tower based radars or ROWS measurements from low altitude aircraft. Possible reasons for this are discussed. The ability to measure the ocean directional spectrum with the two frequency scatterometer, with supporting MTF data, is demonstrated.

  11. The Hartle-Hawking wave function in 2D causal set quantum gravity

    NASA Astrophysics Data System (ADS)

    Glaser, Lisa; Surya, Sumati

    2016-03-01

    We define the Hartle-Hawking no-boundary wave function for causal set theory (CST) over the discrete analogs of spacelike hypersurfaces. Using Markov Chain Monte Carlo and numerical integration methods we analyze the wave function in non-perturbative 2D CST. We find that in the low-temperature regime it is dominated by causal sets which have no continuum counterparts but possess physically interesting geometric properties. Not only do they exhibit a rapid spatial expansion with respect to the discrete proper time, but a high degree of spatial homogeneity. The latter is due to the extensive overlap of the causal pasts of the elements in the final discrete hypersurface and corresponds to high graph connectivity. Our results thus suggest new possibilities for the role of quantum gravity in the observable Universe.

  12. Form Factors and Wave Functions of Vector Mesons in Holographic QCD

    SciTech Connect

    Hovhannes R. Grigoryan; Anatoly V. Radyushkin

    2007-07-01

    Within the framework of a holographic dual model of QCD, we develop a formalism for calculating form factors of vector mesons. We show that the holographic bound states can be described not only in terms of eigenfunctions of the equation of motion, but also in terms of conjugate wave functions that are close analogues of quantum-mechanical bound state wave functions. We derive a generalized VMD representation for form factors, and find a very specific VMD pattern, in which form factors are essentially given by contributions due to the first two bound states in the Q^2-channel. We calculate electric radius of the \\rho-meson, finding the value < r_\\rho^2>_C = 0.53 fm^2.

  13. Calculations of properties of screened He-like systems using correlated wave functions.

    PubMed

    Dai, S T; Solovyova, A; Winkler, P

    2001-07-01

    The purpose of the present study is twofold. First, the techniques of correlated wave functions for two-electron systems have been extended to obtain results for P and D states in a screening environment, and in particular for Debye screening. In these calculations, the satisfaction of both the quantum virial theorem and a related sum rule has been enforced and found to provide a high degree of stability of the solutions. Second, in order to facilitate the general use of correlated wave functions in combination with sum rule stability criteria, a rather systematic computational approach to this notoriously cumbersome method has been developed and thoroughly discussed here. Accurate calculations for few-electron systems are of interest to plasma diagnostics; in particular, when inaccuracies in binding energies are drastically magnified as they occur in exponents of Boltzmann factors. PMID:11461411

  14. Auxiliary-field based trial wave functions in quantum Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Chang, Chia-Chen; Rubenstein, Brenda; Morales, Miguel

    We propose a simple scheme for generating correlated multi-determinant trial wave functions for quantum Monte Carlo algorithms. The method is based on the Hubbard-Stratonovich transformation which decouples a two-body Jastrow-type correlator into one-body projectors coupled to auxiliary fields. We apply the technique to generate stochastic representations of the Gutzwiller wave function, and present benchmark resuts for the ground state energy of the Hubbard model in one dimension. Extensions of the proposed scheme to chemical systems will also be discussed. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, 15-ERD-013.

  15. Dynamical Quantum Phase Transitions: Role of Topological Nodes in Wave Function Overlaps

    NASA Astrophysics Data System (ADS)

    Huang, Zhoushen; Balatsky, Alexander V.

    2016-08-01

    A sudden quantum quench of a Bloch band from one topological phase toward another has been shown to exhibit an intimate connection with the notion of a dynamical quantum phase transition (DQPT), where the returning probability of the quenched state to the initial state—i.e., the Loschmidt echo—vanishes at critical times {t*}. Analytical results to date are limited to two-band models, leaving the exact relation between topology and DQPT unclear. In this Letter, we show that, for a general multiband system, a robust DQPT relies on the existence of nodes (i.e., zeros) in the wave function overlap between the initial band and the postquench energy eigenstates. These nodes are topologically protected if the two participating wave functions have distinctive topological indices. We demonstrate these ideas in detail for both one and two spatial dimensions using a three-band generalized Hofstadter model. We also discuss possible experimental observations.

  16. Velocity and attenuation of scalar and elastic waves in random media: a spectral function approach.

    PubMed

    Calvet, Marie; Margerin, Ludovic

    2012-03-01

    This paper investigates the scattering of scalar and elastic waves in two-phase materials and single-mineral-cubic, hexagonal, orthorhombic-polycrystalline aggregates with randomly oriented grains. Based on the Dyson equation for the mean field, explicit expressions for the imaginary part of Green's function in the frequency-wavenumber domain (ω, p), also known as the spectral function, are derived. This approach allows the identification of propagating modes with their relative contribution, and the computation of both attenuation and phase velocity for each mode. The results should be valid from the Rayleigh (low-frequency) to the geometrical optics (high-frequency) regime. Comparisons with other approaches are presented for both scalar and elastic waves. PMID:22423683

  17. Scalar diffraction modeling in optical disk recording using wave function assembling.

    PubMed

    Yin, Bin; Coene, Wim M J; Hekstra, Andries P

    2007-08-10

    A new scalar diffraction modeling method for simulating the readout signal of optical disks is described. The information layer is discretized into pixels that are grouped in specific ways to form written and unwritten areas. A set of 2D wave functions resulting from these pixels at the detection aperture is established. A readout signal is obtained via the assembly of wave functions from this set according to the content under the scanning spot. The method allows efficient simulation of jitter noise due to edge deformation of recorded marks, which is important at high densities. It is also capable of simulating a physically irregular mark, thereby helping to understand and optimize the recording process.

  18. Extracting the spectral function of 4He from a relativistic plane-wave treatment

    NASA Astrophysics Data System (ADS)

    Abu-Raddad, L. J.; Piekarewicz, J.

    2001-12-01

    The spectral function of 4He is extracted from a plane-wave approximation to the (e,e'p) reaction using a fully relativistic formalism. We take advantage of both an algebraic ``trick'' and a general relativistic formalism for quasifree processes developed earlier to arrive at transparent, analytical expressions for all quasifree (e,e'p) observables. An observable is identified for the clean and model-independent extraction of the spectral function. Our simple relativistic plane-wave calculations provide baseline predictions for the recently measured, but not yet fully analyzed, momentum distribution of 4He by the A1 Collaboration from Mainz. Yet in spite of its simplicity, our approach predicts momentum distributions for 4He that rival some of the best nonrelativistic calculations to date. Finally, we highlight some of the challenges and opportunities that remain, both theoretically and experimentally, in the extraction of quasifree observables.

  19. Extracting the spectral function of He-4 from a relativistic plane-wave treatment

    NASA Astrophysics Data System (ADS)

    Abu-Raddad, Laith; Piekarewicz, Jorge

    2001-10-01

    The spectral function of He-4 is extracted from a plane-wave approximation to the (e,e'p) reaction using a fully relativistic formalism. We take advantage of both an algebraic ``trick'' and a general relativistic formalism for quasifree processes developed earlier to arrive at transparent, analytical expressions for all quasifree (e,e'p) observables. An observable is identified for the clean and model-independent extraction of the spectral function. Our simple relativistic plane-wave calculations provide baseline predictions for the recently measured, but not yet fully analyzed, momentum distribution of He-4 by the A1-collaboration from Mainz. Yet in spite of its simplicity, our approach predicts momentum distributions for He-4 that rival some of the best nonrelativistic calculations to date. Finally, we highlight some of the challenges and opportunities that remain, both theoretically and experimentally, in the extraction of quasifree observables.

  20. Multi-configurational explicitly correlated wave functions for the study of confined many electron atoms

    NASA Astrophysics Data System (ADS)

    Sarsa, A.; Buendía, E.; Gálvez, F. J.

    2016-07-01

    Explicitly correlated wave functions to study confined atoms under impenetrable spherical walls have been obtained. Configuration mixing and a correlation factor are included in the variational ansatz. The behaviors of the ground state and some low-lying excited states of He, Be, B and C atoms with the confinement size are analyzed. Level crossing with confinement is found for some cases. This effect is analyzed in terms of the single particle energy of the occupied orbitals. The multi-configuration parameterized optimized effective potential method is employed with a cut-off factor to account for Dirichlet boundary conditions. The variational Monte Carlo method is used to deal with explicitly correlated wave functions.

  1. PML nuclear bodies: regulation, function and therapeutic perspectives.

    PubMed

    Sahin, Umut; Lallemand-Breitenbach, Valérie; de Thé, Hugues

    2014-11-01

    PML nuclear bodies (NBs) were first described by electron microscopy and rediscovered through their treatment-reversible disruption in a rare leukaemia. They recruit multiple partner proteins and now emerge as interferon- and oxidative stress-responsive sumoylation factories. NBs mediate interferon-induced viral restriction, enhance proteolysis, finely tune metabolism and enforce stress-induced senescence. Apart from being markers of cellular stress, PML NBs could be harnessed pharmacologically in a number of conditions, including cancer, viral infection or neurodegenerative diseases.

  2. Understanding the 5/2 fractional quantum Hall effect without the Pfaffian wave function.

    PubMed

    Toke, Csaba; Jain, Jainendra K

    2006-06-23

    It is demonstrated that an understanding of the 5/2 fractional quantum Hall effect can be achieved within the composite fermion theory without appealing to the Pfaffian wave function. The residual interaction between composite fermions plays a crucial role in establishing incompressibility at this filling factor. This approach has the advantage of being amenable to systematic perturbative improvements, and produces ground as well as excited states. It, however, does not relate to non-Abelian statistics in any obvious manner.

  3. LINC'ing form and function at the nuclear envelope.

    PubMed

    Meinke, Peter; Schirmer, Eric C

    2015-09-14

    The nuclear envelope is an amazing piece of engineering. On one hand it is built like a mediaeval fortress with filament systems reinforcing its membrane walls and its double membrane structure forming a lumen like a castle moat. On the other hand its structure can adapt while maintaining its integrity like a reed bending in a river. Like a fortress it has guarded drawbridges in the nuclear pore complexes, but also has other mechanical means of communication. All this is enabled largely because of the LINC complex, a multi-protein structure that connects the intermediate filament nucleoskeleton across the lumen of the double membrane nuclear envelope to multiple cytoplasmic filament systems that themselves could act simultaneously both like mediaeval buttresses and like lines on a suspension bridge. Although many details of the greater LINC structure remain to be discerned, a number of recent findings are giving clues as to how its structural organization can yield such striking dynamic yet stable properties. Combining double- and triple-helical coiled-coils, intrinsic disorder and order, tissue-specific components, and intermediate filaments enables these unique properties. PMID:26096784

  4. Working With the Wave Equation in Aeroacoustics: The Pleasures of Generalized Functions

    NASA Technical Reports Server (NTRS)

    Farassat, F.; Brentner, Kenneth S.; Dunn, mark H.

    2007-01-01

    The theme of this paper is the applications of generalized function (GF) theory to the wave equation in aeroacoustics. We start with a tutorial on GFs with particular emphasis on viewing functions as continuous linear functionals. We next define operations on GFs. The operation of interest to us in this paper is generalized differentiation. We give many applications of generalized differentiation, particularly for the wave equation. We discuss the use of GFs in finding Green s function and some subtleties that only GF theory can clarify without ambiguities. We show how the knowledge of the Green s function of an operator L in a given domain D can allow us to solve a whole range of problems with operator L for domains situated within D by the imbedding method. We will show how we can use the imbedding method to find the Kirchhoff formulas for stationary and moving surfaces with ease and elegance without the use of the four-dimensional Green s theorem, which is commonly done. Other subjects covered are why the derivatives in conservation laws should be viewed as generalized derivatives and what are the consequences of doing this. In particular we show how we can imbed a problem in a larger domain for the identical differential equation for which the Green s function is known. The primary purpose of this paper is to convince the readers that GF theory is absolutely essential in aeroacoustics because of its powerful operational properties. Furthermore, learning the subject and using it can be fun.

  5. Many-body Localization Transition in Rokhsar-Kivelson-type wave functions

    NASA Astrophysics Data System (ADS)

    Chen, Xiao; Yu, Xiongjie; Cho, Gil Young; Clark, Bryan; Fradkin, Eduardo

    We construct a family of many-body wave functions to study the many-body localization phase transition. The wave functions have a Rokhsar-Kivelson form, in which the weight for the configurations are chosen from the Gibbs weights of a classical spin glass model, known as the Random Energy Model, multiplied by a random sign structure to represent a highly excited state. These wave functions show a phase transition into an MBL phase. In addition, we see three regimes of entanglement scaling with subsystem size: scaling with entanglement corresponding to an infinite temperature thermal phase, constant scaling, and a sub-extensive scaling between these limits. Near the phase transition point, the fluctuations of the Renyi entropies are non-Gaussian. We find that Renyi entropies with different Renyi index transition into the MBL phase at different points and have different scaling behavior, suggesting a multifractal behavior. This work was supported in part by DMR-1064319 and DMR-1408713 (XC,GYC,EF) at the University of Illinois, PHY11-25915 at KITP (EF), DOE, SciDAC FG02-12ER46875 (BKC and XY), and the Brain Korea 21 PLUS Project of Korea Government (GYC).

  6. Emergence of complex and spinor wave functions in scale relativity. I. Nature of scale variables

    SciTech Connect

    Nottale, Laurent; Célérier, Marie-Noëlle

    2013-11-15

    One of the main results of scale relativity as regards the foundation of quantum mechanics is its explanation of the origin of the complex nature of the wave function. The scale relativity theory introduces an explicit dependence of physical quantities on scale variables, founding itself on the theorem according to which a continuous and non-differentiable space-time is fractal (i.e., scale-divergent). In the present paper, the nature of the scale variables and their relations to resolutions and differential elements are specified in the non-relativistic case (fractal space). We show that, owing to the scale-dependence which it induces, non-differentiability involves a fundamental two-valuedness of the mean derivatives. Since, in the scale relativity framework, the wave function is a manifestation of the velocity field of fractal space-time geodesics, the two-valuedness of velocities leads to write them in terms of complex numbers, and yields therefore the complex nature of the wave function, from which the usual expression of the Schrödinger equation can be derived.

  7. Identification and functional characterization of a novel bipartite nuclear localization sequence in ARID1A.

    PubMed

    Bateman, Nicholas W; Shoji, Yutaka; Conrads, Kelly A; Stroop, Kevin D; Hamilton, Chad A; Darcy, Kathleen M; Maxwell, George L; Risinger, John I; Conrads, Thomas P

    2016-01-01

    AT-rich interactive domain-containing protein 1A (ARID1A) is a recently identified nuclear tumor suppressor frequently altered in solid tumor malignancies. We have identified a bipartite-like nuclear localization sequence (NLS) that contributes to nuclear import of ARID1A not previously described. We functionally confirm activity using GFP constructs fused with wild-type or mutant NLS sequences. We further show that cyto-nuclear localized, bipartite NLS mutant ARID1A exhibits greater stability than nuclear-localized, wild-type ARID1A. Identification of this undescribed functional NLS within ARID1A contributes vital insights to rationalize the impact of ARID1A missense mutations observed in patient tumors.

  8. Gain-of-Function Alleles in Caenorhabditis elegans Nuclear Hormone Receptor nhr-49 Are Functionally Distinct

    PubMed Central

    Lee, Kayoung; Goh, Grace Ying Shyen; Wong, Marcus Andrew; Klassen, Tara Leah

    2016-01-01

    Nuclear hormone receptors (NHRs) are transcription factors that regulate numerous physiological and developmental processes and represent important drug targets. NHR-49, an ortholog of Hepatocyte Nuclear Factor 4 (HNF4), has emerged as a key regulator of lipid metabolism and life span in the nematode worm Caenorhabditis elegans. However, many aspects of NHR-49 function remain poorly understood, including whether and how it regulates individual sets of target genes and whether its activity is modulated by a ligand. A recent study identified three gain-of-function (gof) missense mutations in nhr-49 (nhr-49(et7), nhr-49(et8), and nhr-49(et13), respectively). These substitutions all affect the ligand-binding domain (LBD), which is critical for ligand binding and protein interactions. Thus, these alleles provide an opportunity to test how three specific residues contribute to NHR-49 dependent gene regulation. We used computational and molecular methods to delineate how these mutations alter NHR-49 activity. We find that despite originating from a screen favoring the activation of specific NHR-49 targets, all three gof alleles cause broad upregulation of NHR-49 regulated genes. Interestingly, nhr-49(et7) and nhr-49(et8) exclusively affect nhr-49 dependent activation, whereas the nhr-49(et13) surprisingly affects both nhr-49 mediated activation and repression, implicating the affected residue as dually important. We also observed phenotypic non-equivalence of these alleles, as they unexpectedly caused a long, short, and normal life span, respectively. Mechanistically, the gof substitutions altered neither protein interactions with the repressive partner NHR-66 and the coactivator MDT-15 nor the subcellular localization or expression of NHR-49. However, in silico structural modeling revealed that NHR-49 likely interacts with small molecule ligands and that the missense mutations might alter ligand binding, providing a possible explanation for increased NHR-49 activity. In

  9. Gain-of-Function Alleles in Caenorhabditis elegans Nuclear Hormone Receptor nhr-49 Are Functionally Distinct.

    PubMed

    Lee, Kayoung; Goh, Grace Ying Shyen; Wong, Marcus Andrew; Klassen, Tara Leah; Taubert, Stefan

    2016-01-01

    Nuclear hormone receptors (NHRs) are transcription factors that regulate numerous physiological and developmental processes and represent important drug targets. NHR-49, an ortholog of Hepatocyte Nuclear Factor 4 (HNF4), has emerged as a key regulator of lipid metabolism and life span in the nematode worm Caenorhabditis elegans. However, many aspects of NHR-49 function remain poorly understood, including whether and how it regulates individual sets of target genes and whether its activity is modulated by a ligand. A recent study identified three gain-of-function (gof) missense mutations in nhr-49 (nhr-49(et7), nhr-49(et8), and nhr-49(et13), respectively). These substitutions all affect the ligand-binding domain (LBD), which is critical for ligand binding and protein interactions. Thus, these alleles provide an opportunity to test how three specific residues contribute to NHR-49 dependent gene regulation. We used computational and molecular methods to delineate how these mutations alter NHR-49 activity. We find that despite originating from a screen favoring the activation of specific NHR-49 targets, all three gof alleles cause broad upregulation of NHR-49 regulated genes. Interestingly, nhr-49(et7) and nhr-49(et8) exclusively affect nhr-49 dependent activation, whereas the nhr-49(et13) surprisingly affects both nhr-49 mediated activation and repression, implicating the affected residue as dually important. We also observed phenotypic non-equivalence of these alleles, as they unexpectedly caused a long, short, and normal life span, respectively. Mechanistically, the gof substitutions altered neither protein interactions with the repressive partner NHR-66 and the coactivator MDT-15 nor the subcellular localization or expression of NHR-49. However, in silico structural modeling revealed that NHR-49 likely interacts with small molecule ligands and that the missense mutations might alter ligand binding, providing a possible explanation for increased NHR-49 activity. In

  10. Systematic theoretical investigation of the zero-field splitting in Gd(III) complexes: Wave function and density functional approaches

    NASA Astrophysics Data System (ADS)

    Khan, Shehryar; Kubica-Misztal, Aleksandra; Kruk, Danuta; Kowalewski, Jozef; Odelius, Michael

    2015-01-01

    The zero-field splitting (ZFS) of the electronic ground state in paramagnetic ions is a sensitive probe of the variations in the electronic and molecular structure with an impact on fields ranging from fundamental physical chemistry to medical applications. A detailed analysis of the ZFS in a series of symmetric Gd(III) complexes is presented in order to establish the applicability and accuracy of computational methods using multiconfigurational complete-active-space self-consistent field wave functions and of density functional theory calculations. The various computational schemes are then applied to larger complexes Gd(III)DOTA(H2O)-, Gd(III)DTPA(H2O)2-, and Gd(III)(H2O)83+ in order to analyze how the theoretical results compare to experimentally derived parameters. In contrast to approximations based on density functional theory, the multiconfigurational methods produce results for the ZFS of Gd(III) complexes on the correct order of magnitude.

