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Sample records for nuclear wave functions

  1. Meaning of the nuclear wave function

    NASA Astrophysics Data System (ADS)

    Terry, John D.; Miller, Gerald A.

    2016-07-01

    Background: The intense current experimental interest in studying the structure of the deuteron and using it to enable accurate studies of neutron structure motivate us to examine the four-dimensional space-time nature of the nuclear wave function and the various approximations used to reduce it to an object that depends only on three spatial variables. Purpose: The aim is to determine if the ability to understand and analyze measured experimental cross sections is compromised by making the reduction from four to three dimensions. Method: Simple, exactly calculable, covariant models of a bound-state wave-state wave function (a scalar boson made of two constituent-scalar bosons) with parameters chosen to represent a deuteron are used to investigate the accuracy of using different approximations to the nuclear wave function to compute the quasielastic scattering cross section. Four different versions of the wave function are defined (light-front-spectator, light-front, light-front with scaling, and nonrelativistic) and used to compute the cross sections as a function of how far off the mass shell (how virtual) is the struck constituent. Results: We show that making an exact calculation of the quasielastic scattering cross section involves using the light-front-spectator wave function. All of the other approaches fail to reproduce the model exact calculation if the value of Bjorken x differs from unity. The model is extended to consider an essential effect of spin to show that constituent nucleons cannot be treated as being on their mass shell even when taking the matrix element of a "good" current. Conclusions: Developing realistic light-front-spectator wave functions to meet the needs of current and planned experiments is a worthwhile activity.

  2. 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.

  3. Test of nuclear wave functions for pseudospin symmetry.

    PubMed

    Ginocchio, J N; Leviatan, A

    2001-08-13

    Using the fact that pseudospin is an approximate symmetry of the Dirac Hamiltonian with realistic scalar and vector mean fields, we derive the wave functions of the pseudospin partners of eigenstates of a realistic Dirac Hamiltonian and compare these wave functions with the wave functions of the Dirac eigenstates.

  4. Correlated electron-nuclear dynamics with conditional wave functions.

    PubMed

    Albareda, Guillermo; Appel, Heiko; Franco, Ignacio; Abedi, Ali; Rubio, Angel

    2014-08-22

    The molecular Schrödinger equation is rewritten in terms of nonunitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ensemble of generally defined electronic (or nuclear) trajectories. This scheme is exact and does not rely on the tracing out of degrees of freedom. Hence, the use of trajectory-based statistical techniques can be exploited to circumvent the calculation of the computationally demanding Born-Oppenheimer potential-energy surfaces and nonadiabatic coupling elements. The concept of the potential-energy surface is restored by establishing a formal connection with the exact factorization of the full wave function. This connection is used to gain insight from a simplified form of the exact propagation scheme.

  5. 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.

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

    PubMed

    Eich, F G; Agostini, Federica

    2016-08-07

    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.

  7. 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.

  8. Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering

    PubMed Central

    Ignatova, Nina; Cruz, Vinícius V.; Couto, Rafael C.; Ertan, Emelie; Zimin, Andrey; Guimarães, Freddy F.; Polyutov, Sergey; Ågren, Hans; Kimberg, Victor; Odelius, Michael; Gel’mukhanov, Faris

    2017-01-01

    As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two bonds in the ground state. In this study we find that this localisation may be broken in excited electronic states. Contrary to the ground state, the stretching vibrations of HDO are delocalised in the bound core-excited state in spite of the mass difference between hydrogen and deuterium. The reason for this effect can be traced to the narrow “canyon-like” shape of the potential of the state along the symmetric stretching mode, which dominates over the localisation mass-difference effect. In contrast, the localisation of nuclear motion to one of the HDO bonds is preserved in the dissociative core-excited state . The dynamics of the delocalisation of nuclear motion in these core-excited states is studied using resonant inelastic X-ray scattering of the vibrationally excited HDO molecule. The results shed light on the process of a wave function collapse. After core-excitation into the state of HDO the initial wave packet collapses gradually, rather than instantaneously, to a single vibrational eigenstate. PMID:28266586

  9. Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering.

    PubMed

    Ignatova, Nina; Cruz, Vinícius V; Couto, Rafael C; Ertan, Emelie; Zimin, Andrey; Guimarães, Freddy F; Polyutov, Sergey; Ågren, Hans; Kimberg, Victor; Odelius, Michael; Gel'mukhanov, Faris

    2017-03-07

    As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two bonds in the ground state. In this study we find that this localisation may be broken in excited electronic states. Contrary to the ground state, the stretching vibrations of HDO are delocalised in the bound core-excited state in spite of the mass difference between hydrogen and deuterium. The reason for this effect can be traced to the narrow "canyon-like" shape of the potential of the state along the symmetric stretching mode, which dominates over the localisation mass-difference effect. In contrast, the localisation of nuclear motion to one of the HDO bonds is preserved in the dissociative core-excited state . The dynamics of the delocalisation of nuclear motion in these core-excited states is studied using resonant inelastic X-ray scattering of the vibrationally excited HDO molecule. The results shed light on the process of a wave function collapse. After core-excitation into the state of HDO the initial wave packet collapses gradually, rather than instantaneously, to a single vibrational eigenstate.

  10. Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering

    NASA Astrophysics Data System (ADS)

    Ignatova, Nina; Cruz, Vinícius V.; Couto, Rafael C.; Ertan, Emelie; Zimin, Andrey; Guimarães, Freddy F.; Polyutov, Sergey; Ågren, Hans; Kimberg, Victor; Odelius, Michael; Gel’Mukhanov, Faris

    2017-03-01

    As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two bonds in the ground state. In this study we find that this localisation may be broken in excited electronic states. Contrary to the ground state, the stretching vibrations of HDO are delocalised in the bound core-excited state in spite of the mass difference between hydrogen and deuterium. The reason for this effect can be traced to the narrow “canyon-like” shape of the potential of the state along the symmetric stretching mode, which dominates over the localisation mass-difference effect. In contrast, the localisation of nuclear motion to one of the HDO bonds is preserved in the dissociative core-excited state . The dynamics of the delocalisation of nuclear motion in these core-excited states is studied using resonant inelastic X-ray scattering of the vibrationally excited HDO molecule. The results shed light on the process of a wave function collapse. After core-excitation into the state of HDO the initial wave packet collapses gradually, rather than instantaneously, to a single vibrational eigenstate.

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

    NASA Astrophysics Data System (ADS)

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

    2015-08-01

    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.

  12. 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.

  13. Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: application to SSSH.

    PubMed

    Kolmann, Stephen J; Jordan, Meredith J T

    2010-02-07

    One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.

  14. 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.

  15. The nuclear displacement operator and formulation of the Born couplings of molecular Born-Oppenheimer wave functions

    NASA Astrophysics Data System (ADS)

    Zhang, Yongfeng; Porter, Richard N.

    1988-04-01

    The nuclear displacement operator (NDO) for Born-Oppenheimer electronic wave functions (BOEWF) is introduced and some recurrence formulas are obtained. The formulas for Born couplings and higher derivatives of BOEWF with respect to nuclear coordinates are derived from very general considerations and relations among these quantities are given. The series form, exponential, and integral forms of the NDO are exhibited. Particularly, it is proven that for the two-state systems the NDO has a very simple form by which it is convenient to study two-state dynamical processes. It is shown that the NDO satisfies a differential equation which is analogous to that for the time-evolution operator in the presence of a time-dependent perturbation. The physical meanings of these two operators are compared. It is demonstrated that the NDO is uniquely determined by the vector Born coupling matrix, and that the nuclear motion may be analyzed in terms of a local non-Abelian gauge transformation.

  16. 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.

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

    PubMed

    Heuser, Johannes; Höfener, Sebastian

    2016-05-05

    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. © 2016 Wiley Periodicals, Inc.

  18. Nuclear electromagnetic moments of the ground states of148Pm and210Bi calculated with phenomenological wave functions derived from analyses of β-decay experiments

    NASA Astrophysics Data System (ADS)

    Rosso, O. A.; Szybisz, L.

    1983-10-01

    The magnetic dipole and electric quadrupole moments of the ground states of148Pm and210Bi are evaluated with phenomenological wave functions derived from β-decay studies published in previous works. It is found that these wave functions account satisfactorily for the experimental data of both nuclear moments of the210Bi ground state. In the case of148Pm, while the calculated value of the electric quadrupole moment is not inconsistent with the experimental data, a strong disagreement between theory and experiment is found for the magnetic dipole moment. We attribute this failure to the use of a too small configuration space for the expansion of the nuclear wave function of148Pm.

  19. 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.

  20. 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

  1. Holographic tunneling wave function

    NASA Astrophysics Data System (ADS)

    Conti, Gabriele; Hertog, Thomas; van der Woerd, Ellen

    2015-12-01

    The Hartle-Hawking wave function in cosmology can be viewed as a decaying wave function with anti-de Sitter (AdS) boundary conditions. We show that the growing wave function in AdS familiar from Euclidean AdS/CFT is equivalent, semiclassically and up to surface terms, to the tunneling wave function in cosmology. The cosmological measure in the tunneling state is given by the partition function of certain relevant deformations of CFTs on a locally AdS boundary. We compute the partition function of finite constant mass deformations of the O( N ) vector model on the round three sphere and show this qualitatively reproduces the behaviour of the tunneling wave function in Einstein gravity coupled to a positive cosmological constant and a massive scalar. We find the amplitudes of inhomogeneities are not damped in the holographic tunneling state.

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

    PubMed

    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.

  3. 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.

  4. Nuclear Parton Distribution Functions

    SciTech Connect

    Schienbein, I.; Yu, J.-Y.; Keppel, Cynthia; Morfin, Jorge; Olness, F.; Owens, J.F.

    2009-01-01

    We study nuclear effects of charged current deep inelastic neutrino-iron scattering in the framework of a chi^2 analysis of parton distribution functions (PDFs). We extract a set of iron PDFs which are used to compute x_Bj-dependent and Q^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_Bj, our correction factors differ in both shape and magnitude from the correction factors of the models and charged-lepton scattering.

  5. 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.

  6. Electronic-nuclear entanglement in H2 +: Schmidt decomposition of non-Born-Oppenheimer wave functions expanded in nonorthogonal basis sets

    NASA Astrophysics Data System (ADS)

    Sanz-Vicario, José Luis; Pérez-Torres, Jhon Fredy; Moreno-Polo, Germán

    2017-08-01

    We compute the entanglement between the electronic and vibrational motions in the simplest molecular system, the hydrogen molecular ion, considering the molecule as a bipartite system, electron and vibrational motion. For that purpose we compute an accurate total non-Born-Oppenheimer wave function in terms of a huge expansion using nonorthogonal B-spline basis sets that expand separately the electronic and nuclear wave functions. According to the Schmidt decomposition theorem for bipartite systems, widely used in quantum-information theory, it is possible to find a much shorter but equivalent expansion in terms of the natural orbitals or Schmidt bases for the electronic and nuclear half spaces. Here we extend the Schmidt decomposition theorem to the case in which nonorthogonal bases are used to span the partitioned Hilbert spaces. This extension is first illustrated with two simple coupled systems, the former without an exact solution and the latter exactly solvable. In these model systems of distinguishable coupled particles it is shown that the entanglement content does not increase monotonically with the excitation energy, but only within the manifold of states that belong to an existing excitation mode, if any. In the hydrogen molecular ion the entanglement content for each non-Born-Oppenheimer vibronic state is quantified through the von Neumann and linear entropies and we show that entanglement serves as a witness to distinguish vibronic states related to different Born-Oppenheimer molecular energy curves or electronic excitation modes.

  7. Adaptive multiconfigurational wave functions.

    PubMed

    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 N2 and the potential energy curves for the first three singlet states of C2. 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 Cu2O2(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.

  8. 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.

  9. 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

  10. 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.

  11. Properties of resonance wave functions.

    NASA Technical Reports Server (NTRS)

    More, R. M.; Gerjuoy, E.

    1973-01-01

    Construction and study of resonance wave functions corresponding to poles of the Green's function for several illustrative models of theoretical interest. Resonance wave functions obtained from the Siegert and Kapur-Peierls definitions of the resonance energies are compared. The comparison especially clarifies the meaning of the normalization constant of the resonance wave functions. It is shown that the wave functions may be considered renormalized in a sense analogous to that of quantum field theory. However, this renormalization is entirely automatic, and the theory has neither ad hoc procedures nor infinite quantities.