  11. Crustal thickness estimation in the Maule Region (Chile) from P-wave receiver function analysis

    NASA Astrophysics Data System (ADS)

    Dannowski, A.; Grevemeyer, I.; Thorwart, M. M.; Rabbel, W.; Flueh, E. R.

    2010-12-01

    A temporary passive seismic network of 31 broad-band stations was deployed in the region around Talca and Constitución between 35°S to 36°S latitude and 71°W to 72.5°W longitude. The network was operated between March and October 2008. Thus, we recorded data prior the magnitude Mw=8.8 earthquake of 27 February 2010 at a latitude of the major slip and surface uplift. The experiment was conducted to address fundamental questions on deformation processes, crustal and mantle structures, and fluid flow. We present first results of a teleseismic P receiver function study that covers the coastal region and reaches to the Andes. The aim is to determine the structure and thickness of the continental crust and constrain the state of hydration of the mantle wedge. The P-wave receiver function technique requires large teleseismic earthquakes from different distances and backazimuths. A few percent of the incident P-wave energy from a teleseismic event will be converted into S-wave (Ps) at significant and relatively sharp discontinuities beneath the station. A small converted S phase is produced that arrives at the station within the P wave coda directly after the direct P-wave. The converted Ps phase and their crustal multiples contain information about crustal properties, such as Moho depth and the crustal vp/vs ratio. We use teleseismic events with magnitudes mb > 5.5 at epicentral distances between 30° and 95° to examine P-to-S converted seismic phases. Our preliminary results provide new information about the thickness of the continental crust beneath the coastal region in Central Chile. At most of the stations we observed significant energy from P to S converted waves between 4 and 5 s after the direct P-wave within a positive phase interpreted as the Moho, occurring at 35 to 40 km. Thus, the great Maule earthquake of 27 February 2010 nucleated up-dip of the continental Moho and hence ruptured along a plate contact between subducted sediments and continental crust

  12. Acute effect of alcohol intake on sine-wave Cartesian and polar contrast sensitivity functions.

    PubMed

    Cavalcanti-Galdino, M K; Silva, J A da; Mendes, L C; Santos, N A da; Simas, M L B

    2014-04-01

    The aim of this study was to assess contrast sensitivity for angular frequency stimuli as well as for sine-wave gratings in adults under the effect of acute ingestion of alcohol. We measured the contrast sensitivity function (CSF) for gratings of 0.25, 1.25, 2.5, 4, 10, and 20 cycles per degree of visual angle (cpd) as well as for angular frequency stimuli of 1, 2, 4, 24, 48, and 96 cycles/360°. Twenty adults free of ocular diseases, with normal or corrected-to-normal visual acuity, and no history of alcoholism were enrolled in two experimental groups: 1) no alcohol intake (control group) and 2) alcohol ingestion (experimental group). The average concentration of alcohol in the experimental group was set to about 0.08%. We used a paradigm involving a forced-choice method. Maximum sensitivity to contrast for sine-wave gratings in the two groups occurred at 4 cpd sine-wave gratings and at 24 and 48 cycles/360° for angular frequency stimuli. Significant changes in contrast sensitivity were observed after alcohol intake compared with the control condition at spatial frequency of 4 cpd and 1, 24, and 48 cycles/360° for angular frequency stimuli. Alcohol intake seems to affect the processing of sine-wave gratings at maximum sensitivity and at the low and high frequency ends for angular frequency stimuli, both under photopic luminance conditions.

  13. Plane-wave superpositions defined by orthonormal scalar functions on two- and three-dimensional manifolds

    PubMed

    Borzdov

    2000-04-01

    Vector plane-wave superpositions defined by a given set of orthonormal scalar functions on a two- or three-dimensional manifold-beam manifold-are treated. We present a technique for composing orthonormal beams and some other specific types of fields such as three-dimensional standing waves, moving and evolving whirls. It can be used for any linear fields, in particular, electromagnetic fields in complex media and elastic fields in crystals. For electromagnetic waves in an isotropic medium or free space, unique families of exact solutions of Maxwell's equations are obtained. The solutions are illustrated by calculating fields, energy densities, and energy fluxes of beams defined by the spherical harmonics. It is shown that the obtained results can be used for a transition from the plane-wave approximation to more accurate models of real incident beams in free-space techniques for characterizing complex media. A mathematical formalism convenient for the treatment of various beams defined by the spherical harmonics is presented.

  14. Acute effect of alcohol intake on sine-wave Cartesian and polar contrast sensitivity functions

    PubMed Central

    Cavalcanti-Galdino, M.K.; da Silva, J.A.; Mendes, L.C.; dos Santos, N.A.; Simas, M.L.B.

    2014-01-01

    The aim of this study was to assess contrast sensitivity for angular frequency stimuli as well as for sine-wave gratings in adults under the effect of acute ingestion of alcohol. We measured the contrast sensitivity function (CSF) for gratings of 0.25, 1.25, 2.5, 4, 10, and 20 cycles per degree of visual angle (cpd) as well as for angular frequency stimuli of 1, 2, 4, 24, 48, and 96 cycles/360°. Twenty adults free of ocular diseases, with normal or corrected-to-normal visual acuity, and no history of alcoholism were enrolled in two experimental groups: 1) no alcohol intake (control group) and 2) alcohol ingestion (experimental group). The average concentration of alcohol in the experimental group was set to about 0.08%. We used a paradigm involving a forced-choice method. Maximum sensitivity to contrast for sine-wave gratings in the two groups occurred at 4 cpd sine-wave gratings and at 24 and 48 cycles/360° for angular frequency stimuli. Significant changes in contrast sensitivity were observed after alcohol intake compared with the control condition at spatial frequency of 4 cpd and 1, 24, and 48 cycles/360° for angular frequency stimuli. Alcohol intake seems to affect the processing of sine-wave gratings at maximum sensitivity and at the low and high frequency ends for angular frequency stimuli, both under photopic luminance conditions. PMID:24676473

  15. Acoustic wave propagation in continuous functionally graded plates: an extension of the Legendre polynomial approach.

    PubMed

    Lefebvre, J E; Zhang, V; Gazalet, J; Gryba, T; Sadaune, V

    2001-09-01

    The propagation of guided waves in continuous functionally graded plates is studied by using Legendre polynomials. Dispersion curves, and power and field profiles are easily obtained. Our computer program is validated by comparing our results against other calculations from the literature. Numerical results are also given for a graded semiconductor plate. It is felt that the present method could be of quite practical interest in waveguiding engineering, non-destructive testing of functionally graded materials (FGMs) to identify the best inspection strategies, or by means of a numerical inversion algorithm to determine through-thickness gradients in material parameters.

  16. Explicit Solution of Nonlinear ZK-BBM Wave Equation Using Exp-Function Method

    NASA Astrophysics Data System (ADS)

    Mahmoudi, J.; Tolou, N.; Khatami, I.; Barari, A.; Ganji, D. D.

    This study is devoted to studying the (2+1)-dimensional ZK-BBM (Zakharov-Kuznetsov-Benjamin-Bona-Mahony) wave equation in an analytical solution. The analysis is based on the implementation a new method, called Exp-function method. The obtained results from the proposed approximate solution have been verified with those obtained by the extended tanh method. It shows that the obtained results of these methods are the same; while Exp-function method, with the help of symbolic computation, provides a powerful mathematical tool for solving nonlinear partial differential equations of engineering problems in the terms of accuracy and efficiency.

  17. Molecular Characterization and Functional Analysis of Annulate Lamellae Pore Complexes in Nuclear Transport in Mammalian Cells

    PubMed Central

    Raghunayakula, Sarita; Subramonian, Divya; Dasso, Mary; Kumar, Rita; Zhang, Xiang-Dong

    2015-01-01

    Annulate lamellae are cytoplasmic organelles containing stacked sheets of membranes embedded with pore complexes. These cytoplasmic pore complexes at annulate lamellae are morphologically similar to nuclear pore complexes at the nuclear envelope. Although annulate lamellae has been observed in nearly all types of cells, their biological functions are still largely unknown. Here we show that SUMO1-modification of the Ran GTPase-activating protein RanGAP1 not only target RanGAP1 to its known sites at nuclear pore complexes but also to annulate lamellae pore complexes through interactions with the Ran-binding protein RanBP2 and the SUMO-conjugating enzyme Ubc9 in mammalian cells. Furthermore, upregulation of annulate lamellae, which decreases the number of nuclear pore complexes and concurrently increases that of annulate lamellae pore complexes, causes a redistribution of nuclear transport receptors including importin α/β and the exportin CRM1 from nuclear pore complexes to annulate lamellae pore complexes and also reduces the rates of nuclear import and export. Moreover, our results reveal that importin α/β-mediated import complexes initially accumulate at annulate lamellae pore complexes upon the activation of nuclear import and subsequently disassociate for nuclear import through nuclear pore complexes in cells with upregulation of annulate lamellae. Lastly, CRM1-mediated export complexes are concentrated at both nuclear pore complexes and annulate lamellae pore complexes when the disassembly of these export complexes is inhibited by transient expression of a Ran GTPase mutant arrested in its GTP-bound form, suggesting that RanGAP1/RanBP2-activated RanGTP hydrolysis at these pore complexes is required for the dissociation of the export complexes. Hence, our findings provide a foundation for further investigation of how upregulation of annulate lamellae decreases the rates of nuclear transport and also for elucidation of the biological significance of the

  18. Molecular Characterization and Functional Analysis of Annulate Lamellae Pore Complexes in Nuclear Transport in Mammalian Cells.

    PubMed

    Raghunayakula, Sarita; Subramonian, Divya; Dasso, Mary; Kumar, Rita; Zhang, Xiang-Dong

    2015-01-01

    Annulate lamellae are cytoplasmic organelles containing stacked sheets of membranes embedded with pore complexes. These cytoplasmic pore complexes at annulate lamellae are morphologically similar to nuclear pore complexes at the nuclear envelope. Although annulate lamellae has been observed in nearly all types of cells, their biological functions are still largely unknown. Here we show that SUMO1-modification of the Ran GTPase-activating protein RanGAP1 not only target RanGAP1 to its known sites at nuclear pore complexes but also to annulate lamellae pore complexes through interactions with the Ran-binding protein RanBP2 and the SUMO-conjugating enzyme Ubc9 in mammalian cells. Furthermore, upregulation of annulate lamellae, which decreases the number of nuclear pore complexes and concurrently increases that of annulate lamellae pore complexes, causes a redistribution of nuclear transport receptors including importin α/β and the exportin CRM1 from nuclear pore complexes to annulate lamellae pore complexes and also reduces the rates of nuclear import and export. Moreover, our results reveal that importin α/β-mediated import complexes initially accumulate at annulate lamellae pore complexes upon the activation of nuclear import and subsequently disassociate for nuclear import through nuclear pore complexes in cells with upregulation of annulate lamellae. Lastly, CRM1-mediated export complexes are concentrated at both nuclear pore complexes and annulate lamellae pore complexes when the disassembly of these export complexes is inhibited by transient expression of a Ran GTPase mutant arrested in its GTP-bound form, suggesting that RanGAP1/RanBP2-activated RanGTP hydrolysis at these pore complexes is required for the dissociation of the export complexes. Hence, our findings provide a foundation for further investigation of how upregulation of annulate lamellae decreases the rates of nuclear transport and also for elucidation of the biological significance of the

  19. 7Be(p,(gamma))8B S-factor from Ab Initio No-Core Shell Model Wave Functions

    SciTech Connect

    Navratil, P; Bertulani, C A; Caurier, E

    2005-12-02

    Nuclear structure of {sup 7}Be, {sup 8}B and {sup 7,8}Li is studied within the ab initio no-core shell model (NCSM). Starting from high-precision nucleon-nucleon (NN) interactions, wave functions of {sup 7}Be and {sup 8}B bound states are obtained in basis spaces up to 10 h bar{Omega} and used to calculate channel cluster form factors (overlap integrals) of the {sup 8}B ground state with {sup 7}Be+p. Due to the use of the harmonic oscillator (HO) basis, the overlap integrals have incorrect asymptotic properties. We fix this problem in two alternative ways. First, by a Woods-Saxon (WS) potential solution fit to the interior of the NCSM overlap integrals. Second, by a direct matching with the Whittaker function. The corrected overlap integrals are then used for the {sup 7}Be(p,{gamma}){sup 8}B S-factor calculation. We study the convergence of the S-factor with respect to the NCSM HO frequency and the model space size. Our S-factor results are in agreement with recent direct measurement data. We also test the spectroscopic factors and the corrected overlap integrals from the NCSM in describing the momentum distributions in knockout reactions with {sup 8}B projectiles. A good agreement with the available experimental data is also found, attesting the overall consistency of the calculations.

  20. Structural and functional adaptations of the mammalian nuclear envelope to meet the meiotic requirements

    PubMed Central

    Link, Jana; Jahn, Daniel; Alsheimer, Manfred

    2015-01-01

    Numerous studies in the past years provided definite evidence that the nuclear envelope is much more than just a simple barrier. It rather constitutes a multifunctional platform combining structural and dynamic features to fulfill many fundamental functions such as chromatin organization, regulation of transcription, signaling, but also structural duties like maintaining general nuclear architecture and shape. One additional and, without doubt, highly impressive aspect is the recently identified key function of selected nuclear envelope components in driving meiotic chromosome dynamics, which in turn is essential for accurate recombination and segregation of the homologous chromosomes. Here, we summarize the recent work identifying new key players in meiotic telomere attachment and movement and discuss the latest advances in our understanding of the actual function of the meiotic nuclear envelope. PMID:25674669

  1. Fragment-based configuration interaction wave function to calculate environmental effect on excited states in proteins and solutions

    NASA Astrophysics Data System (ADS)

    Hasegawa, Jun-ya

    2013-05-01

    Solvatochromic effect in proteins and solutions was described by a configuration interaction singles (CIS) wave function with fragment-localized molecular orbitals. Coarse-grained analysis indicated that the CI wave function can be described by local excitations and charge-transfer (CT) excitations between the chromophore and the environment. We developed an atomic-orbital direct runcated CIS code and applied the excited states of retinal chromophore in bacteriorhodopsin and MeOH environments, and those of s-trans-acrolein in water. Number of excitation operators was significantly reduced by eliminating the CT excitations between the environmental fragments. The truncated CIS wave functions reproduced the original excitation energies very well.

  2. Model wave functions for the collective modes and the magnetoroton theory of the fractional quantum Hall effect.

    PubMed

    Yang, Bo; Hu, Zi-Xiang; Papić, Z; Haldane, F D M

    2012-06-22

    We construct model wave functions for the collective modes of fractional quantum Hall systems. The wave functions are expressed in terms of symmetric polynomials characterized by a root partition that defines a "squeezed" basis, and show excellent agreement with exact diagonalization results for finite systems. In the long wavelength limit, we prove that the model wave functions are identical to those predicted by the single-mode approximation, leading to intriguing interpretations of the collective modes from the perspective of the ground-state guiding-center metric.

  3. Pluronic F127 nanomicelles engineered with nuclear localized functionality for targeted drug delivery.

    PubMed

    Li, Yong-Yong; Li, Lan; Dong, Hai-Qing; Cai, Xiao-Jun; Ren, Tian-Bin

    2013-07-01

    PKKKRKV (Pro-Lys-Lys-Lys-Arg-Lys-Val, PV7), a seven amino acid peptide, has emerged as one of the primary nuclear localization signals that can be targeted into cell nucleus via the nuclear import machinery. Taking advantage of chemical diversity and biological activities of this short peptide sequence, in this study, Pluronic F127 nanomicelles engineered with nuclear localized functionality were successfully developed for intracellular drug delivery. These nanomicelles with the size ~100 nm were self-assembled from F127 polymer that was flanked with two PV7 sequences at its both terminal ends. Hydrophobic anticancer drug doxorubicin (DOX) with inherent fluorescence was chosen as the model drug, which was found to be efficiently encapsulated into nanomicelles with the encapsulation efficiency at 72.68%. In comparison with the non-functionalized namomicelles, the microscopic observation reveals that PV7 functionalized nanomicelles display a higher cellular uptake, especially into the nucleus of HepG2 cells, due to the nuclear localization signal effects. Both cytotoxicity and apoptosis studies show that the DOX-loaded nanomicelles were more potent than drug nanomicelles without nuclear targeting functionality. It was thus concluded that PV7 functionalized nanomicelles could be a potentially alternative vehicle for nuclear targeting drug delivery.

  4. Chronic effects of focused electrohydraulic shock waves on renal function and hypertension.

    PubMed

    Begun, F P; Knoll, C E; Gottlieb, M; Lawson, R K

    1991-03-01

    The chronic effects of focused electrohydraulic shock waves were studied in a minipig model. Fifteen animals underwent a unilateral nephrectomy and compensatory renal hypertrophy was allowed to take place over a minimum of six months. Baseline studies were then carried out consisting of 1) serum creatinine, blood urea nitrogen, and plasma renin levels 2) intra-arterial blood pressure measurement and 3) 3H-inulin clearance. Ten of the animals then underwent 8 shockwave treatments (2500 shocks per treatment), alternately to the upper and lower pole of the kidney, at two weeks intervals. A total of 20,000 shock waves were administered to each minipig over the four month period. The five control pigs underwent sham procedures. The renal function and blood pressure evaluations were then repeated. No significant decrease in renal function was noted in the experimental animals when compared to the controls. In addition, renin mediated hypertension was not observed despite the excessive number of total shock waves delivered to the kidney.

  5. Crustal structure of Nigeria and Southern Ghana, West Africa from P-wave receiver functions

    NASA Astrophysics Data System (ADS)

    Akpan, Ofonime; Nyblade, Andrew; Okereke, Chiedu; Oden, Michael; Emry, Erica; Julià, Jordi

    2016-04-01

    We report new estimates of crustal thickness (Moho depth), Poisson's ratio and shear-wave velocities for eleven broadband seismological stations in Nigeria and Ghana. Data used for this study came from teleseismic earthquakes recorded at epicentral distances between 30° and 95° and with moment magnitudes greater than or equal to 5.5. P-wave receiver functions were modeled using the Moho Ps arrival times, H-k stacking, and joint inversion of receiver functions and Rayleigh wave group velocities. The average crustal thickness of the stations in the Neoproterozoic basement complex of Nigeria is 36 km, and 23 km for the stations in the Cretaceous Benue Trough. The crustal structure of the Paleoproterozoic Birimian Terrain, and Neoproterozoic Dahomeyan Terrain and Togo Structural Unit in southern Ghana is similar, with an average Moho depth of 44 km. Poisson's ratios for all the stations range from 0.24 to 0.26, indicating a bulk felsic to intermediate crustal composition. The crustal structure of the basement complex in Nigeria is similar to the average crustal structure of Neoproterozoic terrains in other parts of Africa, but the two Neoproterozoic terrains in southern Ghana have a thicker crust with a thick mafic lower crust, ranging in thickness from 12 to 17 km. Both the thicker crust and thick mafic lower crustal section are consistent with many Precambrian suture zones, and thus we suggest that both features are relict from the collisional event during the formation of Gondwana.

  6. Time Reversal Mirrors and Cross Correlation Functions in Acoustic Wave Propagation

    NASA Astrophysics Data System (ADS)

    Fishman, Louis; Jonsson, B. Lars G.; de Hoop, Maarten V.

    2009-03-01

    In time reversal acoustics (TRA), a signal is recorded by an array of transducers, time reversed, and then retransmitted into the configuration. The retransmitted signal propagates back through the same medium and retrofocuses on the source that generated the signal. If the transducer array is a single, planar (flat) surface, then this configuration is referred to as a planar, one-sided, time reversal mirror (TRM). In signal processing, for example, in active-source seismic interferometry, the measurement of the wave field at two distinct receivers, generated by a common source, is considered. Cross correlating these two observations and integrating the result over the sources yield the cross correlation function (CCF). Adopting the TRM experiments as the basic starting point and identifying the kinematically correct correspondences, it is established that the associated CCF signal processing constructions follow in a specific, infinite recording time limit. This perspective also provides for a natural rationale for selecting the Green's function components in the TRM and CCF expressions. For a planar, one-sided, TRM experiment and the corresponding CCF signal processing construction, in a three-dimensional homogeneous medium, the exact expressions are explicitly calculated, and the connecting limiting relationship verified. Finally, the TRM and CCF results are understood in terms of the underlying, governing, two-way wave equation, its corresponding time reversal invariance (TRI) symmetry, and the absence of TRI symmetry in the associated one-way wave equations, highlighting the role played by the evanescent modal contributions.

  7. Synthesis of quantum chromodynamics and nuclear physics

    SciTech Connect

    Brodsky, S.J.; Lepage, G.P.

    1980-08-01

    The asymptotic freedom behavior of quantum chromodynamics allows the rigorous calculation of hadronic and nuclear amplitudes at short distances by perturbative methods. The implications of QCD for large-momentum-transfer nuclear form factors and scattering processes, as well as for the structure of nuclear wave functions and nuclear interactions at short distances, are discussed. The necessity for color-polarized internal nuclear states is also discussed. 6 figures.

  8. Transient neuronal coactivations embedded in globally propagating waves underlie resting-state functional connectivity.

    PubMed

    Matsui, Teppei; Murakami, Tomonari; Ohki, Kenichi

    2016-06-01

    Resting-state functional connectivity (FC), which measures the correlation of spontaneous hemodynamic signals (HemoS) between brain areas, is widely used to study brain networks noninvasively. It is commonly assumed that spatial patterns of HemoS-based FC (Hemo-FC) reflect large-scale dynamics of underlying neuronal activity. To date, studies of spontaneous neuronal activity cataloged heterogeneous types of events ranging from waves of activity spanning the entire neocortex to flash-like activations of a set of anatomically connected cortical areas. However, it remains unclear how these various types of large-scale dynamics are interrelated. More importantly, whether each type of large-scale dynamics contributes to Hemo-FC has not been explored. Here, we addressed these questions by simultaneously monitoring neuronal calcium signals (CaS) and HemoS in the entire neocortex of mice at high spatiotemporal resolution. We found a significant relationship between two seemingly different types of large-scale spontaneous neuronal activity-namely, global waves propagating across the neocortex and transient coactivations among cortical areas sharing high FC. Different sets of cortical areas, sharing high FC within each set, were coactivated at different timings of the propagating global waves, suggesting that spatial information of cortical network characterized by FC was embedded in the phase of the global waves. Furthermore, we confirmed that such transient coactivations in CaS were indeed converted into spatially similar coactivations in HemoS and were necessary to sustain the spatial structure of Hemo-FC. These results explain how global waves of spontaneous neuronal activity propagating across large-scale cortical network contribute to Hemo-FC in the resting state. PMID:27185944

  9. Transient neuronal coactivations embedded in globally propagating waves underlie resting-state functional connectivity

    PubMed Central

    Matsui, Teppei; Murakami, Tomonari; Ohki, Kenichi

    2016-01-01

    Resting-state functional connectivity (FC), which measures the correlation of spontaneous hemodynamic signals (HemoS) between brain areas, is widely used to study brain networks noninvasively. It is commonly assumed that spatial patterns of HemoS-based FC (Hemo-FC) reflect large-scale dynamics of underlying neuronal activity. To date, studies of spontaneous neuronal activity cataloged heterogeneous types of events ranging from waves of activity spanning the entire neocortex to flash-like activations of a set of anatomically connected cortical areas. However, it remains unclear how these various types of large-scale dynamics are interrelated. More importantly, whether each type of large-scale dynamics contributes to Hemo-FC has not been explored. Here, we addressed these questions by simultaneously monitoring neuronal calcium signals (CaS) and HemoS in the entire neocortex of mice at high spatiotemporal resolution. We found a significant relationship between two seemingly different types of large-scale spontaneous neuronal activity—namely, global waves propagating across the neocortex and transient coactivations among cortical areas sharing high FC. Different sets of cortical areas, sharing high FC within each set, were coactivated at different timings of the propagating global waves, suggesting that spatial information of cortical network characterized by FC was embedded in the phase of the global waves. Furthermore, we confirmed that such transient coactivations in CaS were indeed converted into spatially similar coactivations in HemoS and were necessary to sustain the spatial structure of Hemo-FC. These results explain how global waves of spontaneous neuronal activity propagating across large-scale cortical network contribute to Hemo-FC in the resting state. PMID:27185944

  10. A Nuclear Export Signal and Phosphorylation Regulate Dok1 Subcellular Localization and Functions

    PubMed Central

    Niu, Yamei; Roy, François; Saltel, Frédéric; Andrieu-Soler, Charlotte; Dong, Wen; Chantegrel, Anne-Lise; Accardi, Rosita; Thépot, Amélie; Foiselle, Nadège; Tommasino, Massimo; Jurdic, Pierre; Sylla, Bakary S.

    2006-01-01

    Dok1 is believed to be a mainly cytoplasmic adaptor protein which down-regulates mitogen-activated protein kinase activation, inhibits cell proliferation and transformation, and promotes cell spreading and cell migration. Here we show that Dok1 shuttles between the nucleus and cytoplasm. Treatment of cells with leptomycin B (LMB), a specific inhibitor of the nuclear export signal (NES)-dependent receptor CRM1, causes nuclear accumulation of Dok1. We have identified a functional NES (348LLKAKLTDPKED359) that plays a major role in the cytoplasmic localization of Dok1. Src-induced tyrosine phosphorylation prevented the LMB-mediated nuclear accumulation of Dok1. Dok1 cytoplasmic localization is also dependent on IKKβ. Serum starvation or maintaining cells in suspension favor Dok1 nuclear localization, while serum stimulation, exposure to growth factor, or cell adhesion to a substrate induce cytoplasmic localization. Functionally, nuclear NES-mutant Dok1 had impaired ability to inhibit cell proliferation and to promote cell spreading and cell motility. Taken together, our results provide the first evidence that Dok1 transits through the nucleus and is actively exported into the cytoplasm by the CRM1 nuclear export system. Nuclear export modulated by external stimuli and phosphorylation may be a mechanism by which Dok1 is maintained in the cytoplasm and membrane, thus regulating its signaling functions. PMID:16705178

  11. Yields of Soviet underground nuclear explosions at Novaya Zemlya, 1964-1976, from seismic body and surface waves.

    PubMed

    Sykes, L R; Wiggins, G C

    1986-01-01

    Surface and body wave magnitudes are determined for 15 U.S.S.R. underground nuclear weapons tests conducted at Novaya Zemlya between 1964 and 1976 and are used to estimate yields. These events include the largest underground explosions detonated by the Soviet Union. A histogram of body wave magnitude (m(b)) values indicates a clustering of explosions at a few specific yields. The most pronounced cluster consists of six explosions of yield near 500 kilotons. Several of these seem to be tests of warheads for major strategic systems that became operational in the late 1970s. The largest Soviet underground explosion is estimated to have a yield of 3500 +/- 600 kilotons, somewhat smaller than the yield of the largest U.S. underground test. A preliminary estimation of the significance of tectonic release is made by measuring the amplitude of Love waves. The bias in m(b) for Novaya Zemlya relative to the Nevada test site is about 0.35, nearly identical to that of the eastern Kazakhstan test site relative to Nevada.

  12. Progress at the interface of wave-function and density-functional theories

    SciTech Connect

    Gidopoulos, Nikitas I.

    2011-04-15

    The Kohn-Sham (KS) potential of density-functional theory (DFT) emerges as the minimizing effective potential in a variational scheme that does not involve fixing the unknown single-electron density. Using Rayleigh Schroedinger (RS) perturbation theory (PT), we construct ab initio approximations for the energy difference, the minimization of which determines the KS potential directly - thereby bypassing DFT's traditional algorithm to search for the density that minimizes the total energy. From second-order RS PT, we obtain variationally stable energy differences to be minimized, solving the severe problem of variational collapse of orbital-dependent exchange-correlation functionals based on second-order RS PT.

  13. Spectroscopic properties of nuclear skyrme energy density functionals.

    PubMed

    Tarpanov, D; Dobaczewski, J; Toivanen, J; Carlsson, B G

    2014-12-19

    We address the question of how to improve the agreement between theoretical nuclear single-particle energies (SPEs) and observations. Empirically, in doubly magic nuclei, the SPEs can be deduced from spectroscopic properties of odd nuclei that have one more or one less neutron or proton. Theoretically, bare SPEs, before being confronted with observations, must be corrected for the effects of the particle vibration coupling (PVC). In the present work, we determine the PVC corrections in a fully self-consistent way. Then, we adjust the SPEs, with PVC corrections included, to empirical data. In this way, the agreement with observations, on average, improves; nevertheless, large discrepancies still remain. We conclude that the main source of disagreement is still in the underlying mean fields, and not in including or neglecting the PVC corrections.

  14. Lower solar chromosphere-corona transition region. II - Wave pressure effects for a specific form of the heating function

    NASA Technical Reports Server (NTRS)

    Woods, D. Tod; Holzer, Thomas E.; Macgregor, Keith B.

    1990-01-01

    Lower transition region models with a balance between mechanical heating and radiative losses are expanded to include wave pressure effects. The models are used to study the simple damping length form of the heating function. The results are compared to the results obtained by Woods et al. (1990) for solutions in the lower transition region. The results suggest that a mixture of fast-mode and slow-mode waves may provide the appropriate heating mechanism in the lower transition region, with the decline in effective vertical wave speed caused by the refraction and eventual total reflection of the fast-mode wave resulting from the decreasing atmospheric density.

  15. [Influence of the brain functional state evoked by spreading depression wave propagation on the recurrent waves properties].

    PubMed

    Roshchina, G Ia; Koroleva, V I; Davydov, V I

    2012-01-01

    EEG aftereffects of spreading depression waves were studied in waking rabbits in chronic experiments by spectral coherence analysis. Experiments were divided in two groups: early (from the first to the third-fourth experiments) and late (fifth-tenth experiments). During the early experimental series, unilateral persistent EEG changes consisting in an increase in the delta- and beta-band power with a simultaneous depression of the gamma-band activity were observed in the ipsilateral to SD hemisphere. In addition, interhemispheric coherence between symmetrical cortical points decreased. During the late experimental series, a generalized bilateral increase in the power of the delta and beta activity was demonstrated with a rise in coherence in the beta band. This generalized activity occurred cyclically and was distinct during a long period of time (2-3 hours) after propagation of a single SD wave. Such kind of cyclical activity blocked the propagation of subsequent SD waves in the neocortex of a waking rabbit and decreased the probability of recurrent wave origin up to a complete cessation of wave generation. Thus, a cortical SD wave provoked the appearance of synchronized beta oscillations in the EEG, which in turn actively influenced the properties of recurrent waves. PMID:23227733

  16. The wave function and minimum uncertainty function of the bound quadratic Hamiltonian system

    NASA Technical Reports Server (NTRS)

    Yeon, Kyu Hwang; Um, Chung IN; George, T. F.

    1994-01-01

    The bound quadratic Hamiltonian system is analyzed explicitly on the basis of quantum mechanics. We have derived the invariant quantity with an auxiliary equation as the classical equation of motion. With the use of this invariant it can be determined whether or not the system is bound. In bound system we have evaluated the exact eigenfunction and minimum uncertainty function through unitary transformation.

  17. Functional Study of Genes Essential for Autogamy and Nuclear Reorganization in Paramecium▿§

    PubMed Central

    Nowak, Jacek K.; Gromadka, Robert; Juszczuk, Marek; Jerka-Dziadosz, Maria; Maliszewska, Kamila; Mucchielli, Marie-Hélène; Gout, Jean-François; Arnaiz, Olivier; Agier, Nicolas; Tang, Thomas; Aggerbeck, Lawrence P.; Cohen, Jean; Delacroix, Hervé; Sperling, Linda; Herbert, Christopher J.; Zagulski, Marek; Bétermier, Mireille

    2011-01-01

    Like all ciliates, Paramecium tetraurelia is a unicellular eukaryote that harbors two kinds of nuclei within its cytoplasm. At each sexual cycle, a new somatic macronucleus (MAC) develops from the germ line micronucleus (MIC) through a sequence of complex events, which includes meiosis, karyogamy, and assembly of the MAC genome from MIC sequences. The latter process involves developmentally programmed genome rearrangements controlled by noncoding RNAs and a specialized RNA interference machinery. We describe our first attempts to identify genes and biological processes that contribute to the progression of the sexual cycle. Given the high percentage of unknown genes annotated in the P. tetraurelia genome, we applied a global strategy to monitor gene expression profiles during autogamy, a self-fertilization process. We focused this pilot study on the genes carried by the largest somatic chromosome and designed dedicated DNA arrays covering 484 genes from this chromosome (1.2% of all genes annotated in the genome). Transcriptome analysis revealed four major patterns of gene expression, including two successive waves of gene induction. Functional analysis of 15 upregulated genes revealed four that are essential for vegetative growth, one of which is involved in the maintenance of MAC integrity and another in cell division or membrane trafficking. Two additional genes, encoding a MIC-specific protein and a putative RNA helicase localizing to the old and then to the new MAC, are specifically required during sexual processes. Our work provides a proof of principle that genes essential for meiosis and nuclear reorganization can be uncovered following genome-wide transcriptome analysis. PMID:21257794

  18. Functional study of genes essential for autogamy and nuclear reorganization in Paramecium.

    PubMed

    Nowak, Jacek K; Gromadka, Robert; Juszczuk, Marek; Jerka-Dziadosz, Maria; Maliszewska, Kamila; Mucchielli, Marie-Hélène; Gout, Jean-François; Arnaiz, Olivier; Agier, Nicolas; Tang, Thomas; Aggerbeck, Lawrence P; Cohen, Jean; Delacroix, Hervé; Sperling, Linda; Herbert, Christopher J; Zagulski, Marek; Bétermier, Mireille

    2011-03-01

    Like all ciliates, Paramecium tetraurelia is a unicellular eukaryote that harbors two kinds of nuclei within its cytoplasm. At each sexual cycle, a new somatic macronucleus (MAC) develops from the germ line micronucleus (MIC) through a sequence of complex events, which includes meiosis, karyogamy, and assembly of the MAC genome from MIC sequences. The latter process involves developmentally programmed genome rearrangements controlled by noncoding RNAs and a specialized RNA interference machinery. We describe our first attempts to identify genes and biological processes that contribute to the progression of the sexual cycle. Given the high percentage of unknown genes annotated in the P. tetraurelia genome, we applied a global strategy to monitor gene expression profiles during autogamy, a self-fertilization process. We focused this pilot study on the genes carried by the largest somatic chromosome and designed dedicated DNA arrays covering 484 genes from this chromosome (1.2% of all genes annotated in the genome). Transcriptome analysis revealed four major patterns of gene expression, including two successive waves of gene induction. Functional analysis of 15 upregulated genes revealed four that are essential for vegetative growth, one of which is involved in the maintenance of MAC integrity and another in cell division or membrane trafficking. Two additional genes, encoding a MIC-specific protein and a putative RNA helicase localizing to the old and then to the new MAC, are specifically required during sexual processes. Our work provides a proof of principle that genes essential for meiosis and nuclear reorganization can be uncovered following genome-wide transcriptome analysis. PMID:21257794

  19. Boundary condition determined wave functions for the ground states of one- and two-electron homonuclear molecules

    NASA Astrophysics Data System (ADS)

    Patil, S. H.; Tang, K. T.; Toennies, J. P.