  12. Generation of Gravitational Waves with Nuclear Reactions

    SciTech Connect

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

    2006-01-20

    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 ({approx} 3.03x1024 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., 3.67x108 N) acting over extremely short time spans (e.g., 3.3x10-22 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 8.5x1010 W to 1.64x1025 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 {approx} 0.005 are theoretically achieved in the laboratory, which might have interesting general-relativity and nuclear-physics consequences.

  13. Coulomb wave functions in momentum space

    SciTech Connect

    Eremenko, V.; Upadhyay, N. J.; Thompson, I. J.; Elster, Ch.; Nunes, F. M.; Arbanas, G.; Escher, J. E.; Hlophe, L.

    2015-10-15

    We present an algorithm to calculate non-relativistic partial-wave Coulomb functions in momentum space. The arguments are the Sommerfeld parameter η, the angular momentum l, the asymptotic momentum q and the 'running' momentum p, where both momenta are real. Since the partial-wave Coulomb functions exhibit singular behavior when p → q, different representations of the Legendre functions of the 2nd kind need to be implemented in computing the functions for the values of p close to the singularity and far away from it. The code for the momentum-space Coulomb wave functions is applicable for values of vertical bar eta vertical bar in the range of 10-1 to 10, and thus is particularly suited for momentum space calculations of nuclear reactions.

  14. Coulomb wave functions in momentum space

    DOE PAGES

    Eremenko, V.; Upadhyay, N. J.; Thompson, I. J.; ...

    2015-10-15

    We present an algorithm to calculate non-relativistic partial-wave Coulomb functions in momentum space. The arguments are the Sommerfeld parameter η, the angular momentum l, the asymptotic momentum q and the 'running' momentum p, where both momenta are real. Since the partial-wave Coulomb functions exhibit singular behavior when p → q, different representations of the Legendre functions of the 2nd kind need to be implemented in computing the functions for the values of p close to the singularity and far away from it. The code for the momentum-space Coulomb wave functions is applicable for values of vertical bar eta vertical barmore » in the range of 10-1 to 10, and thus is particularly suited for momentum space calculations of nuclear reactions.« less

  15. 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.

  16. 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

  17. 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

  18. Fragmentation functions in nuclear media

    NASA Astrophysics Data System (ADS)

    Sassot, Rodolfo; Stratmann, Marco; Zurita, Pia

    2010-03-01

    We perform a detailed phenomenological analysis of how well hadronization in nuclear environments can be described in terms of effective fragmentation functions. The medium modified fragmentation functions are assumed to factorize from the partonic scattering cross sections and evolve in the hard scale in the same way as the standard or vacuum fragmentation functions. Based on precise data on semi-inclusive deep-inelastic scattering off nuclei and hadron production in deuteron-gold collisions, we extract sets of effective fragmentation functions for pions and kaons at next-to-leading order accuracy. The obtained sets provide a rather accurate description of the kinematical dependence of the analyzed cross sections and are found to differ significantly from standard fragmentation functions both in shape and magnitude. Our results support the notion of factorization and universality in the studied nuclear environments, at least in an effective way and within the precision of the available data.

  19. Multi-time wave functions

    NASA Astrophysics Data System (ADS)

    Lienert, Matthias; Petrat, Sören; Tumulka, Roderich

    2017-08-01

    In non-relativistic quantum mechanics of N particles in three spatial dimensions, the wave function ψ( q 1, …, q N , t) is a function of 3N position coordinates and one time coordinate. It is an obvious idea that in a relativistic setting, such functions should be replaced by ϕ((t 1, q 1), …, (tN, q N )), a function of N space-time points called a multi-time wave function because it involves N time variables. Its evolution is determined by N Schrödinger equations, one for each time variable; to ensure that simultaneous solutions to these N equations exist, the N Hamiltonians need to satisfy a consistency condition. This condition is automatically satisfied for non-interacting particles, but it is not obvious how to set up consistent multi-time equations with interaction. For example, interaction potentials (such as the Coulomb potential) make the equations inconsistent, except in very special cases. However, there have been recent successes in setting up consistent multi-time equations involving interaction, in two ways: either involving zero-range (δ potential) interaction or involving particle creation and annihilation. The latter equations provide a multi-time formulation of a quantum field theory. The wave function in these equations is a multi-time Fock function, i.e., a family of functions consisting of, for every n = 0, 1, 2, …, an n-particle wave function with n time variables. These wave functions are related to the Tomonaga-Schwinger approach and to quantum field operators, but, as we point out, they have several advantages.

  20. 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.

  1. 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.

  2. HMG Modifications and Nuclear Function

    PubMed Central

    Zhang, Qingchun; Wang, Yinsheng

    2009-01-01

    High mobility group (HMG) proteins assume important roles in regulating chromatin dynamics, transcriptional activities of genes and other cellular processes. Post-translational modifications of HMG proteins can alter their interactions with DNA and proteins, and consequently, affect their biological activities. Although the mechanisms through which these modifications are involved in regulating biological processes in different cellular contexts are not fully understood, new insights into these modification “codes” have emerged from the increasing appreciation of the functions of these proteins. In this review, we focus on the chemical modifications of mammalian HMG proteins and highlight their roles in nuclear functions. PMID:20123066

  3. 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.

  4. 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.

  5. Wave aberration function and its definition

    NASA Astrophysics Data System (ADS)

    Zverev, V. A.; Rytova, E. S.; Timoshchuk, I. N.

    2011-06-01

    A definition of a wave aberration as a phase shift upon composition of light waves in the image of a point is given using the concept of point eikonal. An expression that determines the total differential of a wave aberration function is obtained and the condition of its integrability is determined. The sequence of the wave aberration function definition at the known functions of the meridional and sagittal components of lateral aberration is presented.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. The Meaning of the Wave Function

    NASA Astrophysics Data System (ADS)

    Gao, Shan

    2017-03-01

    Preface; 1. Quantum mechanics and experience; 2. The wave function: ontic vs epistemic; 3. The nomological view; 4. Reality of the wave function; 5. Origin of the Schrödinger equation; 6. The ontology of quantum mechanics (I); 7. The ontology of quantum mechanics (II); 8. Implications for solving the measurement problem; 9. Quantum ontology and relativity; Epilogue; References; Index.

  11. Relation between nuclear and nucleon structure functions and their moments

    SciTech Connect

    Rinat, A.S.; Taragin, M.F.

    2006-04-15

    Calculations of nuclear structure functions (SFs) F{sub k=1,2}{sup A}(x,Q{sup 2}) routinely exploit a generalized convolution, involving the SFs for nucleons F{sub k}{sup N} and the linking SF f{sup PN,A} of a fictitious nucleus, composed of point particles, with the latter usually expressed in terms of hadronic degrees of freedom. For finite Q{sup 2} the approach seemed to be lacking a solid justification and the same is the case for recently proposed, effective nuclear parton distribution functions, which exactly reproduce the above-mentioned hadronically computed F{sub k}{sup A}. Many years ago Jaffe and West proved the above convolution in the plane-wave impulse approximation for the nuclear components in the convolution. We extend the above proof to include classes of nuclear final-state interactions. One and the same function appears to relate parton distribution functions in nuclei and nucleons and SFs for nuclear targets and for nucleons. That relation is the previously conjectured one, with an entirely different interpretation of f{sup PN,A}. We conclude with an extensive analysis of moments of nuclear SFs based on the generalized convolution. Characteristics of those moments are shown to be quite similar to those for a nucleon. We conclude that the above is evidence of asymptotic freedom of a nucleon in a medium and not the same for a composite nucleus.

  12. Time symmetry in wave-function collapse

    NASA Astrophysics Data System (ADS)

    Bedingham, D. J.; Maroney, O. J. E.

    2017-04-01

    The notion of a physical collapse of the wave function is embodied in dynamical collapse models. These involve a modification of the unitary evolution of the wave function so as to give a dynamical account of collapse. The resulting dynamics is at first sight time asymmetric for the simple reason that the wave function depends on those collapse events in the past but not those in the future. Here we show that dynamical wave-function collapse models admit a general description that has no built-in direction of time. Given some simple constraints, we show that there exist empirically equivalent pictures of collapsing wave functions in both time directions, each satisfying the same dynamical rules. A preferred direction is singled out only by the asymmetric initial and final time constraints on the state of the universe.

  13. 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.

  14. 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.

  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. Nuclear energy density functional and the nuclear α decay

    NASA Astrophysics Data System (ADS)

    Lim, Yeunhwan; Oh, Yongseok

    2017-03-01

    The nuclear α decay of heavy nuclei is investigated based on the nuclear energy density functional, which leads to the α potential inside the parent nucleus in terms of the proton and neutron density profiles of the daughter nucleus. We use the Skyrme force model, Gogny force model, and relativistic mean-field model to get the nucleon density profiles inside heavy nuclei. Once the nucleon density profiles are determined, the parameters of the nuclear α potential are fitted to the observed α decay half-lives of heavy nuclei. This approach is then applied to predict unknown α decay half-lives of heavy nuclei. To estimate the Q values of unobserved α decays, we make use of the liquid droplet model.

  17. Electron dynamics following photoionization: Decoherence due to the nuclear-wave-packet width

    NASA Astrophysics Data System (ADS)

    Vacher, Morgane; Steinberg, Lee; Jenkins, Andrew J.; Bearpark, Michael J.; Robb, Michael A.

    2015-10-01

    The advent of attosecond techniques opens up the possibility to observe experimentally electron dynamics following ionization of molecules. Theoretical studies of pure electron dynamics at single fixed nuclear geometries in molecules have demonstrated oscillatory charge migration at a well-defined frequency but often neglecting the natural width of the nuclear wave packet. The effect on electron dynamics of the spatial delocalization of the nuclei is an outstanding question. Here, we show how the inherent distribution of nuclear geometries leads to dephasing. Using a simple analytical model, we demonstrate that the conditions for a long-lived electronic coherence are a narrow nuclear wave packet and almost parallel potential-energy surfaces of the states involved. We demonstrate with numerical simulations the decoherence of electron dynamics for two real molecular systems (paraxylene and polycyclic norbornadiene), which exhibit different decoherence time scales. To represent the quantum distribution of geometries of the nuclear wave packet, the Wigner distribution function is used. The electron dynamics decoherence result has significant implications for the interpretation of attosecond spectroscopy experiments since one no longer expects long-lived oscillations.

  18. Evolution: functional evolution of nuclear structure.

    PubMed

    Wilson, Katherine L; Dawson, Scott C

    2011-10-17

    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.

  19. 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

  20. The evolution of piecewise polynomial wave functions

    NASA Astrophysics Data System (ADS)

    Andrews, Mark

    2017-01-01

    For a non-relativistic particle, we consider the evolution of wave functions that consist of polynomial segments, usually joined smoothly together. These spline wave functions are compact (that is, they are initially zero outside a finite region), but they immediately extend over all available space as they evolve. The simplest splines are the square and triangular wave functions in one dimension, but very complicated splines have been used in physics. In general the evolution of such spline wave functions can be expressed in terms of antiderivatives of the propagator; in the case of a free particle or an oscillator, all the evolutions are expressed exactly in terms of Fresnel integrals. Some extensions of these methods to two and three dimensions are discussed.

  1. Uncertainty Quantification for Nuclear Density Functional Theory

    NASA Astrophysics Data System (ADS)

    McDonnell, Jordan; Schunck, Nicolas; Nazarewicz, Witold; Higdon, Dave; Sarich, Jason; Wild, Stefan

    2014-09-01

    Nuclear density functional theory exhibits good overall agreement with measured nuclear masses for medium-mass to heavy nuclei. But the predictions of various models diverge substantially near the neutron and proton drip lines. Quantifying the theory's inherent uncertainty is essential for making reliable predictions. Through a Bayesian analysis, we calculate the theoretical uncertainty for nuclear masses obtained with a Skyrme-class energy density functional. We also assess whether a recent set of mass measurements of neutron-rich nuclei reduces the uncertainty in this model's predictions near the neutron drip line. Nuclear density functional theory exhibits good overall agreement with measured nuclear masses for medium-mass to heavy nuclei. But the predictions of various models diverge substantially near the neutron and proton drip lines. Quantifying the theory's inherent uncertainty is essential for making reliable predictions. Through a Bayesian analysis, we calculate the theoretical uncertainty for nuclear masses obtained with a Skyrme-class energy density functional. We also assess whether a recent set of mass measurements of neutron-rich nuclei reduces the uncertainty in this model's predictions near the neutron drip line. This work was supported by the US Department of Energy under Contracts No. DE-SC0008499 and No. DE-AC52-07NA27344.

  2. Deuteron wave function and OPE potential

    NASA Astrophysics Data System (ADS)

    Righi, S.; Rosa-Clot, M.

    1987-06-01

    The deuteron wave function is calculated integrating from outside the Schredinger equation using as input its asymptotic behaviour. Some potentials are tested and the one pion exchange potential (OPEP) is shown to be the main responsible of the wave function structure up to distances of about 1 fm. The relevance of the short range part of the potential is analyzed and it is shown that a substantial enhancement of the OPEP central part is needed in the deuteron channel.

  3. 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.

  4. 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

  5. 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

  6. Electron-nuclear wave-packet dynamics through a conical intersection

    NASA Astrophysics Data System (ADS)

    Hader, Kilian; Albert, Julian; Gross, E. K. U.; Engel, Volker

    2017-02-01

    We investigate the coupled electron-nuclear dynamics in a model system showing a conical intersection (CoIn) between two excited state potential energy surfaces. Within the model, a single electron and nucleus move in two dimensions in an external static field. It is demonstrated that the nuclear density conserves its initial Gaussian shape when directly passing the CoIn, whereas the electronic density remains approximately constant. This is in sharp contrast to the picture which evolves from an analysis within the basis of adiabatic electronic states. There, dramatic changes are seen in the dynamics of the different nuclear components of the total wave function. It is thus documented that, in the case of a highly efficient population transfer between the respective adiabatic states, neither the nuclear nor the electronic density is influenced by the existence of a CoIn. This is the case because the nuclear-electronic wave packet moves on the complete potential energy surface which changes its topology smoothly as a function of all particle coordinates.

  7. 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

  8. Geometric entanglement in the Laughlin wave function

    NASA Astrophysics Data System (ADS)

    Zhang, Jiang-Min; Liu, Yu

    2017-08-01

    We study numerically the geometric entanglement in the Laughlin wave function, which is of great importance in condensed matter physics. The Slater determinant having the largest overlap with the Laughlin wave function is constructed by an iterative algorithm. The logarithm of the overlap, which is a geometric quantity, is then taken as a geometric measure of entanglement. It is found that the geometric entanglement is a linear function of the number of electrons to a good extent. This is especially the case for the lowest Laughlin wave function, namely the one with filling factor of 1/3. Surprisingly, the linear behavior extends well down to the smallest possible value of the electron number, namely, N = 2. The constant term does not agree with the expected topological entropy. In view of previous works, our result indicates that the relation between geometric entanglement and topological entropy is very subtle.

  9. MECHANICAL REGULATION OF NUCLEAR STRUCTURE AND FUNCTION

    PubMed Central

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

    2013-01-01

    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 can be also 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

  10. 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.

  11. Cusped-gaussian wave functions

    NASA Astrophysics Data System (ADS)

    Dyer, Sara; Steiner, Erich

    The single-excitation configuration interaction method is used to calculate the spin density at the nucleus in the Li atom and the LiH+ molecular ion. A variety of cusped-gaussian, all-gaussian and Slater function basis sets are compared. It is shown that whilst it is difficult to obtain reliable values for the spin density with conventional gaussian basis sets, the cusped-gaussian basis can give values of the properties at a nucleus that are very similar to those obtained with a Slater function basis. It is shown that it is essential for accurate work to ensure that the basis is highly flexible in the region close to a nucleus.

  12. Wigner functions for evanescent waves.

    PubMed

    Petruccelli, Jonathan C; Tian, Lei; Oh, Se Baek; Barbastathis, George

    2012-09-01

    We propose phase space distributions, based on an extension of the Wigner distribution function, to describe fields of any state of coherence that contain evanescent components emitted into a half-space. The evanescent components of the field are described in an optical phase space of spatial position and complex-valued angle. Behavior of these distributions upon propagation is also considered, where the rapid decay of the evanescent components is associated with the exponential decay of the associated phase space distributions. To demonstrate the structure and behavior of these distributions, we consider the fields generated from total internal reflection of a Gaussian Schell-model beam at a planar interface.

  13. 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.

  14. 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.

  15. Nuclear pairing from microscopic forces: Singlet channels and higher-partial waves

    NASA Astrophysics Data System (ADS)

    Maurizio, Stefano; Holt, Jeremy W.; Finelli, Paolo

    2014-10-01

    Background: An accurate description of nuclear pairing gaps is extremely important for understanding static and dynamic properties of the inner crusts of neutron stars and to explain their cooling process. Purpose: We plan to study the behavior of the pairing gaps ΔF as a function of the Fermi momentum kF for neutron and nuclear matter in all relevant angular momentum channels where superfluidity is believed to naturally emerge. The calculations will employ realistic chiral nucleon-nucleon potentials with the inclusion of three-body forces and self-energy effects. Methods: The superfluid states of neutron and nuclear matter are studied by solving the BCS gap equation for chiral nuclear potentials using the method suggested by Khodel et al., where the original gap equation is replaced by a coupled set of equations for the dimensionless gap function χ (k) defined by Δ(k )=ΔFχ(k) and a nonlinear algebraic equation for the gap magnitude ΔF=Δ(kF) at the Fermi surface. This method is numerically stable even for small pairing gaps, such as that encountered in the coupled 3PF2 partial wave. Results: We have successfully applied Khodel's method to singlet (S) and coupled channel (SD and PF) cases in neutron and nuclear matter. Our calculations agree with other ab initio approaches, where available, and provide crucial inputs for future applications in superfluid systems.

  16. Designing electron wave functions in assembled nanostructures

    NASA Astrophysics Data System (ADS)

    Moon, Christopher Ryan

    We use the scanning tunneling microscope to not only to map electron wave functions but also to engineer them. By assembling nanostructures from individual atoms and molecules, we confine two-dimensional electronic states into closed electron resonators, or "quantum corrals". Precise control over the geometry of these structures allows electronic states to be tailored to suit particular experiments. Specifically, we design wave functions that enable studies of normally inaccessible quantum phases. First, we create pairs of quantum corrals with shapes drawn from contemporary mathematics. Exploiting special topological relationships between these structures, we retrieve internal quantum phase of electron wave functions without using interferometry. Second, we demonstrate that adding a single atom to a quantum corral can cause its electronic states to recombine into coherent superpositions. The real-space position of the additional atom controls abstract superposition phase angles, enabling arbitrary time-independent superpositions to be created. Third, we study geometric phase by creating a series of quantum corrals that traverse a closed path through a parameter space. Tracking the corral wave functions reveals a phase shift depending solely on the path taken, directly visualizing Berry's phase evolution in a quantum system. Finally, we extend beyond closed electron resonators and engineer wave functions in open nanostructures. We show that arbitrary patterns can be encoded into electronic states, creating a new form of holography on the nanoscale. We exhibit letters written in electron density rather than with atomic matter, and show that multiple letters may be simultaneously embedded at different energies in the same region of space. Because the wavelength of the electrons diminishes as energy is increased, this technique allows local information densities that exceed the conventionally assumed limit of 1 bit per atom. Taken together, the results in this thesis

  17. Error analysis in nuclear density functional theory

    NASA Astrophysics Data System (ADS)

    Schunck, Nicolas; McDonnell, Jordan D.; Sarich, Jason; Wild, Stefan M.; Higdon, Dave

    2015-03-01

    Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the formation of elements in the Universe or the mechanisms that power stars and reactors. The predictive power of the theory depends on the amount of physics embedded in the energy density functional as well as on efficient ways to determine a small number of free parameters and solve the DFT equations. In this article, we discuss the various sources of uncertainties and errors encountered in DFT and possible methods to quantify these uncertainties in a rigorous manner.

  18. Error Analysis in Nuclear Density Functional Theory

    SciTech Connect

    Schunck, Nicolas; McDonnell, Jordan D.; Sarich, Jason; Wild, Stefan M.; Higdon, Dave

    2015-03-01

    Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the formation of elements in the Universe or the mechanisms that power stars and reactors. The predictive power of the theory depends on the amount of physics embedded in the energy density functional as well as on efficient ways to determine a small number of free parameters and solve the DFT equations. In this article, we discuss the various sources of uncertainties and errors encountered in DFT and possible methods to quantify these uncertainties in a rigorous manner.

  19. 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

    2013-05-03

    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.

  20. Nuclear Energy Density Functional for KIDS

    NASA Astrophysics Data System (ADS)

    Gil, H.; Papakonstantinou, P.; Hyun, C. H.; Park, T.-S.; Oh, Y.

    The density functional theory (DFT) is based on the existence and uniqueness of a universal functional $E[\\rho]$, which determines the dependence of the total energy on single-particle density distributions. However, DFT says nothing about the form of the functional. Our strategy is to first look at what we know, from independent considerations, about the analytical density dependence of the energy of nuclear matter and then, for practical applications, to obtain an appropriate density-dependent effective interaction by reverse engineering. In a previous work on homogeneous matter, we identified the most essential terms to include in our "KIDS" functional, named after the early-stage participating institutes. We now present first results for finite nuclei, namely the energies and radii of $^{16,28}$O, $^{40,60}$Ca.

  1. Green's function Monte Carlo in nuclear physics

    SciTech Connect

    Carlson, J.

    1990-01-01

    We review the status of Green's Function Monte Carlo (GFMC) methods as applied to problems in nuclear physics. New methods have been developed to handle the spin and isospin degrees of freedom that are a vital part of any realistic nuclear physics problem, whether at the level of quarks or nucleons. We discuss these methods and then summarize results obtained recently for light nuclei, including ground state energies, three-body forces, charge form factors and the coulomb sum. As an illustration of the applicability of GFMC to quark models, we also consider the possible existence of bound exotic multi-quark states within the framework of flux-tube quark models. 44 refs., 8 figs., 1 tab.

  2. Photoelectron wave function in photoionization: Plane wave or Coulomb wave? [Does photoionization of neutral targets produce Coulomb or plane waves?

    DOE PAGES

    Gozem, Samer; Gunina, Anastasia O.; Ichino, Takatoshi; ...

    2015-10-28

    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 photoelectronmore » 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. Finally, 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.« less

  3. Primordial gravitational waves and the collapse of the wave function

    NASA Astrophysics Data System (ADS)

    León, Gabriel; Kraiselburd, Lucila; Landau, Susana J.

    2015-10-01

    The self-induced collapse hypothesis was introduced by D. Sudarsky and collaborators to explain the origin of cosmic structure from a perfect isotropic and homogeneous universe during the inflationary regime. In this paper, we calculate the power spectrum for the tensor modes, within the semiclassical gravity approximation, with the additional hypothesis of a generic self-induced collapse of the inflaton's wave function; we also compute an estimate for the tensor-to-scalar ratio. Based on this calculation, we show that the considered proposal exhibits a strong suppression of the tensor modes amplitude; nevertheless, the corresponding amplitude is still consistent with the joint BICEP/KECK and Planck Collaboration's limit on the tensor-to-scalar ratio.

  4. Towards a Functional Understanding of PGO Waves.

    PubMed

    Gott, Jarrod A; Liley, David T J; Hobson, J Allan

    2017-01-01

    Ponto-Geniculo-Occipital (PGO) waves are biphasic field potentials identified in a range of mammalian species that are ubiquitous with sleep, but can also be identified in waking perception and eye movement. Their role in REM sleep and visual perception more broadly may constitute a promising avenue for further research, however what was once an active field of study has recently fallen into stasis. With the reality that invasive recordings performed on animals cannot be replicated in humans; while animals themselves cannot convey experience to the extent required to elucidate how PGO waves factor into awareness and behavior, innovative solutions are required if significant research outcomes are to ever be realized. Advances in non-invasive imaging technologies and sophistication in imaging methods now offer substantial scope to renew the study of the electrophysiological substrates of waking and dreaming perception. Among these, Magnetoencephalogram (MEG) stands out through its capacity to measure deep brain activations with high temporal resolution. With the current trend in sleep and dream research to produce translational findings of psychopathological and medical significance, in addition to the clear links that PGO wave generation sites share, pharmacologically, with receptors involved in expression of mental illness; there is a strong case to support scientific research into PGO waves and develop a functional understanding of their broader role in human perception.