    1999-10-01

    Simple analytical wave functions satisfying appropriate boundary conditions are constructed for the ground states of one-and two-electron homonuclear molecules. Both the asymptotic condition when one electron is far away and the cusp condition when the electron coalesces with a nucleus are satisfied by the proposed wave function. For H2+, the resulting wave function is almost identical to the Guillemin-Zener wave function which is known to give very good energies. For the two electron systems H2 and He2++, the additional electron-electron cusp condition is rigorously accounted for by a simple analytic correlation function which has the correct behavior not only for r12→0 and r12→∞ but also for R→0 and R→∞, where r12 is the interelectronic distance and R, the internuclear distance. Energies obtained from these simple wave functions agree within 2×10-3 a.u. with the results of the most sophisticated variational calculations for all R and for all systems studied. This demonstrates that rather simple physical considerations can be used to derive very accurate wave functions for simple molecules thereby avoiding laborious numerical variational calculations.

  20. Covariant energy density functionals: The assessment of global performance across the nuclear landscape

    SciTech Connect

    Afanasjev, A. V.

    2015-10-15

    The assessment of the global performance of the state-of-the-art covariant energy density functionals and related theoretical uncertainties in the description of ground state observables has recently been performed. Based on these results, the correlations between global description of binding energies and nuclear matter properties of covariant energy density functionals have been studied in this contribution.

  1. Calculation of Monte Carlo importance functions for use in nuclear-well logging calculations

    SciTech Connect

    Soran, P.D.; McKeon, D.C.; Booth, T.E.; Schlumberger Well Services, Houston, TX; Los Alamos National Lab., NM )

    1989-07-01

    Importance sampling is essential to the timely solution of Monte Carlo nuclear-logging computer simulations. Achieving minimum variance (maximum precision) of a response in minimum computation time is one criteria for the choice of an importance function. Various methods for calculating importance functions will be presented, new methods investigated, and comparisons with porosity and density tools will be shown. 5 refs., 1 tab.

  2. Theoretical investigation of impurity scattering limited mobility in quantum wells: The influence of wave-function modeling

    NASA Astrophysics Data System (ADS)

    Thobel, J. L.; Baudry, L.; Dessenne, F.; Charef, M.; Fauquembergue, R.

    1993-01-01

    A theoretical investigation of the impurity scattering limited mobility in quantum wells is presented. Emphasis is put on the influence of wave-function modeling, since the literature about this topic is contradictory. For an infinite square well, Dirac and sine wave functions yield the same evolutions of the mobility with temperature, carrier density, and well width. These results contradict those published by Lee [J. Appl. Phys. 54, 6995 (1983)], which are shown to be wrong. Self-consistent wave functions have also been used to compute the mobility in finite barrier height quantum wells. A strong influence of the presence of electrons inside the doped barrier has been demonstrated. It is suggested that, although simple models are useful for qualitative discussions, accurate evaluation of mobility requires a reasonably realistic description of wave functions.

  3. The Hem protein mediates neuronal migration by inhibiting WAVE degradation and functions opposite of Abelson tyrosine kinase

    PubMed Central

    Zhu, Zengrong; Bhat, Krishna Moorthi

    2011-01-01

    In the nervous system, neurons form in different regions, then they migrate and occupy specific positions. We have previously shown that RP2/sib, a well-studied neuronal pair in the Drosophila ventral nerve cord (VNC), has a complex migration route. Here, we show that the Hem protein, via the WAVE complex, regulates migration of GMC-1 and its progeny RP2 neuron. In Hem or WAVE mutants, RP2 neuron either abnormally migrates, crossing the midline from one hemisegment to the contralateral hemisegment, or does not migrate at al and fail to send out its axon projection. We report that Hem regulates neuronal migration through stabilizing WAVE. Since Hem and WAVE normally form a complex, our data argues that in the absence of Hem, WAVE, which is presumably no longer in a complex, becomes susceptible to degradation. We also find that Abelson Tyrosine kinase affects RP2 migration in a similar manner as Hem and WAVE, and appears to operate via WAVE. However, while Abl negatively regulates the levels of WAVE, it regulates migration via regulating the activity of WAVE. Our results also show that during the degradation of WAVE, Hem function is opposite to that of and downstream of Abl. PMID:21726548

  4. Constraining the Lithospheric Structure of the Central Andes Using P- and S- wave Receiver Functions

    NASA Astrophysics Data System (ADS)

    Ryan, J. C.; Beck, S. L.; Zandt, G.; Wagner, L. S.; Minaya, E.; Tavera, H.

    2014-12-01

    The Central Andean Plateau (CAP) has elevations in excess of 3 km, and is part of the Andean Cordillera that resulted in part from shortening along the western edge of South America as it was compressed between the subducting Nazca plate and underthrusting Brazilian cratonic lithosphere. We calculated P- and S-wave receiver functions for the Central Andean Uplift and Geodynamics of High Topography (CAUGHT) temporary deployment of broadband seismometers in the Bolivian orocline (12°-20°S) region to investigate crustal thickness and lithospheric structure. Migration of the receiver functions is done using common conversion point (CCP) stacks through a 3D shear velocity model from ambient noise tomography (Ward et al., 2013). The P- and S-wave receiver functions provide similar estimates of the depth to Moho under the CAP. Crustal thicknesses include 60-65 km thick crust underneath the Bolivian Altiplano, crust that varies from ~70 km to ~50 km underneath the Eastern Cordillera and Interandean zone, and thins to 50 to 40 km crust in the Subandes and the edge of the foreland. The variable crustal thickness of the Eastern Cordillera and Interandean zone ranges from >70 km associated with the Los Frailes volcanic field at 19°-20°S to ~55 km beneath the 6 km peaks of the Cordillera Real at ~16°S. From our S-wave receiver functions, that have no multiples that can interfere with deeper structure, we also identify structures below the Moho. Along a SW-NE line that runs near La Paz where we have our highest station density, the S-wave CCP receiver-function stacks show a strong negative polarity arrival at a depth of ~120 km from the eastern edge of the Altiplano to the Subandean zone. We suggest this may be a good candidate for the base of the CAP lithosphere. In addition, above this depth the mantle is strongly layered, suggesting that there is not a simple high velocity mantle lithosphere associated with the continental lithosphere underthrusting the Andean orogen

  5. Subspace accelerated inexact Newton method for large scale wave functions calculations in Density Functional Theory

    SciTech Connect

    Fattebert, J

    2008-07-29

    We describe an iterative algorithm to solve electronic structure problems in Density Functional Theory. The approach is presented as a Subspace Accelerated Inexact Newton (SAIN) solver for the non-linear Kohn-Sham equations. It is related to a class of iterative algorithms known as RMM-DIIS in the electronic structure community. The method is illustrated with examples of real applications using a finite difference discretization and multigrid preconditioning.

  6. General comparison of functional imaging in nuclear medicine with other modalities

    SciTech Connect

    Adam, W.E.

    1987-01-01

    New (noninvasive) diagnostic procedures in medicine (ultrasound (US), digital subtraction angiography (DSA), computed tomography (CT), nuclear magnetic resonance (NMR)) create a need for a review of the clinical utility of functional imaging in nuclear medicine. A general approach that is valid for all imaging procedures is not possible. For this reason, an individual assessment for each class of functional imaging is necessary, taking into account the complexity and sophistication of the various imaging procedures. This leads to a hierarchical order: first order functional imaging: imaging of organ motion (heart, lungs, blood); second order functional imaging: imaging of excretory function (kidneys, liver); and third and fourth order functional imaging: imaging of metabolism (except excretory function). First order functional imaging is possible fundamentally, although with limitations in detail, by all modalities. Second order functional imaging is not possible with US. Third and fourth order functional imaging is a privilege of nuclear medicine alone. Up to now, NMR has not proven clinically useful to produce metabolic images in its true sense. First and second order functional imaging of nonradioactive procedures face severe disadvantages, including difficulties in performing stress investigations, which are essential for coronary heart disease, limited capability for true quantitative information (eg, kidney clearance in mL/min), side effects of contrast media and paramagnetic substances, and high costs. 58 references.

  7. Manual of functions, assignments, and responsibilities for nuclear safety: Revision 2

    SciTech Connect

    Not Available

    1994-10-15

    The FAR Manual is a convenient easy-to-use collection of the functions, assignments, and responsibilities (FARs) of DOE nuclear safety personnel. Current DOE directives, including Orders, Secretary of Energy Notices, and other assorted policy memoranda, are the source of this information and form the basis of the FAR Manual. Today, the majority of FARs for DOE personnel are contained in DOE`s nuclear safety Orders. As these Orders are converted to rules in the Code of Federal Regulations, the FAR Manual will become the sole source for information relating to the functions, assignments, responsibilities of DOE nuclear safety personnel. The FAR Manual identifies DOE directives that relate to nuclear safety and the specific DOE personnel who are responsible for implementing them. The manual includes only FARs that have been extracted from active directives that have been approved in accordance with the procedures contained in DOE Order 1321.1B.

  8. Binding Energy of d¹º Transition Metals to Alkenes By Wave Function Theory and Density Functional Theory

    SciTech Connect

    Averkiev, Boris B; Zhao, Yan; Truhlar, Donald G

    2010-06-01

    The structures of Pd(PH₃)₂ and Pt(PH₃)₂ complexes with ethene and conjugated CnHn+2 systems (n=4, 6, 8, and 10) were studied. Their binding energies were calculated using both wave function theory (WFT) and density functional theory (DFT). Previously it was reported that the binding energy of the alkene to the transition metal does not depend strongly on the size of the conjugated CnHn+2 ligand, but that DFT methods systematically underestimate the binding energy more and more significantly as the size of the conjugated system is increased. Our results show that recently developed density functionals predict the binding energy for these systems much more accurately. New benchmark calculations carried out by the coupled cluster method based on Brueckner orbitals with double excitations and a quasiperturbative treatment of connected triple excitations (BCCD(T)) with a very large basis set agree even better with the DFT predictions than do the previous best estimates. The mean unsigned error in absolute and relative binding energies of the alkene ligands to Pd(PH₃)₂ is 2.5 kcal/mol for the ωB97 and M06 density functionals and 2.9 kcal/mol for the M06-L functional. Adding molecular mechanical damped dispersion yields even smaller mean unsigned errors: 1.3 kcal/mol for the M06-D functional, 1.5 kcal/mol for M06- L-D, and 1.8 kcal/mol for B97-D and ωB97X-D. The new functionals also lead to improved accuracy for the analogous Pt complexes. These results show that recently developed density functionals may be very useful for studying catalytic systems involving Pd d¹º centers and alkenes.

  9. Virial theorem for an inhomogeneous medium, boundary conditions for the wave functions, and stress tensor in quantum statistics.

    PubMed

    Bobrov, V B; Trigger, S A; van Heijst, G J F; Schram, P P J M

    2010-07-01

    On the basis of the stationary Schrödinger equation, the virial theorem in an inhomogeneous external field for the canonical ensemble is proved. It is shown that the difference in the form of virial theorem is conditioned by the value of the wave-function derivative on the surface of the volume, surrounding the system under consideration. The stress tensor in such a system is determined by the average values of the wave-function space derivatives.

  10. Virial theorem for an inhomogeneous medium, boundary conditions for the wave functions, and stress tensor in quantum statistics.

    PubMed

    Bobrov, V B; Trigger, S A; van Heijst, G J F; Schram, P P J M

    2010-07-01

    On the basis of the stationary Schrödinger equation, the virial theorem in an inhomogeneous external field for the canonical ensemble is proved. It is shown that the difference in the form of virial theorem is conditioned by the value of the wave-function derivative on the surface of the volume, surrounding the system under consideration. The stress tensor in such a system is determined by the average values of the wave-function space derivatives. PMID:20866550

  11. Role of the bound-state wave function in capture-loss rates: Slow proton in an electron gas

    SciTech Connect

    Alducin, M.; Nagy, I.

    2003-07-01

    Capture and loss rates for protons moving in an electron gas are calculated using many-body perturbation theory. The role of the form of the bound-state wave function for weakly bound states around the proton is analyzed. We find significant differences (up to a factor of 2 higher) in the values of Auger capture and loss rates when using Hulthen-type instead of hydrogenic wave functions. Its relevance in stopping power is briefly discussed.

  12. ATOMIC AND MOLECULAR PHYSICS: Calculation of Energy and Other Properties of Muonic Helium Atom Using Boundary Conditions of Wave Function

    NASA Astrophysics Data System (ADS)

    Rezaei, B.

    2010-09-01

    The properties of muonic helium atom (4He+2μ-e-) in ground state are considered. In this work, the energy and average distance between particles have been obtained using a wave function, which satisfies boundary conditions. It is shown that the obtained energy are very close to the values calculated by others. But the small differences of the expectation values of r2n are due to the incorporated boundary conditions in proposed wave function and are expected.

  13. Regularized quadratic cost-function for integrating wave-front gradient fields.

    PubMed

    Villa, Jesús; Rodríguez, Gustavo; Ivanov, Rumen; González, Efrén

    2016-05-15

    From the Bayesian regularization theory we derive a quadratic cost-function for integrating wave-front gradient fields. In the proposed cost-function, the term of conditional distribution uses a central-differences model to make the estimated function well consistent with the observed gradient field. As will be shown, the results obtained with the central-differences model are superior to the results obtained with the backward-differences model, commonly used in other integration techniques. As a regularization term we use an isotropic first-order differences Markov Random-Field model, which acts as a low-pass filter reducing the errors caused by the noise. We present simulated and real experiments of the proposal applied in the Foucault test, obtaining good results.

  14. US Nuclear Regulatory Commission organization charts and functional statements

    SciTech Connect

    1996-08-19

    This document is the organizational chart for the US NRC. It contains organizational structure and functional statements for the following: (1) the Commission, (2) committees and boards, (3) staff offices, (4) office of the Inspector General, (5) executive director for operations, (6) program offices, and (7) regional offices.

  15. Nuclear Receptor Expression and Function in Human Lung Cancer Pathogenesis

    PubMed Central

    Kim, Jihye; Sato, Mitsuo; Choi, Jong-Whan; Kim, Hyun-Won; Yeh, Byung-Il; Larsen, Jill E.; Minna, John D.; Cha, Jeong-Heon; Jeong, Yangsik

    2015-01-01

    Lung cancer is caused by combinations of diverse genetic mutations. Here, to understand the relevance of nuclear receptors (NRs) in the oncogene-associated lung cancer pathogenesis, we investigated the expression profile of the entire 48 NR members by using QPCR analysis in a panel of human bronchial epithelial cells (HBECs) that included precancerous and tumorigenic HBECs harboring oncogenic K-rasV12 and/or p53 alterations. The analysis of the profile revealed that oncogenic alterations accompanied transcriptional changes in the expression of 19 NRs in precancerous HBECs and 15 NRs according to the malignant progression of HBECs. Amongst these, peroxisome proliferator-activated receptor gamma (PPARγ), a NR chosen as a proof-of-principle study, showed increased expression in precancerous HBECs, which was surprisingly reversed when these HBECs acquired full in vivo tumorigenicity. Notably, PPARγ activation by thiazolidinedione (TZD) treatment reversed the increased expression of pro-inflammatory cyclooxygenase 2 (COX2) in precancerous HBECs. In fully tumorigenic HBECs with inducible expression of PPARγ, TZD treatments inhibited tumor cell growth, clonogenecity, and cell migration in a PPARγ-sumoylation dependent manner. Mechanistically, the sumoylation of liganded-PPARγ decreased COX2 expression and increased 15-hydroxyprostaglandin dehydrogenase expression. This suggests that ligand-mediated sumoylation of PPARγ plays an important role in lung cancer pathogenesis by modulating prostaglandin metabolism. PMID:26244663

  16. Nuclear dependence of structure functions in the shadowing region of deep inelastic scattering

    SciTech Connect

    Berger, E.L.; Qiu, Jianwei

    1988-07-27

    A discussion of nuclear shadowing in deep inelastic lepton scattering is presented. We show that the parton recombination model suggests that shadowing should begin to occur at larger values of Bjorken x as A increases. This expectation as well as that of weak dependence on Q/sup 2/, and the trend of the x dependence of the shadowing phenomenon are consistent with recent data. Shadowing at small x is combined with nuclear bound state effects, responsible for nuclear dependence at larger x, to provide description of the A dependence of the structure function for the entire range of x. 21 refs., 5 figs.