  5. Towards a Functional Understanding of PGO Waves

    PubMed Central

    Gott, Jarrod A.; Liley, David T. J.; Hobson, J. Allan

    2017-01-01

    Ponto-Geniculo-Occipital (PGO) waves are biphasic field potentials identified in a range of mammalian species that are ubiquitous with sleep, but can also be identified in waking perception and eye movement. Their role in REM sleep and visual perception more broadly may constitute a promising avenue for further research, however what was once an active field of study has recently fallen into stasis. With the reality that invasive recordings performed on animals cannot be replicated in humans; while animals themselves cannot convey experience to the extent required to elucidate how PGO waves factor into awareness and behavior, innovative solutions are required if significant research outcomes are to ever be realized. Advances in non-invasive imaging technologies and sophistication in imaging methods now offer substantial scope to renew the study of the electrophysiological substrates of waking and dreaming perception. Among these, Magnetoencephalogram (MEG) stands out through its capacity to measure deep brain activations with high temporal resolution. With the current trend in sleep and dream research to produce translational findings of psychopathological and medical significance, in addition to the clear links that PGO wave generation sites share, pharmacologically, with receptors involved in expression of mental illness; there is a strong case to support scientific research into PGO waves and develop a functional understanding of their broader role in human perception. PMID:28316568

  6. Wave function methods for fractional electrons.

    PubMed

    Steinmann, Stephan N; Yang, Weitao

    2013-08-21

    Determining accurate chemical potentials is of considerable interest in various chemical and physical contexts: from small molecular charge-transfer complexes to bandgap in bulk materials such as semi-conductors. Chemical potentials are typically evaluated either by density functional theory, or, alternatively, by computationally more intensive Greens function based GW computations. To calculate chemical potentials, the ground state energy needs to be defined for fractional charges. We thus explore an extension of wave function theories to fractional charges, and investigate the ionization potential and electron affinity as the derivatives of the energy with respect to the electron number. The ultimate aim is to access the chemical potential of correlated wave function methods without the need of explicitly changing the numbers of electrons, making the approach readily applicable to bulk materials. We find that even though second order perturbation theory reduces the fractional charge error considerably compared to Hartree-Fock and standard density functionals, higher order perturbation theory is more accurate and coupled-cluster approaches are even more robust, provided the electrons are bound at the Hartree-Fock level. The success of post-HF approaches to improve over HF relies on two equally important aspects: the integer values are more accurate and the Coulomb correlation between the fractionally occupied orbital and all others improves the straight line behavior significantly as identified by a correction to Hartree-Fock. Our description of fractional electrons is also applicable to fractional spins, illustrating the ability of coupled-cluster singles and doubles to deal with two degenerate fractionally occupied orbitals, but its inadequacy for three and more fractional spins, which occur, for instance, for spherical atoms and when dissociating double bonds. Our approach explores the realm of typical wave function methods that are applied mostly in molecular

  7. Wave function methods for fractional electrons

    NASA Astrophysics Data System (ADS)

    Steinmann, Stephan N.; Yang, Weitao

    2013-08-01

    Determining accurate chemical potentials is of considerable interest in various chemical and physical contexts: from small molecular charge-transfer complexes to bandgap in bulk materials such as semi-conductors. Chemical potentials are typically evaluated either by density functional theory, or, alternatively, by computationally more intensive Greens function based GW computations. To calculate chemical potentials, the ground state energy needs to be defined for fractional charges. We thus explore an extension of wave function theories to fractional charges, and investigate the ionization potential and electron affinity as the derivatives of the energy with respect to the electron number. The ultimate aim is to access the chemical potential of correlated wave function methods without the need of explicitly changing the numbers of electrons, making the approach readily applicable to bulk materials. We find that even though second order perturbation theory reduces the fractional charge error considerably compared to Hartree-Fock and standard density functionals, higher order perturbation theory is more accurate and coupled-cluster approaches are even more robust, provided the electrons are bound at the Hartree-Fock level. The success of post-HF approaches to improve over HF relies on two equally important aspects: the integer values are more accurate and the Coulomb correlation between the fractionally occupied orbital and all others improves the straight line behavior significantly as identified by a correction to Hartree-Fock. Our description of fractional electrons is also applicable to fractional spins, illustrating the ability of coupled-cluster singles and doubles to deal with two degenerate fractionally occupied orbitals, but its inadequacy for three and more fractional spins, which occur, for instance, for spherical atoms and when dissociating double bonds. Our approach explores the realm of typical wave function methods that are applied mostly in molecular

  8. 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.

  9. 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. Copyright © 2016 Elsevier Inc. All rights reserved.

  10. Wave functions of log-periodic oscillators

    SciTech Connect

    Bessa, V.; Guedes, I.

    2011-06-15

    We use the Lewis and Riesenfeld invariant method [J. Math. Phys. 10, 1458 (1969)] and a unitary transformation to obtain the exact Schroedinger wave functions for time-dependent harmonic oscillators exhibiting log-periodic-type behavior. For each oscillator we calculate the quantum fluctuations in the coordinate and momentum as well as the quantum correlations between the coordinate and momentum. We observe that the oscillator with m=m{sub 0}t/t{sub 0} and {omega}={omega}{sub 0}t{sub 0}/t, which exhibits an exact log-periodic oscillation, behaves as the harmonic oscillator with m and {omega} constant.

  11. The resonance wave function - is it relevant?

    SciTech Connect

    Elander, Nils; Shilyeava, Ksenia; Volkov, Mikhail; Yarevsky, Evgeny; Rakityansky, Sergei

    2008-04-03

    The physical relevance of the resonance wave function is discussed in view of the complex scaling theory. It is argued that although it is unphysical in the sense that it corresponds to a complex energy it is useful when we want to understand and compute several physical observables. We first review our work on the influence of resonances on a scattering cross sections. We then discuss the partial widths concept as presented by Peshkin, Moiseyev and Lefebvre [J. Chem. Phys. 92 2902 (1990)]. Finally we use this formalism to suggest a way to define a root mean square radius of a resonant state.

  12. 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.

  13. Nucleon localization within nuclear density functional theory

    NASA Astrophysics Data System (ADS)

    Zhang, Chunli; Schuetrumpf, Bastian; Nazarewicz, Witold

    2016-09-01

    Recently, a nucleon localization measure based on Hartree-Fock densities has been introduced to investigate α-cluster structures in light nuclei. Compared to the local nucleonic density, the nucleon localization function (NLF) has been shown to be an excellent indicator of cluster correlations. To investigate the cluster structures in light nuclei and study the development of fission fragments in heavy nuclei, we analyse NLFs in deformed nuclei. We use both the deformed harmonic oscillator model and self-consistent nuclear density functional theory (DFT) with energy density functionals UNEDF1 and UNEDF1-HFB, which were optimized for fission studies. In this contribution, we will discuss particle densities and spatial localization functions for deformed configurations of 8Be and 20Ne and along fission pathways of 232Th and 240Pu. We illustrate the usefulness of the NLF by showing how the third hyperdeformed minimum of 232Th can be understood in terms of the ground states of 132Sn and 100Zr. This material is based upon work supported by the U.S. Department of Energy, Office of Science under Award Numbers DOE-DE-NA0002847, DE-SC0013365 (Michigan State University), and DE-SC0008511 (NUCLEI SciDAC-3 collaboration).

  14. Multideterminant Wave Functions in Quantum Monte Carlo.

    PubMed

    Morales, Miguel A; McMinis, Jeremy; Clark, Bryan K; Kim, Jeongnim; Scuseria, Gustavo E

    2012-07-10

    Quantum Monte Carlo (QMC) methods have received considerable attention over past decades due to their great promise for providing a direct solution to the many-body Schrodinger equation in electronic systems. Thanks to their low scaling with the number of particles, QMC methods present a compelling competitive alternative for the accurate study of large molecular systems and solid state calculations. In spite of such promise, the method has not permeated the quantum chemistry community broadly, mainly because of the fixed-node error, which can be large and whose control is difficult. In this Perspective, we present a systematic application of large scale multideterminant expansions in QMC and report on its impressive performance with first row dimers and the 55 molecules of the G1 test set. We demonstrate the potential of this strategy for systematically reducing the fixed-node error in the wave function and for achieving chemical accuracy in energy predictions. When compared to traditional quantum chemistry methods like MP2, CCSD(T), and various DFT approximations, the QMC results show a marked improvement over all of them. In fact, only the explicitly correlated CCSD(T) method with a large basis set produces more accurate results. Further developments in trial wave functions and algorithmic improvements appear promising for rendering QMC as the benchmark standard in large electronic systems.

  15. Green function for three-wave coupling problems

    SciTech Connect

    Molevich, N E

    2001-07-31

    The Green function is found for three-wave coupling problems. The function was used for analysis of parametric amplification in dissipative and active media. It is shown that the parametric increment in active media can become exponential. As an example, the nonstationary stimulated scattering of electromagnetic waves by sound and temperatures waves is considered. (nonlinear optical phenomena)

  16. A wave function for stock market returns

    NASA Astrophysics Data System (ADS)

    Ataullah, Ali; Davidson, Ian; Tippett, Mark

    2009-02-01

    The instantaneous return on the Financial Times-Stock Exchange (FTSE) All Share Index is viewed as a frictionless particle moving in a one-dimensional square well but where there is a non-trivial probability of the particle tunneling into the well’s retaining walls. Our analysis demonstrates how the complementarity principle from quantum mechanics applies to stock market prices and of how the wave function presented by it leads to a probability density which exhibits strong compatibility with returns earned on the FTSE All Share Index. In particular, our analysis shows that the probability density for stock market returns is highly leptokurtic with slight (though not significant) negative skewness. Moreover, the moments of the probability density determined under the complementarity principle employed here are all convergent - in contrast to many of the probability density functions on which the received theory of finance is based.

  17. Analysis of the Anomalous Surface Wave Magnitudes for the North Korean Nuclear Explosions

    NASA Astrophysics Data System (ADS)

    Bonner, J. L.; Herrmann, R. B.

    2009-12-01

    The surface wave magnitudes (Ms) estimated from Rayleigh waves generated by the 9 October 2006 and 25 May 2009 North Korean nuclear explosions were 2.9 and 3.6, respectively. When these estimates were related to the body-wave magnitudes (mb) reported for these events (e.g., 4.1 and 4.6), the surface wave magnitudes were anomalously large compared to typical nuclear explosions. When using these Ms values to predict the yields of the explosions, the estimates were an order of magnitude larger than yields estimated from body-wave techniques. In this paper, we present our surface wave analysis for these explosions. We provide estimates of the surface wave magnitudes for both the Love and Rayleigh waves generated by these explosions with comparison to other nuclear test sites. For example, the Love-wave Ms for the 25 May 2009 event was 0.6 magnitude units smaller than the Rayleigh-wave magnitude, which is a larger difference than noted for any other historic nuclear test site. This provides qualitative evidence of the largely isotropic nature of these explosions. We further quantify this by providing moment estimates for each explosion based on surface wave modeling. We then use these moments to estimate yields based on velocity structures inferred near the North Korean test site for comparison to body-wave yield estimates. We also compare the moments and magnitudes to numerous earthquakes in the Korean Peninsula for which similar analyses have been completed. We hope to determine the phenomena behind these large explosion-generated Rayleigh waves, with possible explanations including path effects, the largely isotropic components of these explosions, or the test site velocity structure.

  18. Nonlinear Trivelpiece-Gould waves: Frequency, functional form, and stability

    NASA Astrophysics Data System (ADS)

    Dubin, D. H. E.; Ashourvan, A.

    2015-10-01

    This paper 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 waves 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 amplitude, and nonlinear theories that include a small number of harmonics, such as three-wave parametric resonance theory, also fail to fully capture the stability properties of the system. It is found 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 three-wave parametric resonance, with an amplitude required for instability onset that is much larger than expected from three wave theory. It is found that traveling waves are linearly stable for all amplitudes that could be studied, in contradiction to three-wave theory.