  17. P-wave receiver function study of crustal structure in Scandinavia

    NASA Astrophysics Data System (ADS)

    Makushkina, Anna; Thybo, Hans; Vinnik, Lev; Youssof, Mohammad

    2016-04-01

    In this study we present preliminary results on the structure of the continental crust in northern Scandinavia. The research area consists of three geologically different domains: the Archaean Domain in the north-east, the Palaeoproterozoic Svecofennian Domain in the east and the Caledonian Deformed Domain in the west (Gorbatschev and Bogdanova,1993). We present results based on data collected by 60 seismic stations during 2-4 years of deployment in the ScanArray experiment, which is an international collaboration between Scandinavian, German and British universities. We use the receiver function (RF) technique in the LQT ray-oriented coordinate system (Vinnik, 1977). Receiver function analysis has rather high vertical resolution of the depth to seismic discontinuities which cause transformation between P- and S-waves. The whole dataset is uniformly filtered and deconvolved records are stacked using appropriate moveout corrections. We have used events with a magnitude ≥ 5.5 Mw, with epicentral distances range from 30° to 95°. The technique allows us to constrain crustal structure and determine the Moho depth around stations by analyzing the PS converted phases generated at discontinuities in particular the Moho. We present preliminary interpretation of P-wave RF analysis in terms of the complex tectonic and geodynamic evolution of the Baltic Shield. Further studies will include joint P and S receiver function analysis of this area as well as investigations of the upper mantle. References: Vinnik L.P. (1977) Detection of waves converted from P to SV in the mantle. Phys. Earth planet. Inter. 15, 39-45 Gorbatschev R., Bogdanova, S. (1993) Frontiers in the Baltic Shield. Precambrian Res. 64, 3-21

  18. Interaction of a plane progressive sound wave with a functionally graded spherical shell.

    PubMed

    Hasheminejad, Seyyed M; Maleki, M

    2006-12-01

    An exact analysis is carried out to study interaction of a time-harmonic plane progressive sound field with a radially inhomogeneous thick-walled elastic isotropic spherical shell suspended in and filled with compressible ideal fluid mediums. Using the laminated approximation method, a modal state equation with variable coefficients is set up in terms of appropriate displacement and stress functions and their spherical harmonics. Taylor's expansion theorem is then employed to obtain the solution to the modal state equation ultimately leading to calculation of a global transfer matrix. Numerical example is given for a water-submerged/air-filled Aluminum/Zirconia elastic spherical sandwich shell containing a functionally graded interlayer and subjected to an incident progressive plane sound wave. The mechanical properties of the interlayer are assumed to vary smoothly and continuously across the thickness with the change of volume concentration of its constituents. The effect of incident wave frequency, thickness and compositional gradient of the interlayer on the form function amplitude and the average radiation force acting on the composite shell are examined. Limiting cases are considered and fair agreements with well-known solutions are established.

  19. Small molecule modulation of nuclear receptor conformational dynamics: implications for function and drug discovery.

    PubMed

    Kojetin, Douglas J; Burris, Thomas P

    2013-01-01

    Nuclear receptors are targets for a wide range of ligands, both natural and synthetic, that regulate their activity and provide a means to pharmacologically modulate the receptor. Recent emphasis in the nuclear receptor field has focused on selective nuclear receptor modulators, which can display graded transcriptional responses and tissue selective pharmacological responses that deviate from the prototypical agonist or antagonist. Understanding the molecular mechanism of action of these selective modulators will provide significant insight toward the development of the next generation of modulators. Although most nuclear receptor structural studies have primarily focused on obtaining ligand-receptor cocrystal structures, recent studies implicate an important role for protein dynamics in the mechanism of action of nuclear receptor ligands. Here we review nuclear receptor studies reporting how ligands modulate the conformational dynamics of the nuclear receptor ligand-binding domain (LBD). A particular emphasis is placed on protein NMR and hydrogen/deuterium exchange (HDX) techniques and how they provide complementary information that, when combined with crystallography, provide detailed insight into the function of nuclear receptors.

  20. Big bounce as the scattering of the wave function at the big crunch

    SciTech Connect

    Amemiya, Fumitoshi; Koike, Tatsuhiko

    2010-11-15

    A gauge-invariant quantum theory of the Friedmann-Robertson-Walker (FRW) universe with dust is studied in terms of the Ashtekar variables. We use the reduced phase space quantization which has following advantages: (i) fundamental variables are all gauge invariant, (ii) there exists a physical time evolution of gauge-invariant quantities, so that the problem of time is absent, and (iii) the reduced phase space can be quantized in the same manner as in ordinary quantum mechanics. In the FRW model, the dynamical components of the Ashtekar variables are given by a single quantity p and its conjugate momentum, where p is related to the scale factor a as a{proportional_to}{radical}(|p|) and its sign gives the orientation of triads. We solve a scattering problem in terms of ingoing and outgoing energy eigenstates. We show that the incident wave is reflected in rate 1/4 and transmitted in rate 3/4 at the classical singularity p=0. Analyzing the dynamics of a wave packet, we show that the classical initial singularity is replaced by a big bounce in quantum theory. A possible interpretation of the result is that the wave function of the universe has been in a superposition of states representing right-handed and left-handed systems before the big bounce.

  1. Effect of a functionally graded soft middle layer on Love waves propagating in layered piezoelectric systems.

    PubMed

    Ben Salah, Issam; Ben Amor, Morched; Ben Ghozlen, Mohamed Hédi

    2015-08-01

    Numerical examples for wave propagation in a three-layer structure have been investigated for both electrically open and shorted cases. The first order differential equations are solved by both methods ODE and Stiffness matrix. The solutions are used to study the effects of thickness and gradient coefficient of soft middle layer on the phase velocity and on the electromechanical coupling factor. We demonstrate that the electromechanical coupling factor is substantially increased when the equivalent thickness is in the order of the wavelength. The effects of gradient coefficients are plotted for the first mode when electrical and mechanical gradient variations are applied separately and altogether. The obtained deviations in comparison with the ungraded homogenous film are plotted with respect to the dimensionless wavenumber. The impact related to the gradient coefficient of the soft middle layer, on the mechanical displacement and the Poynting vector, is carried out. The numericals results are illustrated by a set of appropriate curves related to various profiles. The obtained results set guidelines not only for the design of high-performance surface acoustic wave (SAW) devices, but also for the measurement of material properties in a functionally graded piezoelectric layered system using Love waves.

  2. Seismic anisotropy indicators in Western Tibet: Shear wave splitting and receiver function analysis

    NASA Astrophysics Data System (ADS)

    Levin, Vadim; Roecker, Steven; Graham, Peter; Hosseini, Afsaneh

    2008-12-01

    Using recently collected data from western Tibet we find significant variation in the strength, vertical distribution and attributes of seismic wave speed anisotropy, constrained through a joint application of teleseismic shear wave splitting techniques and a study of P-S mode-converted waves (receiver functions). We find that the crust of Tibet is characterized by anisotropy on the order of 5%-15% concentrated in layers 10-20 km in thickness, and with relatively steep (30°-45° from the vertical) slow symmetry axes of anisotropy. These layers contribute no more than 0.3 s to the birefringence in teleseismic shear waves, significantly smaller than splitting in many of the observations, and much smaller than birefringence predicted by models developed through group inversions of shear-wave recordings. Consequently, we interpret models constrained with shear-wave observations in terms of structures in the upper mantle. Near the Altyn-Tagh fault our data favor a two-layer model, with the upper layer fast polarization approximately aligned with the strike of the fault. Near the Karakorum fault our data are well fit with a single layer of relatively modest (~ 0.5 s delay) anisotropy. Fast polarization in this layer is ~ 60°NE, similar to that of the lower layer in the model for the Altyn Tagh fault site. Assuming that layers of similar anisotropic properties at these two sites reflect a common cause, our finding favors a scenario where Indian lithosphere under-thrusts a significant fraction of the plateau. Data from a site at the southern edge of the Tarim basin appear to be inconsistent with a common model of seismic anisotropy distribution. We suspect that thick sediments underlying the site significantly distort observed waveforms. Our ability to resolve features of anisotropic structure in the crust and the upper mantle of western Tibet is limited by the small amount of data collected in a 6 month observing period. We stress the importance of future teleseismic

  3. Extracting elements of molecular structure from the all-particle wave function

    SciTech Connect

    Matyus, Edit; Reiher, Markus; Hutter, Juerg; Mueller-Herold, Ulrich

    2011-11-28

    Structural information is extracted from the all-particle (non-Born-Oppenheimer) wave function by calculating radial and angular densities derived from n-particle densities. As a result, one- and two-dimensional motifs of classical molecular structure can be recognized in quantum mechanics. Numerical examples are presented for three- (H{sup -}, Ps{sup -}, H{sub 2}{sup +}), four- (Ps{sub 2}, H{sub 2}), and five-particle (H{sub 2}D{sup +}) systems.

  4. Imaging dynamical chiral-symmetry breaking: pion wave function on the light front.

    PubMed

    Chang, Lei; Cloët, I C; Cobos-Martinez, J J; Roberts, C D; Schmidt, S M; Tandy, P C

    2013-03-29

    We project onto the light front the pion's Poincaré-covariant Bethe-Salpeter wave function obtained using two different approximations to the kernels of quantum chromodynamics' Dyson-Schwinger equations. At an hadronic scale, both computed results are concave and significantly broader than the asymptotic distribution amplitude, φ(π)(asy)(x)=6x(1-x); e.g., the integral of φ(π)(x)/φ(π)(asy)(x) is 1.8 using the simplest kernel and 1.5 with the more sophisticated kernel. Independent of the kernels, the emergent phenomenon of dynamical chiral-symmetry breaking is responsible for hardening the amplitude.

  5. Models of spontaneous wave function collapse: what they are, and how they can be tested

    NASA Astrophysics Data System (ADS)

    Bassi, Angelo

    2016-03-01

    There are few proposals, which explicitly allow for (experimentally testable) deviations from standard quantum theory. Collapse models are among the most-widely studied proposals of this kind. The Schrödinger equation is modified by including nonlinear and stochastic terms, which describe the collapse of the wave function in space. These spontaneous collapses are rare for microscopic systems, hence their quantum properties are left almost unaltered. On the other hand, collapses become more and more frequent, the larger the object, to the point that macroscopic superpositions are rapidly suppressed. The main features of collapse models will be reviewed. An update of the most promising experimental tests will be presented.

  6. Analytical solutions of electromagnetic waves in focusing and magnifying cylindrical hyperlenses: Green's function approach.

    PubMed

    Tapsanit, Piyawath; Yamashita, Masatsugu; Otani, Chiko

    2014-01-13

    The analytical solutions of the electromagnetic waves in the inhomogeneous cylindrical hyperlens (CH) comprising concentric cylindrical layers (CCLs) with multiple point sources located either outside the structure in the focusing process or inside the core in the magnifying process are obtained by means of Green's function analysis. The solutions are consistent with FDTD simulation in both processes. The sub-wavelength focal spot λ/16.26 from two point sources with wavelength 465 nm is demonstrated in the CH made by alternating silver and silica CCLs. Our solutions are expected to be the efficient tools for designing the sub-wavelength focusing and imaging cylindrical hyperlens.

  7. Spin transition in the fractional quantum Hall regime: Effect of the extent of the wave function

    NASA Astrophysics Data System (ADS)

    Vanovsky, V. V.; Khrapai, V. S.; Shashkin, A. A.; Pellegrini, V.; Sorba, L.; Biasiol, G.

    2013-02-01

    Using a magnetocapacitance technique, we determine the magnetic field of the spin transition, B*, at filling factor ν=2/3 in the two-dimensional electron system in GaAs/AlGaAs heterojunctions. The field B* is found to decrease appreciably as the wave function extent controlled by back gate voltage is increased. Our calculations show that the contributions to the shift of B* from the change of the Coulomb energy and the g factor change due to nonparabolicity are approximately the same. The observed relative shift of B* is described with no fitting parameters.

  8. Observations in Quantum Mechanics and the "COLLAPSE of the Wave FUNCTION"

    NASA Astrophysics Data System (ADS)

    Peierls, Rudolf

    The paper analyses the measurement process on the basis of the interpretation of the wave function, or more generally the density matrix, as describing our knowledge of the system observed. There has to be a division between the system, as described, and the observer, but usually there is wide flexibility in placing this division within the chain of correlations involved in the measurement. This chain must, in particular, involve three steps: (1) a correlation between the quantity to be observed and the apparatus, (2) and uncontrolled interaction which leads to the loss of information required by the uncertainty principle, and (3) the recognition of the result by the observer.

  9. Symmetric tensor decomposition description of fermionic many-body wave functions.

    PubMed

    Uemura, Wataru; Sugino, Osamu

    2012-12-21

    The configuration interaction (CI) is a versatile wave function theory for interacting fermions, but it involves an extremely long CI series. Using a symmetric tensor decomposition method, we convert the CI series into a compact and numerically tractable form. The converted series encompasses the Hartree-Fock state in the first term and rapidly converges to the full-CI state, as numerically tested by using small molecules. Provided that the length of the symmetric tensor decomposition CI series grows only moderately with the increasing complexity of the system, the new method will serve as one of the alternative variational methods to achieve full CI with enhanced practicability. PMID:23368456

  10. Finite-size instabilities in nuclear energy density functionals

    SciTech Connect

    Hellemans, V.; Heenen, P.-H.; Bender, M.

    2012-10-20

    The systematic lack of convergence of self-consistent mean-field calculations with certain parameterizations of the Skyrme energy density functional has been attributed to the appearance of finite-size instabilities. In this contribution, we investigate what happens at the instability associated with the C{sub 0}{sup {Delta}s}s{sub 0} Dot-Operator {Delta}s{sub 0} term in a high-spin state of the superdeformed band in {sup 194}Hg.

  11. Functionalized ultra-porous titania nanofiber membranes as nuclear waste separation and sequestration scaffolds for nuclear fuels recycle.

    SciTech Connect

    Liu, Haiqing; Bell, Nelson S; Cipiti, Benjamin B.; Lewis, Tom Goslee,; Sava, Dorina Florentina; Nenoff, Tina Maria

    2012-09-01

    Advanced nuclear fuel cycle concept is interested in reducing separations to a simplified, one-step process if possible. This will benefit from the development of a one-step universal getter and sequestration material so as a simplified, universal waste form was proposed in this project. We have developed a technique combining a modified sol-gel chemistry and electrospinning for producing ultra-porous ceramic nanofiber membranes with controllable diameters and porous structures as the separation/sequestration materials. These ceramic nanofiber materials have been determined to have high porosity, permeability, loading capacity, and stability in extreme conditions. These porous fiber membranes were functionalized with silver nanoparticles and nanocrystal metal organic frameworks (MOFs) to introduce specific sites to capture gas species that are released during spent nuclear fuel reprocessing. Encapsulation into a durable waste form of ceramic composition was also demonstrated.

  12. Wave-function inspired density functional applied to the H2/{{\\rm{H}}}_{2}^{+} challenge

    NASA Astrophysics Data System (ADS)

    Zhang, Igor Ying; Rinke, Patrick; Scheffler, Matthias

    2016-07-01

    We start from the Bethe–Goldstone equation (BGE) to derive a simple orbital-dependent correlation functional—BGE2—which terminates the BGE expansion at the second-order, but retains the self-consistent coupling of electron-pair correlations. We demonstrate that BGE2 is size consistent and one-electron ‘self-correlation’ free. The electron-pair correlation coupling ensures the correct H2 dissociation limit and gives a finite correlation energy for any system even if it has a no energy gap. BGE2 provides a good description of both H2 and {{{H}}}2+ dissociation, which is regarded as a great challenge in density functional theory (DFT). We illustrate the behavior of BGE2 analytically by considering H2 in a minimal basis. Our analysis shows that BGE2 captures essential features of the adiabatic connection path that current state-of-the-art DFT approximations do not.

  13. Effect of extracorporeal shock wave therapy on the shoulder joint functional status of patients with calcific tendinitis

    PubMed Central

    Kim, Eun-Kyung; Kwak, Kwang-Il

    2016-01-01

    [Purpose] This study aimed to analyze the effect of extracorporeal shock wave therapy on the shoulder function of patients with calcific tendinitis through a 12-week follow-up. [Subjects and Methods] A total of 34 patients with calcific tendinitis participated in this study. In the extracorporeal shock wave therapy group, 18 patients received 6-week extracorporeal shock wave therapy and 12-week follow-up. The Constant-Murley scale was used to evaluate shoulder joint function. [Results] Analysis of variance showed a significant difference between the measurement periods. The independent t-test showed significant differences between the groups at 2, 6, and 12 weeks. [Conclusion] Extracorporeal shock wave therapy can be an effective treatment method for calcific tendinitis that affects patients’ shoulder function. PMID:27799684

  14. Manipulation and visualization of two-dimensional phase distribution of vibrational wave functions in solid parahydrogen crystal

    NASA Astrophysics Data System (ADS)

    Katsuki, Hiroyuki; Ohmori, Kenzo; Horie, Toru; Yanagi, Hisao; Ohmori, Kenji

    2015-09-01

    Solid parahydrogen, which is known to have an exceptionally long vibrational coherence lifetime as a molecular solid, offers an ideal testbed to perform coherent control experiments in the condensed phase. Here we demonstrate the spatial manipulation and visualization of the relative phase of vibrational wave functions in solid parahydrogen. Spatial distribution of vibrational excitation is generated by femtosecond impulsive Raman excitation. It is shown that the imprinted initial phase can be manipulated by wave-front modulation of the excitation laser pulses with a spatial light modulator. An interferometric measurement is used to convert the spatial phase distribution of the vibrational wave functions to the amplitude distribution. We have confirmed that the spatial profile of the scattered anti-Stokes pulse reveals the spatial phase distribution of the wave functions. The read-and-write scheme demonstrated in this experiment is applicable to a broad range of Raman memory systems accessible by Λ -type transitions.

  15. Identification of a functional nuclear localization signal within the human USP22 protein

    SciTech Connect

    Xiong, Jianjun; Wang, Yaqin; Gong, Zhen; Liu, Jianyun; Li, Weidong

    2014-06-20

    Highlights: • USP22 was accumulated in nucleus. • We identified of a functional USP22 NLS. • The KRRK amino acid residues are indispensable in NLS. • The KRRK motif is conserved in USP22 homologues. - Abstract: Ubiquitin-specific processing enzyme 22 (USP22), a member of the deubiquitinase family, is over-expressed in most human cancers and has been implicated in tumorigenesis. Because it is an enzymatic subunit of the human SAGA transcriptional cofactor, USP22 deubiquitylates histone H2A and H2B in the nucleus, thus participating in gene regulation and cell-cycle progression. However, the mechanisms regulating its nuclear translocation have not yet been elucidated. It was here demonstrated that USP22 is imported into the nucleus through a mechanism mediated by nuclear localization signal (NLS). The bipartite NLS sequence KRELELLKHNPKRRKIT (aa152–168), was identified as the functional NLS for its nuclear localization. Furthermore, a short cluster of basic amino acid residues KRRK within this bipartite NLS plays the primary role in nuclear localization and is evolutionarily conserved in USP22 homologues. In the present study, a functional NLS and the minimal sequences required for the active targeting of USP22 to the nucleus were identified. These findings may provide a molecular basis for the mechanism underlying USP22 nuclear trafficking and function.

  16. New Kohn-Sham density functional based on microscopic nuclear and neutron matter equations of state

    NASA Astrophysics Data System (ADS)

    Baldo, M.; Robledo, L. M.; Schuck, P.; Viñas, X.

    2013-06-01

    A new version of the Barcelona-Catania-Paris energy functional is applied to a study of nuclear masses and other properties. The functional is largely based on calculated ab initio nuclear and neutron matter equations of state. Compared to typical Skyrme functionals having 10-12 parameters apart from spin-orbit and pairing terms, the new functional has only 2 or 3 adjusted parameters, fine tuning the nuclear matter binding energy and fixing the surface energy of finite nuclei. An energy rms value of 1.58 MeV is obtained from a fit of these three parameters to the 579 measured masses reported in the Audi and Wapstra [Nucl. Phys. ANUPABL0375-947410.1016/j.nuclphysa.2003.11.003 729, 337 (2003)] compilation. This rms value compares favorably with the one obtained using other successful mean field theories, which range from 1.5 to 3.0 MeV for optimized Skyrme functionals and 0.7 to 3.0 for the Gogny functionals. The other properties that have been calculated and compared to experiment are nuclear radii, the giant monopole resonance, and spontaneous fission lifetimes.

  17. DNA--a molecule in search of additional functions: recipient of pool wave emissions? A hypothesis.

    PubMed

    Doerfler, Walter

    2010-09-01

    Almost the entire nucleotide sequence of human DNA is functionally unaccounted for, although large parts of the human genome are transcribed. The genes, as defined by current molecular biology, comprise about 1.5-2% of the DNA molecule. It is proposed that DNA encodes additional, hitherto unrecognized functions. In this discussion, the total information inside and outside the universe we live in is termed the pool or the sum total, known or unknown, of all laws, matter, energy, concepts and events. In a hypothetical model, a Gedankenexperiment, it is suggested that the total of all information emits pool waves of an unknown physical nature. They could be related to black energy or have completely different qualities. The designation pool waves should not imply any similarity to electromagnetism. Further, DNA is suggested to have the capability of interacting with the pool waves and thus permit humans - to some partly genetically determined and yet very limited extent - to perceive information from the pool. Pool emissions might be one of the forces that have been instrumental in and are still driving evolution from simple oligonucleotides to DNA with ever more complex recipient capacities. It will be a major challenge for researchers in the field to unravel these and less hypothetical undetected coding principles in DNA. It is uncertain whether the current trend to search the available DNA sequences with ever more refined computer technology on the basis of our present understanding of biology will detect unknown coding systems. For molecular medicine, research into the genetics of the most common human diseases could profit from the elucidation of presently still ephemeral codes in human DNA. Young scientists with a proven record of original research deserve support for the pursuit of unconventional ideas. This concept of granting priorities will be of the utmost importance in advancing the field beyond current concepts in molecular biology.

  18. System and Method for Measuring the Transfer Function of a Guided Wave Device

    NASA Technical Reports Server (NTRS)

    Froggatt, Mark E. (Inventor); Erdogan, Turan (Inventor)

    2002-01-01

    A method/system are provided for measuring the NxN scalar transfer function elements for an N-port guided wave device. Optical energy of a selected wavelength is generated at a source and directed along N reference optical paths having N reference path lengths. Each reference optical path terminates in one of N detectors such that N reference signals are produced at the N detectors. The reference signals are indicative of amplitude, phase and frequency of the optical energy carried along the N reference optical paths. The optical energy from the source is also directed to the N-ports of the guided wave device and then on to each of the N detectors such that N measurement optical paths are defined between the source and each of the N detectors. A portion of the optical energy is modified in terms of at least one of the amplitude and phase to produce N modified signals at each of the N detectors. At each of the N detectors, each of the N modified signals is combined with a corresponding one of the N reference signals to produce corresponding N combined signals at each of the N detectors. A total of N(sup 2) measurement signals are generated by the N detectors. Each of the N(sup 2) measurement signals is sampled at a wave number increment (Delta)k so that N(sup 2) sampled signals are produced. The NxN transfer function elements are generated using the N(sup 2) sampled signals. Reference and measurement path length constraints are defined such that the N combined signals at each of the N detectors are spatially separated from one another in the time domain.

  19. Determining Green's Functions for Coupled Elastic Waves and Electromagnetic Fields in a Homogeneous Porous Medium

    NASA Astrophysics Data System (ADS)

    Slob, E. C.; Grobbe, N.

    2014-12-01

    The theory of coupled elastic waves and electromagnetic fields in porous media exists for two decades. Several modeling codes have been developed and some field work has been carried out with mixed success. Modeling the so-called electroseismic and seismo-electromagnetic wavefields is tricky because of the strong elastic fields generated by mechanical sources and strong electromagnetic fields generated by electromagnetic sources, while the coupled fields have relatively small amplitudes. A second difficulty is the fact that the elastic field is essentially a wavefield, while the electromagnetic field is a diffusive field. The slow P-wave is usually also a diffusive field depending on the frequency bandwidth of the data. On the other hand, for porous soils and rocks, laboratory measurements have been carried out to experimentally validate the current theoretical model and to some extent this has been successful. To be able to understand measured data it is crucially important that we have good control on the accuracy of modeled data. Today we don't have this control, which makes it hard to judge the quality of the modeled data and trust the experimental validation of the theory. It is therefore important that exact solutions are found to validate modeling codes in simple configurations. These modeling codes can then numerically validate the theory by matching the results obtained in laboratory or field experiments. The simplest configuration is the homogeneous space and we show exact solutions for the governing equations for point sources and point receivers. These Green's functions are obtained for any type of point source and any type of receiver. We reduce the coupled equations to two scalar equations for the electric field and the particle velocity vectors. Solutions for longitudinal and transverse waves are obtained separately and these are combined to obtain the Green's functions for the electric field and the particle velocity, from which the solutions for

  20. On Rayleigh wave in half-space: an asymptotic approach to study the Rayleigh function and its relation to the Rayleigh wave

    NASA Astrophysics Data System (ADS)

    Liu, Tianshi; Feng, Xi; Zhang, Haiming

    2016-08-01

    To obtain the synthetic seismogram using the Cagniard-de Hoop method, one needs to calculate the integral over slowness. When the source is shallow and the slowness is near the zero of the Rayleigh function, the integrand behaves like a sharp pulse. In this study, we attempt to study this pulse with an asymptotic approach, and conclude that the Rayleigh wave in the time domain originates from this pulse in the slowness domain. We therefore offer an explanation of the excitation of the Rayleigh wave in a mathematical point of view. In addition, we propose a method to improve the efficiency of the numerical quadrature in the calculation of the synthetic seismogram.

  1. Mito-nuclear co-evolution: the positive and negative sides of functional ancient mutations

    PubMed Central

    Levin, Liron; Blumberg, Amit; Barshad, Gilad; Mishmar, Dan

    2014-01-01

    Most cell functions are carried out by interacting factors, thus underlying the functional importance of genetic interactions between genes, termed epistasis. Epistasis could be under strong selective pressures especially in conditions where the mutation rate of one of the interacting partners notably differs from the other. Accordingly, the order of magnitude higher mitochondrial DNA (mtDNA) mutation rate as compared to the nuclear DNA (nDNA) of all tested animals, should influence systems involving mitochondrial-nuclear (mito-nuclear) interactions. Such is the case of the energy producing oxidative phosphorylation (OXPHOS) and mitochondrial translational machineries which are comprised of factors encoded by both the mtDNA and the nDNA. Additionally, the mitochondrial RNA transcription and mtDNA replication systems are operated by nDNA-encoded proteins that bind mtDNA regulatory elements. As these systems are central to cell life there is strong selection toward mito-nuclear co-evolution to maintain their function. However, it is unclear whether (A) mito-nuclear co-evolution befalls only to retain mitochondrial functions during evolution or, also, (B) serves as an adaptive tool to adjust for the evolving energetic demands as species’ complexity increases. As the first step to answer these questions we discuss evidence of both negative and adaptive (positive) selection acting on the mtDNA and nDNA-encoded genes and the effect of both types of selection on mito-nuclear interacting factors. Emphasis is given to the crucial role of recurrent ancient (nodal) mutations in such selective events. We apply this point-of-view to the three available types of mito-nuclear co-evolution: protein–protein (within the OXPHOS system), protein-RNA (mainly within the mitochondrial ribosome), and protein-DNA (at the mitochondrial replication and transcription machineries). PMID:25566330

  2. Imprints of the nuclear symmetry energy on gravitational waves from the axial w-modes of neutron stars

    SciTech Connect

    Wen Dehua; Li Baoan; Krastev, Plamen G.

    2009-08-15

    The eigenfrequencies of the axial w-modes of oscillating neutron stars are studied using the continued fraction method with an equation of state (EOS) partially constrained by the recent terrestrial nuclear laboratory data. It is shown that the density dependence of the nuclear symmetry energy E{sub sym}({rho}) affects significantly both the frequencies and the damping times of these modes. Besides confirming the previously found universal behavior of the mass-scaled eigenfrequencies as functions of the compactness of neutron stars, we explored several alternative universal scaling functions. Moreover, the w{sub II}-mode is found to exist only for neutron stars having a compactness of M/R{>=}0.1078 independent of the EOS used.

  3. Nuclear Structure and Astrophysics r-PROCESS with Covariant Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Meng, J.; Long, W. H.; Niu, Z. M.; Sun, B.; Zhou, S. G.

    2010-09-01

    The density functional theory (DFT) with a minimal number of parameters allows a very successful phenomenological description of ground state properties of nuclei all over the periodic table. Recent progresses on the application of the covariant density functional theory as well as its extensions by the group in Beijing for a series of interests and hot topics in nuclear astrophysics and nuclear structure are reviewed, including the rapid neutron-capture process, Th/U chronometer, halo and giant halo in density dependent relativistic Hartree-Fock-Bogoliubov, and neutron halo in deformed nuclei.

  4. Photon distribution amplitudes and light-cone wave functions in chiral quark models

    SciTech Connect

    Dorokhov, Alexander E.; Broniowski, Wojciech; Ruiz Arriola, Enrique

    2006-09-01

    The leading- and higher-twist distribution amplitudes and light-cone wave functions of real and virtual photons are analyzed in chiral quark models. The calculations are performed in the nonlocal quark model based on the instanton picture of the QCD vacuum, as well as in the spectral quark model and the Nambu-Jona-Lasinio model with the Pauli-Villars regulator, which both treat interaction of quarks with external fields locally. We find that in all considered models the leading-twist distribution amplitudes of the real photon defined at the quark-model momentum scale are constant or remarkably close to the constant in the x variable, thus are far from the asymptotic limit form. The QCD evolution to higher momentum scales is necessary and we carry it out at the leading order of the perturbative theory for the leading-twist amplitudes. We provide estimates for the magnetic susceptibility of the quark condensate {chi}{sub m} and the coupling f{sub 3{gamma}}, which in the nonlocal model turn out to be close to the estimates from QCD sum rules. We find the higher-twist distribution amplitudes at the quark model scale and compare them to the Wandzura-Wilczek estimates. In addition, in the spectral model we evaluate the distribution amplitudes and light-cone wave functions of the {rho}-meson.

  5. Ergodicity breaking and wave-function statistics in disordered interacting systems

    SciTech Connect

    De Luca, Andrea

    2014-08-20

    We present the study of the structure of many-body eigenfunctions in a one-dimensional disordered spin chain. We discuss the choice of an appropriate basis in the Hilbert space, where the problem can be seen as an Anderson model defined on a high-dimensional non-trivial graph, determined by the many-body Hamiltonian. The comparison with the usual behavior of wave-functions in finite dimensional Anderson localization allows us to put in light the main differences of the many-body case. At high disorder, the typical eigenfunctions do not seem to localize though they occupy a infinitesimal portion of the Hilbert space in the thermodynamic limit. We perform a detailed analysis of the distribution of the wave-function coefficients and their peculiar scaling in the small and large disorder phase. We propose a criterion to identify the position of the transition by looking at the long tails of these distributions. The results coming from exact diagonalization show signs of breaking of ergodicity when the disorder reaches a critical value that agrees with the estimation of the many-body localization transition in the same model.

  6. New constraints on D-state contributions to the trinucleon wave functions

    NASA Astrophysics Data System (ADS)

    Vuaridel, B.; Grüebler, W.; König, V.; Elsener, K.; Schmelzbach, P. A.; Bittcher, M.; Singy, D.; Borbély, I.; Bruno, M.; Cannata, F.; D'agostino, M.

    1989-07-01

    Cross-section and polarization data of the 4He(d, 3He) 3H reaction measured at 5 energies have been analysed. The vertex constants for the neutron transfer Gn, the proton transfer Gp and the asymptotic normalization constant Cs2, for the S-state of the 3H wave function have been determined. New constraints on the D- to S-state asymptotic normalization ratio ηt, and η3He for the triton and 3He wave functions are obtained from the tensor analyzing powers. The method of the analytic extrapolation in the angular variable to the transfer poles was used. Implications of this method and its application are discussed. Criteria for the reliability of the results are presented. The result of the analysis is Cs2 = 2.95 ±0.15, ηt = 0.050 ± 0.006 and η3He = 0.035 ± 0.006. The ratio ηt/ η3He shows a significant deviation from unity suggesting a substantial isospin breaking effect.

  7. Niels Bohr on the wave function and the classical/quantum divide

    NASA Astrophysics Data System (ADS)

    Zinkernagel, Henrik

    2016-02-01

    It is well known that Niels Bohr insisted on the necessity of classical concepts in the account of quantum phenomena. But there is little consensus concerning his reasons, and what he exactly meant by this. In this paper, I re-examine Bohr's interpretation of quantum mechanics, and argue that the necessity of the classical can be seen as part of his response to the measurement problem. More generally, I attempt to clarify Bohr's view on the classical/quantum divide, arguing that the relation between the two theories is that of mutual dependence. An important element in this clarification consists in distinguishing Bohr's idea of the wave function as symbolic from both a purely epistemic and an ontological interpretation. Together with new evidence concerning Bohr's conception of the wave function collapse, this sets his interpretation apart from both standard versions of the Copenhagen interpretation, and from some of the reconstructions of his view found in the literature. I conclude with a few remarks on how Bohr's ideas make much sense also when modern developments in quantum gravity and early universe cosmology are taken into account.

  8. Wavelet approximation of correlated wave functions. II. Hyperbolic wavelets and adaptive approximation schemes

    NASA Astrophysics Data System (ADS)

    Luo, Hongjun; Kolb, Dietmar; Flad, Heinz-Jurgen; Hackbusch, Wolfgang; Koprucki, Thomas

    2002-08-01

    We have studied various aspects concerning the use of hyperbolic wavelets and adaptive approximation schemes for wavelet expansions of correlated wave functions. In order to analyze the consequences of reduced regularity of the wave function at the electron-electron cusp, we first considered a realistic exactly solvable many-particle model in one dimension. Convergence rates of wavelet expansions, with respect to L2 and H1 norms and the energy, were established for this model. We compare the performance of hyperbolic wavelets and their extensions through adaptive refinement in the cusp region, to a fully adaptive treatment based on the energy contribution of individual wavelets. Although hyperbolic wavelets show an inferior convergence behavior, they can be easily refined in the cusp region yielding an optimal convergence rate for the energy. Preliminary results for the helium atom are presented, which demonstrate the transferability of our observations to more realistic systems. We propose a contraction scheme for wavelets in the cusp region, which reduces the number of degrees of freedom and yields a favorable cost to benefit ratio for the evaluation of matrix elements.

  9. Crustal Structure of Iraq from Receiver Functions and Surface Wave Dispersion

    SciTech Connect

    Gok, R; Mahdi, H; Al-Shukri, H; Rodgers, A J

    2006-08-31

    We report the crustal structure of Iraq, located in the northeastern Arabian plate, estimated by joint inversion of P-wave receiver functions and surface wave group velocity dispersion. Receiver functions were computed from teleseismic recordings at two temporary broadband seismic stations in Mosul (MSL) and Baghdad (BHD), separated by approximately 360 km. Group velocity dispersion curves at the sites were derived from continental-scale tomography of Pasyanos (2006). The inversion results show that the crustal thicknesses are 39 km at MSL and 43 km at BHD. Both sites reveal low velocity surface layers consistent with sedimentary thickness of about 3 km at station MSL and 7 km at BHD, agreeing well with the existing models. Ignoring the sediments, the crustal velocities and thicknesses are remarkably similar between the two stations, suggesting that the crustal structure of the proto-Arabian Platform in northern Iraq was uniform before subsidence and deposition of the sediments in the Cenozoic. Deeper low velocity sediments at BHD are expected to result in higher ground motions for earthquakes.