  19. Fraunhofer diffraction of coherent and incoherent nuclear matter waves by complementary screens

    NASA Astrophysics Data System (ADS)

    da Silveira, R.; Leclercq-Willain, Ch.

    2013-06-01

    The analogy between Fraunhofer diffraction effects observed in nuclear and subnuclear collisions and those observed with light diffracted by complementary screens is revisited. Emphasis will be put on the collision mechanisms playing a role analogous to that of an aperture in light diffraction. These analogies are illustrated with examples involving coherent and incoherent nuclear matter waves.

  20. Superoscillating electron wave functions with subdiffraction spots

    NASA Astrophysics Data System (ADS)

    Remez, Roei; Tsur, Yuval; Lu, Peng-Han; Tavabi, Amir H.; Dunin-Borkowski, Rafal E.; Arie, Ady

    2017-03-01

    Almost one and a half centuries ago, Abbe [Arch. Mikrosk. Anat. 9, 413 (1873), 10.1007/BF02956173] and shortly after Lord Rayleigh [Philos. Mag. Ser. 5 8, 261 (1879), 10.1080/14786447908639684] showed that, when an optical lens is illuminated by a plane wave, a diffraction-limited spot with radius 0.61 λ /sinα is obtained, where λ is the wavelength and α is the semiangle of the beam's convergence cone. However, spots with much smaller features can be obtained at the focal plane when the lens is illuminated by an appropriately structured beam. Whereas this concept is known for light beams, here, we show how to realize it for a massive-particle wave function, namely, a free electron. We experimentally demonstrate an electron central spot of radius 106 pm, which is more than two times smaller than the diffraction limit of the experimental setup used. In addition, we demonstrate that this central spot can be structured by adding orbital angular momentum to it. The resulting superoscillating vortex beam has a smaller dark core with respect to a regular vortex beam. This family of electron beams having hot spots with arbitrarily small features and tailored structures could be useful for studying electron-matter interactions with subatomic resolution.

  1. Time-domain study of tectonic strain-release effects on seismic waves from underground nuclear explosions

    SciTech Connect

    Nakanishi, K.K.; Sherman, N.W.

    1982-09-01

    Tectonic strain release affects both the amplitude and phase of seismic waves from underground nuclear explosions. Surface wave magnitudes are strongly affected by the component of tectonic strain release in the explosion. Amplitudes and radiation patterns of surface waves from explosions with even small tectonic components change magnitudes significantly and show a strong dependence on receiver locations. A thrust-slip source superimposed on an isotropic explosion can explain observed reversals in waveform at different azimuths and phase delays between normal and reversed Rayleigh waves. The mechanism of this reversal is due to the phase relationship between reasonable explosion and tectonic release sources. Spallation or an unusual source time function are not required. The observations of Shagan River events imply thrust-slip motion along faults in a northwest-southeast direction, which is consistent with regional tectonics.

  2. Structure, dynamics and function of nuclear pore complexes

    PubMed Central

    D’Angelo, M. A.; Hetzer, M. W.

    2009-01-01

    Nuclear pore complexes are large aqueous channels that penetrate the nuclear envelope, connecting the nuclear interior with the cytoplasm. Until recently, these macromolecular complexes were viewed as static structures whose only function was to control the molecular trafficking between the two compartments. It has now become evident that this simplistic scenario is inaccurate and that nuclear pore complexes are highly dynamic multiprotein assemblies involved in diverse cellular processes ranging from the organization of the cytoskeleton to gene expression. In this review, we will discuss the most recent developments in the nuclear pore complex field, focusing in the assembly, disassembly, maintenance and function of this macromolecular structure. PMID:18786826

  3. 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

  4. Interpreting the wave function of the Universe.

    NASA Astrophysics Data System (ADS)

    Tipler, F. J.

    The Many-Worlds Interpretation of quantum mechanics is used to determine the meaning of the universal wave function of quantum cosmology. More precisely, the Many-Worlds Interpretation is used to distinguish those quantities in quantum cosmology which are measureable, and hence physically meaningful, from those which are not. A number of rather surprising conclusions are drawn from the analysis. All conclusions are illustrated with a closed Friedmann universe quantized in conformal time. The author's quantization procedure allows only one solution to Schrödinger's equation, and this solution solves the Flatness Problem. He shows that the ADM quantization method plus the Hartle-Hawking initial foundary condition gives the same result.

  5. 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.

  6. An exponential multireference wave-function Ansatz

    SciTech Connect

    Hanrath, Michael

    2005-08-22

    An exponential multireference wave-function Ansatz is formulated. In accordance with the state universal coupled-cluster Ansatz of Jeziorski and Monkhorst [Phys. Rev. A 24, 1668 (1981)] the approach uses a reference specific cluster operator. In order to achieve state selectiveness the excitation- and reference-related amplitude indexing of the state universal Ansatz is replaced by an indexing which is based on excited determinants. There is no reference determinant playing a particular role. The approach is size consistent, coincides with traditional single-reference coupled cluster if applied to a single-reference, and converges to full configuration interaction with an increasing cluster operator excitation level. Initial applications on BeH{sub 2}, CH{sub 2}, Li{sub 2}, and nH{sub 2} are reported.

  7. 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.

  8. 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.

  9. Strong field dissociative ionization of the D2+: Nuclear wave packet analysis

    NASA Astrophysics Data System (ADS)

    Tóth, A.; Borbély, S.; Halász, G. J.; Vibók, Á.

    2017-09-01

    Theoretical ab initio investigation of strong field dissociative ionization of the D2+ molecule in the multiphoton regime is reported. The dynamics is initiated by ultrashort laser pulses for fixed molecular axis orientations. Nuclear wave packet calculations are performed to provide the joint energy spectra (JES): ionization-dissociation probability density via electron (Ee) and nuclear (En) kinetic energy. Analyzing the time-dependent nuclear wave packet densities we have successfully identified the exact path followed by the D2+ target for each multiphoton peak.

  10. Nuclear Lamins: Thin Filaments with Major Functions.

    PubMed

    de Leeuw, Rebecca; Gruenbaum, Yosef; Medalia, Ohad

    2017-09-08

    The nuclear lamina is a nuclear peripheral meshwork that is mainly composed of nuclear lamins, although a small fraction of lamins also localizes throughout the nucleoplasm. Lamins are classified as type V intermediate filament (IF) proteins. Mutations in lamin genes cause at least 15 distinct human diseases, collectively termed laminopathies, including muscle, metabolic, and neuronal diseases, and can cause accelerated aging. Most of these mutations are in the LMNA gene encoding A-type lamins. A growing number of nuclear proteins are known to bind lamins and are implicated in both nuclear and cytoskeletal organization, mechanical stability, chromatin organization, signaling, gene regulation, genome stability, and cell differentiation. Recent studies reveal the organization of the lamin filament meshwork in somatic cells where they assemble as tetramers in cross-section of the filaments. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. POSSIBLE EXPERIMENTS ON WAVE FUNCTION LOCALIZATION DUE TO COMPTON SCATTERING

    SciTech Connect

    Aleksandrov, Alexander V; Danilov, Viatcheslav V; Gorlov, Timofey V; Liu, Yun; Shishlo, Andrei P; Nagaitsev,

    2013-01-01

    The reduction of a particle s wave function in the process of radiation or light scattering is a longstanding problem. Its solution will give a clue on processes that form, for example, wave functions of electrons constantly emitting synchrotron radiation quanta in storage rings. On a more global scale, it may shed light on wave function collapse due to the process of measurement. In this paper we consider various experimental options using Fermilab electron beams and a possible electron beam from the SNS linac and lasers to detect electron wave function change due to Compton scattering.

  12. 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.

  13. Potential applications of low-energy shock waves in functional urology.

    PubMed

    Wang, Hung-Jen; Cheng, Jai-Hong; Chuang, Yao-Chi

    2017-08-01

    A shock wave, which carries energy and can propagate through a medium, is a type of continuous transmitted sonic wave with a frequency of 16 Hz-20 MHz. It is accompanied by processes involving rapid energy transformations. The energy associated with shock waves has been harnessed and used for various applications in medical science. High-energy extracorporeal shock wave therapy is the most successful application of shock waves, and has been used to disintegrate urolithiasis for 30 years. At lower energy levels, however, shock waves have enhanced expression of vascular endothelial growth factor, endothelial nitric oxide synthase, proliferating cell nuclear antigen, chemoattractant factors and recruitment of progenitor cells; shock waves have also improved tissue regeneration. Low-energy shock wave therapy has been used clinically with musculoskeletal disorders, ischemic cardiovascular disorders and erectile dysfunction, through the mechanisms of neovascularization, anti-inflammation and tissue regeneration. Furthermore, low-energy shock waves have been proposed to temporarily increase tissue permeability and facilitate intravesical drug delivery. The present review article provides information on the basics of shock wave physics, mechanisms of action on the biological system and potential applications in functional urology. © 2017 The Japanese Urological Association.

  14. Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections.

    PubMed

    Meek, Garrett A; Levine, Benjamin G

    2016-05-14

    We demonstrate that though exact in principle, the expansion of the total molecular wave function as a sum over adiabatic Born-Oppenheimer (BO) vibronic states makes inclusion of the second-derivative nonadiabatic energy term near conical intersections practically problematic. In order to construct a well-behaved molecular wave function that has density at a conical intersection, the individual BO vibronic states in the summation must be discontinuous. When the second-derivative nonadiabatic terms are added to the Hamiltonian, singularities in the diagonal BO corrections (DBOCs) of the individual BO states arise from these discontinuities. In contrast to the well-known singularities in the first-derivative couplings at conical intersections, these singularities are non-integrable, resulting in undefined DBOC matrix elements. Though these singularities suggest that the exact molecular wave function may not have density at the conical intersection point, there is no physical basis for this constraint. Instead, the singularities are artifacts of the chosen basis of discontinuous functions. We also demonstrate that continuity of the total molecular wave function does not require continuity of the individual adiabatic nuclear wave functions. We classify nonadiabatic molecular dynamics methods according to the constraints placed on wave function continuity and analyze their formal properties. Based on our analysis, it is recommended that the DBOC be neglected when employing mixed quantum-classical methods and certain approximate quantum dynamical methods in the adiabatic representation.

  15. Quantification of Uncertainties in Nuclear Density Functional Theory

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

    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.

  16. 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.

  17. Six Impossible Things: Fractional Charge From Laughlin's Wave Function

    SciTech Connect

    Shrivastava, Keshav N.

    2010-12-23

    The Laughlin's wave function is found to be the zero-energy ground state of a {delta}-function Hamiltonian. The finite negative value of the ground state energy which is 91 per cent of Wigner value, can be obtained only when Coulomb correlations are introduced. The Laughlin's wave function is of short range and it overlaps with that of the exact wave functions of small (number of electrons 2 or 5) systems. (i) It is impossible to obtain fractional charge from Laughlin's wave function. (ii) It is impossible to prove that the Laughlin's wave function gives the ground state of the Coulomb Hamiltonian. (iii) It is impossible to have particle-hole symmetry in the Laughlin's wave function. (iv) It is impossible to derive the value of m in the Laughlin's wave function. The value of m in {psi}{sub m} can not be proved to be 3 or 5. (v) It is impossible to prove that the Laughlin's state is incompressible because the compressible states are also likely. (vi) It is impossible for the Laughlin's wave function to have spin. This effort is directed to explain the experimental data of quantum Hall effect in GaAs/AlGaAs.

  18. 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.

  19. 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.

  20. Imaging the wave functions of adsorbed molecules.

    PubMed

    Lüftner, Daniel; Ules, Thomas; Reinisch, Eva Maria; Koller, Georg; Soubatch, Serguei; Tautz, F Stefan; Ramsey, Michael G; Puschnig, Peter

    2014-01-14

    The basis for a quantum-mechanical description of matter is electron wave functions. For atoms and molecules, their spatial distributions and phases are known as orbitals. Although orbitals are very powerful concepts, experimentally only the electron densities and -energy levels are directly observable. Regardless whether orbitals are observed in real space with scanning probe experiments, or in reciprocal space by photoemission, the phase information of the orbital is lost. Here, we show that the experimental momentum maps of angle-resolved photoemission from molecular orbitals can be transformed to real-space orbitals via an iterative procedure which also retrieves the lost phase information. This is demonstrated with images obtained of a number of orbitals of the molecules pentacene (C22H14) and perylene-3,4,9,10-tetracarboxylic dianhydride (C24H8O6), adsorbed on silver, which are in excellent agreement with ab initio calculations. The procedure requires no a priori knowledge of the orbitals and is shown to be simple and robust.

  1. 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

  2. Real no-boundary wave function in Lorentzian quantum cosmology

    NASA Astrophysics Data System (ADS)

    Dorronsoro, J. Diaz; Halliwell, J. J.; Hartle, J. B.; Hertog, T.; Janssen, O.

    2017-08-01

    It is shown that the standard no-boundary wave function has a natural expression in terms of a Lorentzian path integral with its contour defined by Picard-Lefschetz theory. The wave function is real, satisfies the Wheeler-DeWitt equation and predicts an ensemble of asymptotically classical, inflationary universes with nearly-Gaussian fluctuations and with a smooth semiclassical origin.

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

    PubMed

    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.

  4. 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

  5. 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.}

  6. Nuclear reactions in shock wave front during supernova events

    NASA Technical Reports Server (NTRS)

    Lavrukhina, A. K.

    1985-01-01

    The new unique isotopic anomalous coponent of Xe(XeX) was found in the carbonaceous chondrites. It is enriched in light shielded isotopes (124Xe and 126Xe) and in heavy nonshielded isotopes (134Xe and 136Xe. All characteristics of Xe-X can be explained by a model of nucleosynthesis of the Xe isotopes in shock wave front passed through the He envelope during supernova events. The light isotopes are created by p process and the heavy isotopes are created by n process (slow r process). They were captured with high temperature carbon grains condensing by supernova shock waves.

  7. 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.

  8. 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.

  9. Modeling Regional Seismic Waves From Underground Nuclear Explosion

    DTIC Science & Technology

    1988-05-09

    D’information L’UGGI 2e Ane6, 248-251. Lehmann, I., (1957). On L. as read in North American Records, Annali di Geofisica . 10, 1-28. Lysmer, J., Drake, L. A...9, 19-36. Savarensky, E., Valdner, N., (1960). Observations of L. and R, Waves from the Black Sea Basin Earthquakes, Annali di Geofisica , 13, pp. 129

  10. 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.

  11. Calculation of electronic excitations using wave-function in wave-function frozen-density embedding.

    PubMed

    Höfener, Sebastian; Visscher, Lucas

    2012-11-28

    Recently, a general framework suitable for general frozen-density embedding (FDE) methods was published [S. Höfener, A. S. P. Gomes, and L. Visscher, J. Chem. Phys. 136, 044104 (2012)]. In the present article, we report the fragmentation of a supermolecule while treating all subsystems with coupled-cluster theory and the interaction of the subsystems with density-functional theory. This variant is denoted wave-function theory in wave-function theory FDE, or coupled-cluster theory in coupled-cluster theory FDE. Main target of this approach is not the embedding of a single molecule in large solvation shells, but rather the possibility to divide a complex system consisting of several molecules when all subsystems are to be treated with, e.g., coupled-cluster methods to provide a balanced and unbiased description. We present numerical results for hydrogen-bonded complexes which exhibit rather strong interactions. Cases with weakly interacting subsystems are expected to exhibit even higher accuracy. This facilitates the study of properties of larger complexes such as DNA base pairs with coupled-cluster methods.

  12. Calculation of electronic excitations using wave-function in wave-function frozen-density embedding

    NASA Astrophysics Data System (ADS)

    Höfener, Sebastian; Visscher, Lucas

    2012-11-01

    Recently, a general framework suitable for general frozen-density embedding (FDE) methods was published [S. Höfener, A. S. P. Gomes, and L. Visscher, J. Chem. Phys. 136, 044104 (2012)], 10.1063/1.3675845. In the present article, we report the fragmentation of a supermolecule while treating all subsystems with coupled-cluster theory and the interaction of the subsystems with density-functional theory. This variant is denoted wave-function theory in wave-function theory FDE, or coupled-cluster theory in coupled-cluster theory FDE. Main target of this approach is not the embedding of a single molecule in large solvation shells, but rather the possibility to divide a complex system consisting of several molecules when all subsystems are to be treated with, e.g., coupled-cluster methods to provide a balanced and unbiased description. We present numerical results for hydrogen-bonded complexes which exhibit rather strong interactions. Cases with weakly interacting subsystems are expected to exhibit even higher accuracy. This facilitates the study of properties of larger complexes such as DNA base pairs with coupled-cluster methods.

  13. Linear response of homogeneous nuclear matter with energy density functionals

    NASA Astrophysics Data System (ADS)

    Pastore, A.; Davesne, D.; Navarro, J.

    2015-03-01

    Response functions of infinite nuclear matter with arbitrary isospin asymmetry are studied in the framework of the random phase approximation. The residual interaction is derived from a general nuclear Skyrme energy density functional. Besides the usual central, spin-orbit and tensor terms it could also include other components as new density-dependent terms or three-body terms. Algebraic expressions for the response functions are obtained from the Bethe-Salpeter equation for the particle-hole propagator. Applications to symmetric nuclear matter, pure neutron matter and asymmetric nuclear matter are presented and discussed. Spin-isospin strength functions are analyzed for varying conditions of density, momentum transfer, isospin asymmetry, and temperature for some representative Skyrme functionals. Particular attention is paid to the discussion of instabilities, either real or unphysical, which could manifest in finite nuclei.

  14. 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

  15. Wave functions and two-electron probability distributions of the Hooke's-law atom and helium

    SciTech Connect

    O'Neill, Darragh P.; Gill, Peter M. W.

    2003-08-01

    The Hooke's-law atom (hookium) provides an exactly soluble model for a two-electron atom in which the nuclear-electron Coulombic attraction has been replaced by a harmonic one. Starting from the known exact position-space wave function for the ground state of hookium, we present the momentum-space wave function. We also look at the intracules, two-electron probability distributions, for hookium in position, momentum, and phase space. These are compared with the Hartree-Fock results and the Coulomb holes (the difference between the exact and Hartree-Fock intracules) in position, momentum, and phase space are examined. We then compare these results with analogous results for the ground state of helium using a simple, explicitly correlated wave function.

  16. 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.

  17. Estimating Subglacial Structure Using P-Wave Receiver Functions

    NASA Astrophysics Data System (ADS)

    Chai, C.; Ammon, C. J.; Anandakrishnan, S.; Ramirez, C.; Nyblade, A.

    2017-02-01

    Reverberations of teleseismic compressional (P-) waves within a glacier or ice sheet may mask signals associated with crustal structure beneath the ice. We remove the signal associated with the ice from teleseismic P-waves using a wavefield downward continuation and decomposition technique that depends on known ice layer properties such as ice thickness, velocity, and attenuation. We test the method using data from nine stations in Antarctica and one station in Greenland. We deconvolve the downward-continued seismic wave vectors to create P-wave receiver functions that minimize the ice-layer reverberations in order to better measure signals from deeper structures. The subsurface P-wave receiver functions have similar sensitivities to crustal structure as those calculated from stations installed on bedrock. Synthetic experiments indicate subsurface P-wave receiver functions can constrain crustal structure more tightly than surface P-wave receiver functions when ice layer properties are known. We model the subsurface P-wave receiver functions using a Markov chain Monte Carlo inversion and constrain the product of crustal thickness and the column-average crustal-slowness beneath the stations. Our subglacial shear-speed and thickness estimates are consistent with previous investigations at most stations. At station SUMG in south-central Greenland, our results suggest a thicker crust than from previous estimates.

  18. Estimating subglacial structure using P-wave receiver functions

    NASA Astrophysics Data System (ADS)

    Chai, C.; Ammon, C. J.; Anandakrishnan, S.; Ramirez, C.; Nyblade, A.

    2017-05-01

    Reverberations of teleseismic compressional (P-) waves within a glacier or ice sheet may mask signals associated with crustal structure beneath the ice. We remove the signal associated with the ice from teleseismic P-waves using a wavefield downward continuation and decomposition technique that depends on known ice layer properties such as ice thickness, velocity, and attenuation. We test the method using data from nine stations in Antarctica and one station in Greenland. We deconvolve the downward-continued seismic wave vectors to create P-wave receiver functions that minimize the ice-layer reverberations in order to better measure signals from deeper structures. The subsurface P-wave receiver functions have similar sensitivities to crustal structure as those calculated from stations installed on bedrock. Synthetic experiments indicate subsurface P-wave receiver functions can constrain crustal structure more tightly than surface P-wave receiver functions when ice layer properties are known. We model the subsurface P-wave receiver functions using a Markov chain Monte Carlo inversion and constrain the product of crustal thickness and the column-average crustal-slowness beneath the stations. Our subglacial shear speed and thickness estimates are consistent with previous investigations at most stations. At station SUMG in south-central Greenland, our results suggest a thicker crust than from previous estimates.

  19. Density functional calculations of spin-wave dispersion curves.

    NASA Astrophysics Data System (ADS)

    Kleinman, Leonard; Niu, Qian

    1998-03-01

    Extending the density functional method of Kubler et al( J. Kubler et al, J. Phys. F 18, 469 (1983) and J. Phys. Condens. Matter 1, 8155 (1989). ) for calcuating spin density wave ground states (but not making their atomic sphere approximation which requires a constant spin polarization direction in each WS sphere) we dicuss the calculation of frozen spin-wave eigenfunctions and their total energies. From these and the results of Niu's talk, we describe the calculation of spin-wave frequencies.

  20. Nuclear Employment Planning. Volume 2. Functional Description

    DTIC Science & Technology

    1990-12-01

    Acquire, Maintain, And Transmit Information ( Process 1.0.) Section 1 Assess Situation (Process 2.0.) Section 2 Determine Concept Of Nuclear Employment...information concerning the process. 4.1.1.3 Consider Preclusion Information PROCESS DESCRIPTION: To adjust weapon aimpoints and/or yields based on... Information . PROCESS DESCRIPTION: To acquire information by hearing, seeing, reading, or any other method. (ATCCS FD, Vol 111, Book 1, Tab 2, p. 2) INPUTS

  1. Symmetry-projected wave functions in quantum Monte Carlo calculations

    NASA Astrophysics Data System (ADS)

    Shi, Hao; Jiménez-Hoyos, Carlos A.; Rodríguez-Guzmán, R.; Scuseria, Gustavo E.; Zhang, Shiwei

    2014-03-01

    We consider symmetry-projected Hartree-Fock trial wave functions in constrained-path Monte Carlo (CPMC) calculations. Previous CPMC calculations have mostly employed Hartree-Fock (HF) trial wave functions, restricted or unrestricted. The symmetry-projected HF approach results in a hierarchy of wave functions with increasing quality: the more symmetries that are broken and restored in a self-consistent manner, the higher the quality of the trial wave function. This hierarchy is approximately maintained in CPMC calculations: the accuracy in the energy increases and the statistical variance decreases when further symmetries are broken and restored. Significant improvement is achieved in CPMC with the best symmetry-projected trial wave functions over those from simple HF. We analyze and quantify the behavior using the two-dimensional repulsive Hubbard model as an example. In the sign-problem-free region, where CPMC can be made exact but a constraint is deliberately imposed here, spin-projected wave functions remove the constraint bias. Away from half filling, spatial symmetry restoration in addition to that of the spin leads to highly accurate results from CPMC. Since the computational cost of symmetry-projected HF trial wave functions in CPMC can be made to scale algebraically with system size, this provides a potentially general approach for accurate calculations in many-fermion systems.

  2. 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.

  3. Functions and operations of nuclear power plant crews

    SciTech Connect

    Kisner, R.A.; Frey, P.R.

    1982-04-01

    This report summarizes the results of work performed at Oak Ridge National Laboratory and its subcontractors to define the functions, operations, and organization of nuclear power plant operating crews. The primary information sources used were ANS and IEEE standards, normal and emergency operating procedures from nuclear power plants, interviews, and literature reviews. The function and organization of operating crews for several plants are discussed genericly. The report covers a wide spectrum of topics including review of standards affecting human factors in the control room, influence of automation on operator functions, classification of operator functions, function of operator at onset of emergency, crew organization, work-induced stress, and operator acceptance of his role.