  10. Magnetically-tunable spin-selective positioning of wave functions in asymmetric semiconductor quantum structures

    NASA Astrophysics Data System (ADS)

    Lee, S.; Titova, L. V.; Furdyna, Jacek K.; Dobrowolska, M.

    2000-03-01

    It has been recently reported that the properties of self-organized CdSe quantum dots (QDs) on ZnSe change significantly when they are grown on ZnMnSe spacers separating CdSe form ZnSe.[1] To explore this effect futher, we have prepared a series of samples by depositing one monolayer (ML) of CdSe on ZnMnSe spacer layers of different thickness and different Mn concentration. The system is then capped with ZnSe. The band structure for this geometry results in an asymmetric quantum structure, where the 1 ML thick CdSe acts as a "well" between barriers comprised of ZnSe on side, and ZnMnSe on the other. When a magnetic field is applied, the Zeeman splitting of the band edges in ZnMnSe spacer moves the position of the wave function toward or away from the spacer, depending on spin orientation. Such spin-selective repositioning of the wave functions is fully confirmed by magnetic field dependence of ground state exciton transitions observed in PL. This work was supported by NSF Grant DMR 9705064. [1]C.S. Kim et.al., 9th International conference on II-VI compounds, Kyoto, Nov. 1-5, 1999.

  11. The relations among Shannon information entropy, quantum discord, concurrence and localization properties of one-dimensional single-electron wave functions

    NASA Astrophysics Data System (ADS)

    Gong, Longyan; Zheng, Yongcui; Wang, Haihong; Cheng, Weiwen; Zhao, Shengmei

    2014-09-01

    Shannon information entropy (SE), concurrence (CC), quantum discord (QD) and localization properties for various one-dimensional one-electron wave functions are intensively studied, respectively. They include Gaussian functions, power-law functions, and functions in the Anderson model and the Harper ones. For all these wave functions, we find that SE, CC and QD increase as the localization length of a wave function increases, respectively. There are linear or quadratic relationships between two of them. Therefore, we can confirm for the analyzed models that SE, CC and QD are statistically equivalent quantities to reflect the localization properties of wave functions though they are different measures of quantum information.

  12. Retrieval of Green's functions of elastic waves from thermal fluctuations of fluid-solid systems.

    PubMed

    Godin, Oleg A

    2009-04-01

    Fluctuation-dissipation and flow reversal theorems are used to study long-range correlation of thermal phonons in a stationary heterogeneous mechanical system comprised of arbitrary inhomogeneous fluid flow and anisotropic solid. At thermal equilibrium, with an appropriate choice of physical observables to characterize thermal fluctuations within the fluid and within the solid, the general integral expression for the two-point correlation function of the fluctuations reduces to a linear combination of deterministic Green's functions, which describe wave propagation in opposite directions between the two points. It is demonstrated that the cross-correlation of thermal noise contains as much information about the environment as can be obtained in active reciprocal transmission experiments with transceivers placed at the two points. These findings suggest a possible application of ambient noise cross-correlation to passive acoustic characterization of inhomogeneous flows in fluid-solid systems in laboratory and geophysical settings.

  13. Gutzwiller wave function for finite systems: superconductivity in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Tomski, Andrzej; Kaczmarczyk, Jan

    2016-05-01

    We study the superconducting phase of the Hubbard model using the Gutzwiller variational wave function (GWF) and the recently proposed diagrammatic expansion technique (DE-GWF). The DE-GWF method works on the level of the full GWF and in the thermodynamic limit. Here, we consider a finite-size system to study the accuracy of the results as a function of the system size (which is practically unrestricted). We show that the finite-size scaling used, e.g. in the variational Monte Carlo method can lead to significant, uncontrolled errors. The presented research is the first step towards applying the DE-GWF method in studies of inhomogeneous situations, including systems with impurities, defects, inhomogeneous phases, or disorder.

  14. Gutzwiller wave function for finite systems: superconductivity in the Hubbard model.

    PubMed

    Tomski, Andrzej; Kaczmarczyk, Jan

    2016-05-01

    We study the superconducting phase of the Hubbard model using the Gutzwiller variational wave function (GWF) and the recently proposed diagrammatic expansion technique (DE-GWF). The DE-GWF method works on the level of the full GWF and in the thermodynamic limit. Here, we consider a finite-size system to study the accuracy of the results as a function of the system size (which is practically unrestricted). We show that the finite-size scaling used, e.g. in the variational Monte Carlo method can lead to significant, uncontrolled errors. The presented research is the first step towards applying the DE-GWF method in studies of inhomogeneous situations, including systems with impurities, defects, inhomogeneous phases, or disorder.

  15. Temperature-dependent nuclear partition functions and abundances in the stellar interior

    NASA Astrophysics Data System (ADS)

    Nabi, Jameel-Un; Nasser Tawfik, Abdel; Ezzelarab, Nada; Abas Khan, Ali

    2016-05-01

    We calculate the temperature-dependent nuclear partition functions (TDNPFs) and nuclear abundances for 728 nuclei, assuming nuclear statistical equilibrium (NSE). The theories of stellar evolution support NSE. Discrete nuclear energy levels have been calculated microscopically, using the pn-QRPA theory, up to an excitation energy of 10 MeV in the calculation of the TDNPFs. This feature of our paper distinguishes it from previous calculations. Experimental data is also incorporated wherever available to ensure the reliability of our results. Beyond 10 MeV, we employ a simple Fermi gas model and perform integration over the nuclear level densities to approximate the TDNPFs. We calculate nuclidic abundances, using the Saha equation, as a function of three parameters: stellar density, stellar temperature and the lepton-to-baryon content of stellar matter. All these physical parameters are considered to be extremely important in the stellar interior. The results obtained in this paper show that the equilibrium configuration of nuclei remains unaltered by increasing the stellar density (only the calculated nuclear abundances increase by roughly the same order of magnitude). Increasing the stellar temperature smoothes the equilibrium configuration showing peaks at the neutron-number magic nuclei.

  16. Systematic theoretical investigation of the zero-field splitting in Gd(III) complexes: Wave function and density functional approaches

    SciTech Connect

    Khan, Shehryar Odelius, Michael; Kubica-Misztal, Aleksandra; Kruk, Danuta; Kowalewski, Jozef

    2015-01-21

    The zero-field splitting (ZFS) of the electronic ground state in paramagnetic ions is a sensitive probe of the variations in the electronic and molecular structure with an impact on fields ranging from fundamental physical chemistry to medical applications. A detailed analysis of the ZFS in a series of symmetric Gd(III) complexes is presented in order to establish the applicability and accuracy of computational methods using multiconfigurational complete-active-space self-consistent field wave functions and of density functional theory calculations. The various computational schemes are then applied to larger complexes Gd(III)DOTA(H{sub 2}O){sup −}, Gd(III)DTPA(H{sub 2}O){sup 2−}, and Gd(III)(H{sub 2}O){sub 8}{sup 3+} in order to analyze how the theoretical results compare to experimentally derived parameters. In contrast to approximations based on density functional theory, the multiconfigurational methods produce results for the ZFS of Gd(III) complexes on the correct order of magnitude.

  17. An Introductory Guide to GREEN’S Function Methods in Nuclear Many-Body Problems

    NASA Astrophysics Data System (ADS)

    Kuo, T. T. S.; Tzeng, Yiharn

    We present an elementary and fairly detailed review of several Green’s function methods for treating nuclear and other many-body systems. We first treat the single-particle Green’s function, by way of which some details concerning linked diagram expansion, rules for evaluating Green’s function diagrams and solution of the Dyson’s integral equation for Green’s function are exhibited. The particle-particle hole-hole (pphh) Green’s function is then considered, and a specific time-blocking technique is discussed. This technique enables us to have a one-frequency Dyson’s equation for the pphh and similarly for other Green’s functions, thus considerably facilitating their calculation. A third type of Green’s function considered is the particle-hole Green’s function. RPA and high order RPA are treated, along with examples for setting up particle-hole RPA equations. A general method for deriving a model-space Dyson’s equation for Green’s functions is discussed. We also discuss a method for determining the normalization of Green’s function transition amplitudes based on its vertex function. Some applications of Green’s function methods to nuclear structure and recent deep inelastic lepton-nucleus scattering are addressed.

  18. Functional KV10.1 Channels Localize to the Inner Nuclear Membrane

    PubMed Central

    Chen, Ye; Sánchez, Araceli; Rubio, María E.; Kohl, Tobias; Pardo, Luis A.; Stühmer, Walter

    2011-01-01

    Ectopically expressed human KV10.1 channels are relevant players in tumor biology. However, their function as ion channels at the plasma membrane does not totally explain their crucial role in tumors. Both in native and heterologous systems, it has been observed that a majority of KV10.1 channels remain at intracellular locations. In this study we investigated the localization and possible roles of perinuclear KV10.1. We show that KV10.1 is expressed at the inner nuclear membrane in both human and rat models; it co-purifies with established inner nuclear membrane markers, shows resistance to detergent extraction and restricted mobility, all of them typical features of proteins at the inner nuclear membrane. KV10.1 channels at the inner nuclear membrane are not all transported directly from the ER but rather have been exposed to the extracellular milieu. Patch clamp experiments on nuclei devoid of external nuclear membrane reveal the existence of channel activity compatible with KV10.1. We hypothesize that KV10.1 channels at the nuclear envelope might participate in the homeostasis of nuclear K+, or indirectly interact with heterochromatin, both factors known to affect gene expression. PMID:21559285

  19. On- and off-resonance radiation-atom-coupling matrix elements involving extended atomic wave functions

    NASA Astrophysics Data System (ADS)

    Komninos, Yannis; Mercouris, Theodoros; Nicolaides, Cleanthes A.

    2014-01-01

    In continuation of our earlier works, we present results concerning the computation of matrix elements of the multipolar Hamiltonian (MPH) between extended wave functions that are obtained numerically. The choice of the MPH is discussed in connection with the broader issue of the form of radiation-atom (or -molecule) interaction that is appropriate for the systematic solution of various problems of matter-radiation interaction. We derive analytic formulas, in terms of the sine-integral function and spherical Bessel functions of various orders, for the cumulative radial integrals that were obtained and calculated by Komninos, Mercouris, and Nicolaides [Phys. Rev. A 71, 023410 (2005), 10.1103/PhysRevA.71.023410]. This development allows the much faster and more accurate computation of such matrix elements, a fact that enhances the efficiency with which the time-dependent Schrödinger equation is solved nonperturbatively, in the framework of the state-specific expansion approach. The formulas are applicable to the general case where a pair of orbitals with angular parts |ℓ1,m1> and |ℓ2,m2> are coupled radiatively. As a test case, we calculate the matrix elements of the electric field and of the paramagnetic operators for on- and off-resonance transitions, between hydrogenic circular states of high angular momentum, whose quantum numbers are chosen so as to satisfy electric dipole and electric quadrupole selection rules. Because of the nature of their wave function (they are nodeless and the large centrifugal barrier keeps their overwhelming part at large distances from the nucleus), the validity of the electric dipole approximation in various applications where the off-resonance couplings must be considered becomes precarious. For example, for the transition from the circular state with n = 20 to that with n = 21, for which ≈400 a.u., the dipole approximation starts to fail already at XUV wavelengths (λ <125nm).

  20. Multidimensionally constrained covariant density functional theories—nuclear shapes and potential energy surfaces

    NASA Astrophysics Data System (ADS)

    Zhou, Shan-Gui

    2016-06-01

    The intrinsic nuclear shapes deviating from a sphere not only manifest themselves in nuclear collective states but also play important roles in determining nuclear potential energy surfaces (PES’s) and fission barriers. In order to describe microscopically and self-consistently nuclear shapes and PES’s with as many shape degrees of freedom as possible included, we developed multidimensionally constrained covariant density functional theories (MDC-CDFTs). In MDC-CDFTs, the axial symmetry and the reflection symmetry are both broken and all deformations characterized by {β }λ μ with even μ are considered. We have used the MDC-CDFTs to study PES’s and fission barriers of actinides, the non-axial octupole Y 32 correlations in N = 150 isotones and shapes of hypernuclei. In this Review we will give briefly the formalism of MDC-CDFTs and present the applications to normal nuclei.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  2. Ambient noise recovery of surface wave Green's functions: Application at Hawaiian volcanoes

    NASA Astrophysics Data System (ADS)

    Ballmer, S.; Wolfe, C. J.; Okubo, P.; Haney, M. M.; Thurber, C. H.

    2010-12-01

    Hazard assessment of Hawaiian volcanoes critically depends on the understanding of their evolution and dynamics. Previous studies suggest that ambient seismic noise analyses may aid in volcano research and monitoring. Green’s functions derived from ambient noise have been used to perform tomography of the shallow structures (< 5 km depth) at other volcanoes [1, 2]. Moreover, these Green’s functions have been used to monitor very small shallow velocity perturbations prior to eruptions [3]. This promising technique, however, has not yet been applied to any Hawaiian volcano. Here, we examine data from the USGS Hawaii Volcano Observatory short-period seismic network to assess the potential of such ambient noise analyses to constrain spatial velocity heterogeneity and temporal perturbations at Kilauea and Mauna Loa volcanoes. We have obtained continuous seismic data from May 2007 through April 2008. This time period includes two important volcanic events. 1) The Father’s Day dike intrusion into Kilauea’s east rift zone that occurred on June 17, 2007. 2) The Kilauea summit eruption of March 19, 2008 and the high summit activity (that includes high tremor levels) that has since followed. The success of any noise study of temporal velocity perturbations will depend critically on whether stable Green’s functions can be recovered. However, for applications at Hawaii it is possible that during some time frames high volcanic tremor levels may distort ambient noise records and hence limit the results. Using the technical approach described in [2], we plan to examine numerous station pairs to determine the times when stable Green’s functions can be extracted from noise (0.1-1 Hz) that is typically made up of Rayleigh waves created by wind-generated ocean waves. As a first step, we investigate the period around the 2007 dike intrusion to evaluate the applicability of noise interferometry to Kilauea volcano. [1] Brenguier, F., N. M. Shapiro, M. Campillo, A. Nercessian

  3. Nuclear magnetic resonance imaging and spectroscopy of human brain function.

    PubMed Central

    Shulman, R G; Blamire, A M; Rothman, D L; McCarthy, G

    1993-01-01

    The techniques of in vivo magnetic resonance (MR) imaging and spectroscopy have been established over the past two decades. Recent applications of these methods to study human brain function have become a rapidly growing area of research. The development of methods using standard MR contrast agents within the cerebral vasculature has allowed measurements of regional cerebral blood volume (rCBV), which are activity dependent. Subsequent investigations linked the MR relaxation properties of brain tissue to blood oxygenation levels which are also modulated by consumption and blood flow (rCBF). These methods have allowed mapping of brain activity in human visual and motor cortex as well as in areas of the frontal lobe involved in language. The methods have high enough spatial and temporal sensitivity to be used in individual subjects. MR spectroscopy of proton and carbon-13 nuclei has been used to measure rates of glucose transport and metabolism in the human brain. The steady-state measurements of brain glucose concentrations can be used to monitor the glycolytic flux, whereas subsequent glucose metabolism--i.e., the flux into the cerebral glutamate pool--can be used to measure tricarboxylic acid cycle flux. Under visual stimulation the concentration of lactate in the visual cortex has been shown to increase by MR spectroscopy. This increase is compatible with an increase of anaerobic glycolysis under these conditions as earlier proposed from positron emission tomography studies. It is shown how MR spectroscopy can extend this understanding of brain metabolism. Images Fig. 1 Fig. 2 Fig. 3 PMID:8475050

  4. Compact two-electron wave function for bond dissociation and Van der Waals interactions: A natural amplitude assessment

    SciTech Connect

    Giesbertz, Klaas J. H.; Leeuwen, Robert van

    2014-05-14

    Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f (r{sub 12}) depending on the interelectronic distance r{sub 12}. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule. In our numerical implementation, we fully optimize the orbitals and the correlation function on a spatial grid without restrictions on their functional form. Due to this particular form of the wave function, we can prove that none of the amplitudes vanishes and moreover that it displays a distinct sign pattern and a series of avoided crossings as a function of the bond distance in agreement with the exact solution. This shows that the wave function ansatz correctly incorporates the long range Van der Waals interactions. We further show that the approximate wave function gives an excellent binding curve and is able to describe static correlations. We show that in order to do this the correlation function f (r{sub 12}) needs to diverge for large r{sub 12} at large internuclear distances while for shorter bond distances it increases as a function of r{sub 12} to a maximum value after which it decays exponentially. We further give a physical interpretation of this behavior.

  5. Posttranslational marks control architectural and functional plasticity of the nuclear pore complex basket

    PubMed Central

    Niño, Carlos A.; Guet, David; Gay, Alexandre; Brutus, Sergine; Jourquin, Frédéric; Mendiratta, Shweta; Salamero, Jean; Géli, Vincent

    2016-01-01

    The nuclear pore complex (NPC) serves as both the unique gate between the nucleus and the cytoplasm and a major platform that coordinates nucleocytoplasmic exchanges, gene expression, and genome integrity. To understand how the NPC integrates these functional constraints, we dissected here the posttranslational modifications of the nuclear basket protein Nup60 and analyzed how they intervene to control the plasticity of the NPC. Combined approaches highlight the role of monoubiquitylation in regulating the association dynamics of Nup60 and its partner, Nup2, with the NPC through an interaction with Nup84, a component of the Y complex. Although major nuclear transport routes are not regulated by Nup60 modifications, monoubiquitylation of Nup60 is stimulated upon genotoxic stress and regulates the DNA-damage response and telomere repair. Together, these data reveal an original mechanism contributing to the plasticity of the NPC at a molecular-organization and functional level. PMID:26783300

  6. 3 CFR - Delegation of Certain Functions Under Section 204(c) of the United States-India Nuclear...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...) of the United States-India Nuclear Cooperation Approval and Nonproliferation Enhancement Act (Public... Delegation of Certain Functions Under Section 204(c) of the United States-India Nuclear Cooperation Approval... the President by section 204(c) of the United States-India Nuclear Cooperation Approval...