  4. Nuclear shieldings with the SSB-D functional.

    PubMed

    Armangué, Lluís; Solà, Miquel; Swart, Marcel

    2011-02-24

    The recently reported SSB-D functional [J. Chem. Phys. 2009, 131, 094103] is used to check the performance for obtaining nuclear magnetic resonance (NMR) shielding constants. Four different databases were studied, which contain a diversity of molecules and nuclear shielding constants. The SSB-D functional is compared with its "parent" functionals (PBE, OPBE), the KT2 functional that was designed specially for NMR applications and the coupled cluster CCSD(T) method. The best performance for the experimentally most-used elements ((1)H, (13)C) is obtained for the SSB-D and KT2 functionals.

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

    PubMed

    Hyeon-Deuk, Kim; Ando, Koji

    2014-05-07

    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.

  6. 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.

  7. Gutzwiller wave function for a model of strongly interacting bosons

    SciTech Connect

    Krauth, W. ); Caffarel, M. Laboratoire Dynamique des Interactions Moleculaires, Universite Paris VI, F-75252 Paris CEDEX 05 ); Bouchaud, J. )

    1992-02-01

    We study a model of strongly interacting lattice bosons with a Gutzwiller-type wave function that contains only on-site correlations. The variational energy and the condensate fraction associated with the variational wave function are exactly evaluated for both finite and infinite systems and compared with exact quantum Monte Carlo results in two dimensions. This ansatz for the wave function gives the correct qualitative picture of the phase diagram of this system; at commensurate densities, this system enters a Mott-insulator phase for large values of the interaction.

  8. Wave functions of elliptical quantum dots in a magnetic field

    NASA Astrophysics Data System (ADS)

    Zhou, Daming; Lorke, Axel

    2015-03-01

    We use the variational principle to obtain the wave functions of elliptical quantum dots under the influence of an external magnetic field. For the first excited states, whose wave functions have recently been mapped experimentally, we find a simple expression, based on a linear combination of the wave functions in the absence of a magnetic field. The results illustrate how a magnetic field breaks the x-y symmetry and mixes the corresponding eigenstates. The obtained eigenenergies agree well with those obtained by more involved analytical and numerical methods.

  9. 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

  10. 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.

  11. Modeling Regional Seismic Waves from Underground Nuclear Explosion

    DTIC Science & Technology

    1989-05-15

    produces hybrid that allows only the modes common to both sets to appear mammograms due to the propagation of energy fromn a in the hybrid result. source...John J. Cipar Dr. Max Koontz Gl/LWH US Dept of Energy /DP 5 Hanscom AFB, MA 01731-5000 Forrestal Building 1000 Independence Avenue Washington, DC 20585...LQ wave at the surface both increase. At the same time, much of the modal Lg energy previously trapped in the continental crust is able to escape

  12. 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.

  13. Nuclear charge radii: density functional theory meets Bayesian neural networks

    NASA Astrophysics Data System (ADS)

    Utama, R.; Chen, Wei-Chia; Piekarewicz, J.

    2016-11-01

    The distribution of electric charge in atomic nuclei is fundamental to our understanding of the complex nuclear dynamics and a quintessential observable to validate nuclear structure models. The aim of this study is to explore a novel approach that combines sophisticated models of nuclear structure with Bayesian neural networks (BNN) to generate predictions for the charge radii of thousands of nuclei throughout the nuclear chart. A class of relativistic energy density functionals is used to provide robust predictions for nuclear charge radii. In turn, these predictions are refined through Bayesian learning for a neural network that is trained using residuals between theoretical predictions and the experimental data. Although predictions obtained with density functional theory provide a fairly good description of experiment, our results show significant improvement (better than 40%) after BNN refinement. Moreover, these improved results for nuclear charge radii are supplemented with theoretical error bars. We have successfully demonstrated the ability of the BNN approach to significantly increase the accuracy of nuclear models in the predictions of nuclear charge radii. However, as many before us, we failed to uncover the underlying physics behind the intriguing behavior of charge radii along the calcium isotopic chain.

  14. 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. Copyright © 2011 Elsevier Inc. All rights reserved.

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

    NASA Astrophysics Data System (ADS)

    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.

  16. Nuclear matrix - structure, function and pathogenesis.

    PubMed

    Wasąg, Piotr; Lenartowski, Robert

    2016-12-20

    The nuclear matrix (NM), or nuclear skeleton, is the non-chromatin, ribonucleoproteinaceous framework that is resistant to high ionic strength buffers, nonionic detergents, and nucleolytic enzymes. The NM fulfills a structural role in eukaryotic cells and is responsible for maintaining the shape of the nucleus and the spatial organization of chromatin. Moreover, the NM participates in several cellular processes, such as DNA replication/repair, gene expression, RNA transport, cell signaling and differentiation, cell cycle regulation, apoptosis and carcinogenesis. Short nucleotide sequences called scaffold/matrix attachment regions (S/MAR) anchor the chromatin loops to the NM proteins (NMP). The NMP composition is dynamic and depends on the cell type and differentiation stage or metabolic activity. Alterations in the NMP composition affect anchoring of the S/MARs and thus alter gene expression. This review aims to systematize information about the skeletal structure of the nucleus, with particular emphasis on the organization of the NM and its role in selected cellular processes. We also discuss several diseases that are caused by aberrant NM structure or dysfunction of individual NM elements.

  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. Comparative analyses of nuclear proteome: extending its function.

    PubMed

    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.

  19. General Green's function formalism for layered systems: Wave function approach

    NASA Astrophysics Data System (ADS)

    Zhang, Shu-Hui; Yang, Wen; Chang, Kai

    2017-02-01

    The single-particle Green's function (GF) of mesoscopic structures plays a central role in mesoscopic quantum transport. The recursive GF technique is a standard tool to compute this quantity numerically, but it lacks physical transparency and is limited to relatively small systems. Here we present a numerically efficient and physically transparent GF formalism for a general layered structure. In contrast to the recursive GF that directly calculates the GF through the Dyson equations, our approach converts the calculation of the GF to the generation and subsequent propagation of a scattering wave function emanating from a local excitation. This viewpoint not only allows us to reproduce existing results in a concise and physically intuitive manner, but also provides analytical expressions of the GF in terms of a generalized scattering matrix. This identifies the contributions from each individual scattering channel to the GF and hence allows this information to be extracted quantitatively from dual-probe STM experiments. The simplicity and physical transparency of the formalism further allows us to treat the multiple reflection analytically and derive an analytical rule to construct the GF of a general layered system. This could significantly reduce the computational time and enable quantum transport calculations for large samples. We apply this formalism to perform both analytical analysis and numerical simulation for the two-dimensional conductance map of a realistic graphene p -n junction. The results demonstrate the possibility of observing the spatially resolved interference pattern caused by negative refraction and further reveal a few interesting features, such as the distance-independent conductance and its quadratic dependence on the carrier concentration, as opposed to the linear dependence in uniform graphene.

  20. Function of nuclear membrane proteins in shaping the nuclear envelope integrity during closed mitosis.

    PubMed

    Yang, Hui-Ju; Iwamoto, Masaaki; Hiraoka, Yasushi; Haraguchi, Tokuko

    2017-04-08

    The nuclear envelope (NE) not only protects the genome from being directly accessed by detrimental agents but also regulates genome organization. Breaches in NE integrity threaten genome stability and impede cellular function. Nonetheless, the NE constantly remodels, and NE integrity is endangered in dividing or differentiating cells. Specifically, in unicellular eukaryotes undergoing closed mitosis, the NE expands instead of breaking down during chromosome segregation. The newly assembling nuclear pore complexes (NPCs) penetrate the existing NE in interphase. A peculiar example of NE remodeling during nuclear differentiation in Tetrahymena involves formation of the redundant NE and clustered NPCs. Even under these conditions, the NE remains intact. Many recent studies on unicellular organisms have revealed that nuclear membrane proteins, such as LEM-domain proteins, play a role in maintaining NE integrity. This review summarizes and discusses how nuclear membrane proteins participate in NE integrity.

  1. 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.

  2. Wave-function model for the CP violation in mesons

    NASA Astrophysics Data System (ADS)

    Saberi Fathi, S. M.; Courbage, M.; Durt, T.

    2017-10-01

    In this paper, we propose a simple quantum model of the kaons decay providing an estimate of the CP symmetry violation parameter. We use the two-level Friedrich's Hamiltonian model to obtain a good quantitative agreement with the experimental estimate of the violation parameter for neutral kaons. A temporal wave-function approach, based on an analogy with spatial wave-functions, plays a crucial role in our model.

  3. 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.

  4. 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.

  5. Variational wave-function study of the triangular lattice supersolid.

    PubMed

    Sen, Arnab; Dutt, Prasenjit; Damle, Kedar; Moessner, R

    2008-04-11

    We present a variational wave function which explains the behavior of the supersolid state formed by hard-core bosons on the triangular lattice. The wave function is a linear superposition of only and all configurations minimizing the repulsion between the bosons (which it thus implements as a hard constraint). Its properties can be evaluated exactly--in particular, the variational minimization of the energy yields (i) the surprising and initially controversial spontaneous density deviation from half-filling (ii) a quantitatively accurate estimate of the corresponding density wave (solid) order parameter.

  6. The human cytomegalovirus nuclear egress complex unites multiple functions: Recruitment of effectors, nuclear envelope rearrangement, and docking to nuclear capsids.

    PubMed

    Marschall, Manfred; Muller, Yves A; Diewald, Benedikt; Sticht, Heinrich; Milbradt, Jens

    2017-07-01

    Nuclear replication represents a common hallmark of herpesviruses achieved by a number of sequentially unrolled regulatory processes. A rate-limiting step is provided by nucleo-cytoplasmic capsid export, for which a defined multiregulatory protein complex, namely, the nuclear egress complex (NEC), is assembled comprising both viral and cellular components. The NEC regulates at least 3 aspects of herpesviral nuclear replication: (1) multimeric recruitment of NEC-associated effector proteins, (2) reorganization of the nuclear lamina and membranes, and (3) the docking to nuclear capsids. Here, we review published data and own experimental work that characterizes the NEC of HCMV and other herpesviruses. A systematic review of information on nuclear egress of HCMV compared to selected alpha-, beta-, and gamma-herpesviruses: proteomics-based approaches, high-resolution imaging techniques, and functional investigations. A large number of reports on herpesviral NECs have been published during the last two decades, focusing on protein-protein interactions, nuclear localization, regulatory phosphorylation, and functional validation. The emerging picture provides an illustrated example of well-balanced and sophisticated protein networking in virus-host interaction. Current evidence refined the view about herpesviral NECs. Datasets published for HCMV, murine CMV, herpes simplex virus, and Epstein-Barr virus illustrate the marked functional consistency in the way herpesviruses achieve nuclear egress. However, this compares with only limited sequence conservation of core NEC proteins and a structural conservation restricted to individual domains. The translational use of this information might help to define a novel antiviral strategy on the basis of NEC-directed small molecules. Copyright © 2017 John Wiley & Sons, Ltd.

  7. 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.

  8. Clustering and pasta phases in nuclear density functional theory

    DOE PAGES

    Schuetrumpf, Bastian; Zhang, Chunli; Nazarewicz, Witold

    2017-05-23

    Nuclear density functional theory is the tool of choice in describing properties of complex nuclei and intricate phases of bulk nucleonic matter. It is a microscopic approach based on an energy density functional representing the nuclear interaction. An attractive feature of nuclear DFT is that it can be applied to both finite nuclei and pasta phases appearing in the inner crust of neutron stars. While nuclear pasta clusters in a neutron star can be easily characterized through their density distributions, the level of clustering of nucleons in a nucleus can often be difficult to assess. To this end, we usemore » the concept of nucleon localization. We demonstrate that the localization measure provides us with fingerprints of clusters in light and heavy nuclei, including fissioning systems. Furthermore we investigate the rod-like pasta phase using twist-averaged boundary conditions, which enable calculations in finite volumes accessible by state of the art DFT solvers.« less

  9. 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

  10. The Surface Wave Magnitude for the 9 October 2006 North Korean Nuclear Explosion

    SciTech Connect

    Bonner, J; Herrmann, R; Harkrider, D; Pasyanos, M

    2008-03-11

    Surface waves were generated by the North Korean nuclear explosion of 9 October 2006 and recorded at epicentral distances up to 34 degrees, from which we estimated a surface wave magnitude (M{sub s}) of 2.94 with an interstation standard deviation of 0.17 magnitude units. The International Data Centre estimated a body wave magnitude (m{sub b}) of 4.1. This is the only explosion we have analyzed that was not easily screened as an explosion based on the differences between the M{sub s} and m{sub b} estimates. Additionally, this M{sub s} predicts a yield, based on empirical M{sub s}/Yield relationships, that is almost an order of magnitude larger then the 0.5 to 1 kiloton reported for this explosion. We investigate how emplacement medium effects on surface wave moment and magnitude may have contributed to the yield discrepancy.