  7. Description of induced nuclear fission with Skyrme energy functionals. II. Finite temperature effects

    NASA Astrophysics Data System (ADS)

    Schunck, N.; Duke, D.; Carr, H.

    2015-03-01

    Understanding the mechanisms of induced nuclear fission for a broad range of neutron energies could help resolve fundamental science issues, such as the formation of elements in the universe, but could have also a large impact on societal applications in energy production or nuclear waste management. The goal of this paper is to set up the foundations of a microscopic theory to study the static aspects of induced fission as a function of the excitation energy of the incident neutron, from thermal to fast neutrons. To account for the high excitation energy of the compound nucleus, we employ a statistical approach based on finite temperature nuclear density functional theory with Skyrme energy densities, which we benchmark on the 239Pu(n ,f ) reaction. We compute the evolution of the least-energy fission pathway across multidimensional potential energy surfaces with up to five collective variables as a function of the nuclear temperature and predict the evolution of both the inner and the outer fission barriers as a function of the excitation energy of the compound nucleus. We show that the coupling to the continuum induced by the finite temperature is negligible in the range of neutron energies relevant for many applications of neutron-induced fission. We prove that the concept of quantum localization introduced recently can be extended to T >0 , and we apply the method to study the interaction energy and total kinetic energy of fission fragments as a function of the temperature for the most probable fission. While large uncertainties in theoretical modeling remain, we conclude that a finite temperature nuclear density functional may provide a useful framework to obtain accurate predictions of fission fragment properties.

  8. Two-state model based on the block-localized wave function method

    NASA Astrophysics Data System (ADS)

    Mo, Yirong

    2007-06-01

    The block-localized wave function (BLW) method is a variant of ab initio valence bond method but retains the efficiency of molecular orbital methods. It can derive the wave function for a diabatic (resonance) state self-consistently and is available at the Hartree-Fock (HF) and density functional theory (DFT) levels. In this work we present a two-state model based on the BLW method. Although numerous empirical and semiempirical two-state models, such as the Marcus-Hush two-state model, have been proposed to describe a chemical reaction process, the advantage of this BLW-based two-state model is that no empirical parameter is required. Important quantities such as the electronic coupling energy, structural weights of two diabatic states, and excitation energy can be uniquely derived from the energies of two diabatic states and the adiabatic state at the same HF or DFT level. Two simple examples of formamide and thioformamide in the gas phase and aqueous solution were presented and discussed. The solvation of formamide and thioformamide was studied with the combined ab initio quantum mechanical and molecular mechanical Monte Carlo simulations, together with the BLW-DFT calculations and analyses. Due to the favorable solute-solvent electrostatic interaction, the contribution of the ionic resonance structure to the ground state of formamide and thioformamide significantly increases, and for thioformamide the ionic form is even more stable than the covalent form. Thus, thioformamide in aqueous solution is essentially ionic rather than covalent. Although our two-state model in general underestimates the electronic excitation energies, it can predict relative solvatochromic shifts well. For instance, the intense π →π* transition for formamide upon solvation undergoes a redshift of 0.3eV, compared with the experimental data (0.40-0.5eV).

  9. Linear and nonlinear properties of the ULF waves driven by ring-beam distribution functions

    NASA Technical Reports Server (NTRS)

    Killen, K.; Omidi, N.; Krauss-Varban, D.; Karimabadi, H.

    1995-01-01

    The problem of the exitation of obliquely propagating magnetosonic waves which can steepen up (also known as shocklets) is considered. Shocklets have been observed upstream of the Earth's bow shock and at comets Giacobini-Zinner and Grigg-Skjellerup. Linear theory as well as two-dimensional (2-D) hybrid (fluid electrons, particle ions) simulations are used to determine the properties of waves generated by ring-beam velocity distributions in great detail. The effects of both proton and oxygen ring-beams are considered. The study of instabilities excited by a proton ring-beam is relevant to the region upstream of the Earth's bow shock, whereas the oxygen ring-beam corresponds to cometary ions picked up by the solar wind. Linear theory has shown that for a ring-beam, four instabilities are found, one on the nonresonant mode, one on the Alfven mode, and two along the magnetosonic/whistler branch. The relative growth rate of these instabilities is a sensitive function of parameters. Although one of the magnetosonic instabilities has maximum growth along the magnetic field, the other has maximum growth in oblique directions. We have studied the competition of these instabilities in the nonlinear regime using 2-D simulations. As in the linear limit, the nonlinear results are a function of beam density and distribution function. By performing the simulations as both initial value and driven systems, we have found that the outcome of the simulations can vary, suggesting that the latter type simulations is needed to address the observations. A general conclusion of the simulation results is that field-aligned beams do not result in the formation of shocklets, whereas ring-beam distributions can.

  10. Crustal structure beneath western and eastern Iceland from surface waves and receiver functions

    USGS Publications Warehouse

    Du, Z.; Foulger, G.R.; Julian, B.R.; Allen, R.M.; Nolet, G.; Morgan, W.J.; Bergsson, B.H.; Erlendsson, P.; Jakobsdottir, S.; Ragnarsson, S.; Stefansson, R.; Vogfjord, K.

    2002-01-01

    We determine the crustal structures beneath 14 broad-band seismic stations, deployed in western, eastern, central and southern Iceland, using surface wave dispersion curves and receiver functions. We implement a method to invert receiver functions using constraints obtained from genetic algorithm inversion of surface waves. Our final models satisfy both data sets. The thickness of the upper crust, as defined by the velocity horizon Vs = 3.7 km s-1, is fairly uniform at ???6.5-9 km beneath the Tertiary intraplate areas of western and eastern Iceland, and unusually thick at 11 km beneath station HOT22 in the far south of Iceland. The depth to the base of the lower crust, as defined by the velocity horizon Vs = 4.1 km s-1 is ???20-26 km in western Iceland and ???27-33 km in eastern Iceland. These results agree with those of explosion profiles that detect a thinner crust beneath western Iceland than beneath eastern Iceland. An earlier report of a substantial low-velocity zone beneath the Middle Volcanic Zone in the lower crust is confirmed by a similar observation beneath an additional station there. As was found in previous receiver function studies, the most reliable feature of the results is the clear division into an upper sequence that is a few kilometres thick where velocity gradients are high, and a lower, thicker sequence where velocity gradients are low. The transition to typical mantle velocities is variable, and may range from being very gradational to being relatively sharp and clear. A clear Moho, by any definition, is rarely seen, and there is thus uncertainty in estimates of the thickness of the crust in many areas. Although a great deal of seismic data are now available constraining the structures of the crust and upper mantle beneath Iceland, their geological nature is not well understood.

  11. Recursive geometric integrators for wave propagation in a functionally graded multilayered elastic medium

    NASA Astrophysics Data System (ADS)

    Wang, Lugen; Rokhlin, S. I.

    2004-11-01

    The differential equations governing transfer and stiffness matrices and acoustic impedance for a functionally graded generally anisotropic magneto-electro-elastic medium have been obtained. It is shown that the transfer matrix satisfies a linear 1st order matrix differential equation, while the stiffness matrix satisfies a nonlinear Riccati equation. For a thin nonhomogeneous layer, approximate solutions with different levels of accuracy have been formulated in the form of a transfer matrix using a geometrical integration in the form of a Magnus expansion. This integration method preserves qualitative features of the exact solution of the differential equation, in particular energy conservation. The wave propagation solution for a thick layer or a multilayered structure of inhomogeneous layers is obtained recursively from the thin layer solutions. Since the transfer matrix solution becomes computationally unstable with increase of frequency or layer thickness, we reformulate the solution in the form of a stable stiffness-matrix solution which is obtained from the relation of the stiffness matrices to the transfer matrices. Using an efficient recursive algorithm, the stiffness matrices of the thin nonhomogeneous layer are combined to obtain the total stiffness matrix for an arbitrary functionally graded multilayered system. It is shown that the round-off error for the stiffness-matrix recursive algorithm is higher than that for the transfer matrices. To optimize the recursive procedure, a computationally stable hybrid method is proposed which first starts the recursive computation with the transfer matrices and then, as the thickness increases, transits to the stiffness matrix recursive algorithm. Numerical results show this solution to be stable and efficient. As an application example, we calculate the surface wave velocity dispersion for a functionally graded coating on a semispace.

  12. Analytical expressions for the log-amplitude correlation function for spherical wave propagation through anisotropic non-Kolmogorov atmosphere.

    PubMed

    Gudimetla, V S Rao; Holmes, Richard B; Riker, Jim F

    2014-01-01

    An analytical expression for the log-amplitude correlation function based on the Rytov approximation is derived for spherical wave propagation through an anisotropic non-Kolmogorov refractive turbulent atmosphere. The expression reduces correctly to the previously published analytic expressions for the case of spherical wave propagation through isotropic Kolmogorov turbulence. These results agree well with a wave-optics simulation based on the more general Fresnel approximation, as well as with numerical evaluations, for low-to-moderate strengths of turbulence. These results are useful for understanding the potential impact of deviations from the standard isotropic Kolmogorov spectrum.

  13. Analytical expressions for the log-amplitude correlation function for plane wave propagation in anisotropic non-Kolmogorov refractive turbulence.

    PubMed

    Gudimetla, V S Rao; Holmes, Richard B; Riker, Jim F

    2012-12-01

    An analytical expression for the log-amplitude correlation function for plane wave propagation through anisotropic non-Kolmogorov turbulent atmosphere is derived. The closed-form analytic results are based on the Rytov approximation. These results agree well with wave optics simulation based on the more general Fresnel approximation as well as with numerical evaluations, for low-to-moderate strengths of turbulence. The new expression reduces correctly to the previously published analytic expressions for the cases of plane wave propagation through both nonisotropic Kolmogorov turbulence and isotropic non-Kolmogorov turbulence cases. These results are useful for understanding the potential impact of deviations from the standard isotropic Kolmogorov spectrum.

  14. Effect of {sigma}-{omega}-{gamma} mixing on the dimesonic function in nuclear matter

    SciTech Connect

    Liu, L.; Zhou, Q.; Lai, T.

    1995-05-01

    The {sigma}-{omega} mixing in nuclear matter is extended to include the electromagnetic interaction between protons by mixing the photon propagator with the {sigma},{omega} propagators. The total dimesonic function, including the electromagnetic interaction is derived and its real and imaginary parts as well as the dispersion relation are calculated numerically. We find that the electromagnetic interaction has a very large effect on the real part of the dimesonic function for low momentum transfer and zero energy (or zero frequency). The imaginary part of the dimesonic function shows a resonant behavior as a function of energy for fixed momentum, where the point of the negative minimum is verified to correspond to the point in the acoustic sound spectra of the collective excitation. The dispersion relation at normal nuclear matter density indicates the existence of a completely damped acoustic sound collective excitation.

  15. Construction of exchange repulsion in terms of the wave functions at QM/MM boundary region

    SciTech Connect

    Takahashi, Hideaki Umino, Satoru; Morita, Akihiro

    2015-08-28

    We developed a simple method to calculate exchange repulsion between a quantum mechanical (QM) solute and a molecular mechanical (MM) molecule in the QM/MM approach. In our method, the size parameter in the Buckingham type potential for the QM solute is directly determined in terms of the one-electron wave functions of the solute. The point of the method lies in the introduction of the exchange core function (ECF) defined as a Slater function which mimics the behavior of the exterior electron density at the QM/MM boundary region. In the present paper, the ECF was constructed in terms of the Becke-Roussel (BR) exchange hole function. It was demonstrated that the ECF yielded by the BR procedure can faithfully reproduce the radial behavior of the electron density of a QM solute. The size parameter of the solute as well as the exchange repulsion are, then, obtained using the overlap model without any fitting procedure. To examine the efficiency of the method, it was applied to calculation of the exchange repulsions for minimal QM/MM systems, hydrogen-bonded water dimer, and H{sub 3}O{sup +}–H{sub 2}O. We found that our approach is able to reproduce the potential energy curves for these systems showing reasonable agreements with those given by accurate full quantum chemical calculations.

  16. Orbital-free density functional theory implementation with the projector augmented-wave method

    SciTech Connect

    Lehtomäki, Jouko; Makkonen, Ilja; Harju, Ari; Lopez-Acevedo, Olga; Caro, Miguel A.

    2014-12-21

    We present a computational scheme for orbital-free density functional theory (OFDFT) that simultaneously provides access to all-electron values and preserves the OFDFT linear scaling as a function of the system size. Using the projector augmented-wave method (PAW) in combination with real-space methods, we overcome some obstacles faced by other available implementation schemes. Specifically, the advantages of using the PAW method are twofold. First, PAW reproduces all-electron values offering freedom in adjusting the convergence parameters and the atomic setups allow tuning the numerical accuracy per element. Second, PAW can provide a solution to some of the convergence problems exhibited in other OFDFT implementations based on Kohn-Sham (KS) codes. Using PAW and real-space methods, our orbital-free results agree with the reference all-electron values with a mean absolute error of 10 meV and the number of iterations required by the self-consistent cycle is comparable to the KS method. The comparison of all-electron and pseudopotential bulk modulus and lattice constant reveal an enormous difference, demonstrating that in order to assess the performance of OFDFT functionals it is necessary to use implementations that obtain all-electron values. The proposed combination of methods is the most promising route currently available. We finally show that a parametrized kinetic energy functional can give lattice constants and bulk moduli comparable in accuracy to those obtained by the KS PBE method, exemplified with the case of diamond.

  17. ABINIT: Plane-Wave-Based Density-Functional Theory on High Performance Computers

    NASA Astrophysics Data System (ADS)

    Torrent, Marc

    2014-03-01

    For several years, a continuous effort has been produced to adapt electronic structure codes based on Density-Functional Theory to the future computing architectures. Among these codes, ABINIT is based on a plane-wave description of the wave functions which allows to treat systems of any kind. Porting such a code on petascale architectures pose difficulties related to the many-body nature of the DFT equations. To improve the performances of ABINIT - especially for what concerns standard LDA/GGA ground-state and response-function calculations - several strategies have been followed: A full multi-level parallelisation MPI scheme has been implemented, exploiting all possible levels and distributing both computation and memory. It allows to increase the number of distributed processes and could not be achieved without a strong restructuring of the code. The core algorithm used to solve the eigen problem (``Locally Optimal Blocked Congugate Gradient''), a Blocked-Davidson-like algorithm, is based on a distribution of processes combining plane-waves and bands. In addition to the distributed memory parallelization, a full hybrid scheme has been implemented, using standard shared-memory directives (openMP/openACC) or porting some comsuming code sections to Graphics Processing Units (GPU). As no simple performance model exists, the complexity of use has been increased; the code efficiency strongly depends on the distribution of processes among the numerous levels. ABINIT is able to predict the performances of several process distributions and automatically choose the most favourable one. On the other hand, a big effort has been carried out to analyse the performances of the code on petascale architectures, showing which sections of codes have to be improved; they all are related to Matrix Algebra (diagonalisation, orthogonalisation). The different strategies employed to improve the code scalability will be described. They are based on an exploration of new diagonalization

  18. [The role of chromosomal regions anchored to the nuclear envelope in the functional organization of chromosomes].

    PubMed

    Shabarina, A N; Shostak, N G; Glazkov, M V

    2010-09-01

    The functional characteristics of the DNA fragments responsible for chromosome attachment to the nuclear envelope during the interphase (neDNAs) have been studied. The neDNAs flanking the transgene have been found to promote a steadily high rate of its expression, irrespective of the site of its insertion into the host chromosomes. At the same time, neDNAs themselves have no transcription regulatory functions. PMID:21061611

  19. General coalescence conditions for the exact wave functions. II. Higher-order relations for many-particle systems

    SciTech Connect

    Kurokawa, Yusaku I. E-mail: h.nakatsuji@qcri.or.jp; Nakashima, Hiroyuki; Nakatsuji, Hiroshi E-mail: h.nakatsuji@qcri.or.jp

    2014-06-07

    We derived the necessary conditions that must be satisfied by the non-relativistic time-independent exact wave functions for many-particle systems at a two-particle coalescence (or cusp) point. Some simple conditions are known to be Kato's cusp condition (CC) and Rassolov and Chipman's CC. In a previous study, we derived an infinite number of necessary conditions that two-particle wave functions must satisfy at a coalescence point. In the present study, we extend these conditions to many-particle systems. They are called general coalescence conditions (GCCs), and Kato's CC and Rassolov and Chipman's CC are included as special conditions. GCCs can be applied not only to Coulombic systems but also to any system in which the interaction between two particles is represented in a power series of inter-particle distances. We confirmed the correctness of our derivation of the GCCs by applying the exact wave function of a harmonium in electron-electron and electron-nucleus coalescence situations. In addition, we applied the free complement (FC) wave functions of a helium atom to the GCCs to examine the accuracy of the FC wave function in the context of a coalescence situation.

  20. Capillary wave Hamiltonian for the Landau-Ginzburg-Wilson density functional.

    PubMed

    Chacón, Enrique; Tarazona, Pedro

    2016-06-22

    We study the link between the density functional (DF) formalism and the capillary wave theory (CWT) for liquid surfaces, focused on the Landau-Ginzburg-Wilson (LGW) model, or square gradient DF expansion, with a symmetric double parabola free energy, which has been extensively used in theoretical studies of this problem. We show the equivalence between the non-local DF results of Parry and coworkers and the direct evaluation of the mean square fluctuations of the intrinsic surface, as is done in the intrinsic sampling method for computer simulations. The definition of effective wave-vector dependent surface tensions is reviewed and we obtain new proposals for the LGW model. The surface weight proposed by Blokhuis and the surface mode analysis proposed by Stecki provide consistent and optimal effective definitions for the extended CWT Hamiltonian associated to the DF model. A non-local, or coarse-grained, definition of the intrinsic surface provides the missing element to get the mesoscopic surface Hamiltonian from the molecular DF description, as had been proposed a long time ago by Dietrich and coworkers.