  11. Functional renormalization group study of nuclear and neutron matter

    SciTech Connect

    Drews, Matthias; Weise, Wolfram

    2016-01-22

    A chiral model based on nucleons interacting via boson exchange is investigated. Fluctuation effects are included consistently beyond the mean-field approximation in the framework of the functional renormalization group. The liquid-gas phase transition of symmetric nuclear matter is studied in detail. No sign of a chiral restoration transition is found up to temperatures of about 100 MeV and densities of at least three times the density of normal nuclear matter. Moreover, the model is extended to asymmetric nuclear matter and the constraints from neutron star observations are discussed.

  12. Nuclear explosion seismic wave detection based on the fiber Bragg grating geophone

    NASA Astrophysics Data System (ADS)

    Wu, Jianhui; Yang, Kuntao; Xiang, Qiaolian; Zhang, Nanyang

    2008-12-01

    Fiber Bragg Grating (FBG) is a basic component in optical communications and optical sensing of strain or pressure or temperature. In this paper, a novel geophone based on FBG is designed and used in the system of nuclear explosion seismic wave detection. The detection principle is analyzed and the mechanical model is established. According to the characteristics of the nuclear explosion seismic wave and the demands of the detection system, the parameters of the novel FBG geophone are calculated, and the results show that the sensitivity coefficient is 0.54pm/ms-2 and the work frequency bands are 0~653Hz and 2830~3266Hz. The prototype detection system is devised and tested through the simulation seismic wave. The experiment indicates that, compared with the traditional electronic sensors, the system has higher sensitivity and stability, the start time of the seismic wave arrived the detection position can be surveyed accurately. Combined with the nuclear explosion detecting sub-system based on the radiation, the distance between the bomb location and the detector can be calculated accurately.

  13. Axisymmetric Wave Transfer Functions of Flexible Tubes

    NASA Astrophysics Data System (ADS)

    Pinnington, R. J.

    1997-07-01

    The input and transfer impedances of fluid-filled pipes are calculated by using a wave approach. The pipe walls can have orthotropic elastic properties associated with braided rubber hose. The input and transfer impedances of a water-filled plain rubber hose are plotted for zero pressurization and positive and negative pressure. It is found that the pressure for this case does not greatly affect the stiffness. Input and transfer impedances are also plotted for a braided rubber hose which demonstrates the significant pressure stiffening effects found in practice.

  14. 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.

  15. New Generation Nuclear Plant -- High Level Functions and Requirements

    SciTech Connect

    J. M. Ryskamp; E. J. Gorski; E. A. Harvego; S. T. Khericha; G. A. Beitel

    2003-09-01

    This functions and requirements (F&R) document was prepared for the Next Generation Nuclear Plant (NGNP) Project. The highest-level functions and requirements for the NGNP preconceptual design are identified in this document, which establishes performance definitions for what the NGNP will achieve. NGNP designs will be developed based on these requirements by commercial vendor(s).

  16. 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.

  17. Comparison of nuclear Hamiltonians using spectral function sum rules

    NASA Astrophysics Data System (ADS)

    Rios, A.; Carbone, A.; Polls, A.

    2017-07-01

    Background: The energy weighted sum rules of the single-particle spectral functions provide a quantitative understanding of the fragmentation of nuclear states due to short-range and tensor correlations. Purpose: The aim of this paper is to compare on a quantitative basis the single-particle spectral function generated by different nuclear Hamiltonians in symmetric nuclear matter using the first three energy-weighted moments. Method: The spectral functions are calculated in the framework of the self-consistent Green's function approach at finite temperature within a ladder resummation scheme. We analyze the first three moments of the spectral function and connect these to the correlations induced by the interactions between the nucleons in symmetric nuclear matter. In particular, the variance of the spectral function is directly linked to the dispersive contribution of the self-energy. The discussion is centered around two- and three-body chiral nuclear interactions, with and without renormalization, but we also provide results obtained with the traditional phase-shift-equivalent CD-Bonn and Av18 potentials. Results: The variance of the spectral function is particularly sensitive to the short-range structure of the force, with hard-core interactions providing large variances. Chiral forces yield variances which are an order of magnitude smaller and, when tamed using the similarity renormalization group, the variance reduces significantly and in proportion to the renormalization scale. The presence of three-body forces does not substantially affect the results. Conclusions: The first three moments of the spectral function are useful tools in analyzing the importance of correlations in nuclear ground states. In particular, the second-order moment provides a direct insight into dispersive contributions to the self-energy and its value is indicative of the fragmentation of single-particle states.

  18. Parametric dependence of ocean wave-radar modulation transfer functions

    NASA Technical Reports Server (NTRS)

    Plant, W. J.; Keller, W. C.; Cross, A.

    1983-01-01

    Microwave techniques at X and L band were used to determine the dependence of ocean-wave radar modulation transfer functions (MTFs) on various environmental and radar parameters during the Marine Remote Sensing experiment of 1979 (MARSEN 79). These MIF are presented, as are coherence functions between the AM and FM parts of the backscattered microwave signal. It is shown that they both depend on several of these parameters. Besides confirming many of the properties of transfer functions reported by previous authors, indications are found that MTFs decrease with increasing angle between wave propagation and antenna-look directions but are essentially independent of small changes in air-sea temperature difference. However, coherence functions are much smaller when the antennas are pointed perpendicular to long waves. It is found that X band transfer functions measured with horizontally polarized microwave radiation have larger magnitudes than those obtained by using vertical polarization.

  19. Parametric dependence of ocean wave-radar modulation transfer functions

    NASA Technical Reports Server (NTRS)

    Plant, W. J.; Keller, W. C.; Cross, A.

    1983-01-01

    Microwave techniques at X and L band were used to determine the dependence of ocean-wave radar modulation transfer functions (MTFs) on various environmental and radar parameters during the Marine Remote Sensing experiment of 1979 (MARSEN 79). These MIF are presented, as are coherence functions between the AM and FM parts of the backscattered microwave signal. It is shown that they both depend on several of these parameters. Besides confirming many of the properties of transfer functions reported by previous authors, indications are found that MTFs decrease with increasing angle between wave propagation and antenna-look directions but are essentially independent of small changes in air-sea temperature difference. However, coherence functions are much smaller when the antennas are pointed perpendicular to long waves. It is found that X band transfer functions measured with horizontally polarized microwave radiation have larger magnitudes than those obtained by using vertical polarization.

  20. Increasing phosphatidylinositol (4,5) bisphosphate biosynthesis affects plant nuclear lipids and nuclear functions

    PubMed Central

    Dieck, Catherine B.; Wood, Austin; Brglez, Irena; Rojas-Pierce, Marcela; Boss, Wendy F.

    2013-01-01

    In order to characterize the effects of increasing phosphatidylinositol(4,5)bisphosphate (PtdIns(4,5)P2) on nuclear function, we expressed the human phosphatidylinositol (4)-phosphate 5-kinase (HsPIP5K) 1α in Nicotiana tabacum (NT) cells. The HsPIP5K-expressing (HK) cells had altered nuclear lipids and nuclear functions. HK cell nuclei had 2-fold increased PIP5K activity and increased steady state PtdIns(4,5)P2. HK nuclear lipid classes showed significant changes compared to NT (wild type) nuclear lipid classes including increased phosphatidylserine (PtdSer) and phosphatidylcholine (PtdCho) and decreased lysolipids. Lipids isolated from protoplast plasma membranes (PM) were also analyzed and compared with nuclear lipids. The lipid profiles revealed similarities and differences in the plasma membrane and nuclei from the NT and transgenic HK cell lines. A notable characteristic of nuclear lipids from both cell types is that PtdIns accounts for a higher mol % of total lipids compared to that of the protoplast PM lipids. The lipid molecular species composition of each lipid class was also analyzed for nuclei and protoplast PM samples. To determine whether expression of HsPIP5K1α affected plant nuclear functions, we compared DNA replication, histone 3 lysine 9 acetylation (H3K9ac) and phosphorylation of the retinoblastoma protein (pRb) in NT and HK cells. The HK cells had a measurable decrease in DNA replication, histone H3K9 acetylation and pRB phosphorylation. PMID:22677448

  1. Increasing phosphatidylinositol (4,5) bisphosphate biosynthesis affects plant nuclear lipids and nuclear functions.

    PubMed

    Dieck, Catherine B; Wood, Austin; Brglez, Irena; Rojas-Pierce, Marcela; Boss, Wendy F

    2012-08-01

    In order to characterize the effects of increasing phosphatidylinositol(4,5)bisphosphate (PtdIns(4,5)P(2)) on nuclear function, we expressed the human phosphatidylinositol (4)-phosphate 5-kinase (HsPIP5K) 1α in Nicotiana tabacum (NT) cells. The HsPIP5K-expressing (HK) cells had altered nuclear lipids and nuclear functions. HK cell nuclei had 2-fold increased PIP5K activity and increased steady state PtdIns(4,5)P(2). HK nuclear lipid classes showed significant changes compared to NT (wild type) nuclear lipid classes including increased phosphatidylserine (PtdSer) and phosphatidylcholine (PtdCho) and decreased lysolipids. Lipids isolated from protoplast plasma membranes (PM) were also analyzed and compared with nuclear lipids. The lipid profiles revealed similarities and differences in the plasma membrane and nuclei from the NT and transgenic HK cell lines. A notable characteristic of nuclear lipids from both cell types is that PtdIns accounts for a higher mol% of total lipids compared to that of the protoplast PM lipids. The lipid molecular species composition of each lipid class was also analyzed for nuclei and protoplast PM samples. To determine whether expression of HsPIP5K1α affected plant nuclear functions, we compared DNA replication, histone 3 lysine 9 acetylation (H3K9ac) and phosphorylation of the retinoblastoma protein (pRb) in NT and HK cells. The HK cells had a measurable decrease in DNA replication, histone H3K9 acetylation and pRB phosphorylation. Copyright © 2012 Elsevier Masson SAS. All rights reserved.

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

    SciTech Connect

    Múnera, Héctor A.

    2016-07-07

    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.

  3. 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.

  4. Fast Reactor Based on the Self-Sustained Regime of Nuclear Burning Wave

    NASA Astrophysics Data System (ADS)

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

    An approach for description of the space-time evolution of self-organizing nuclear burning wave regime in a critical fast neutron reactor has been developed in the effective multigroup approximation. It is based on solving the non-stationary neutron diffusion equation together with the fuel burn-up equations and the equations of nuclear kinetics for delayed neutron precursor nuclei. The calculations have been carried out in the plane one-dimensional model for a two-zone homogeneous reactor with the metal U-Pu fuel, the Na coolant and constructional material Fe.

  5. Thermal diffusivity and nuclear spin relaxation: a continuous wave free precession NMR study.

    PubMed

    Venâncio, Tiago; Engelsberg, Mario; Azeredo, Rodrigo B V; Colnago, Luiz A

    2006-07-01

    Continuous wave free precession (CWFP) nuclear magnetic resonance is capable of yielding quantitative and easily obtainable information concerning the kinetics of processes that change the relaxation rates of the nuclear spins through the action of some external agent. In the present application, heat flow from a natural rubber sample to a liquid nitrogen thermal bath caused a large temperature gradient leading to a non-equilibrium temperature distribution. The ensuing local changes in the relaxation rates could be monitored by the decay of the CWFP signals and, from the decays, it was possible to ascertain the prevalence of a diffusive process and to obtain an average value for the thermal diffusivity.

  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. The nuclear pore complex: understanding its function through structural insight.

    PubMed

    Beck, Martin; Hurt, Ed

    2017-02-01

    Nuclear pore complexes (NPCs) fuse the inner and outer nuclear membranes to form channels across the nuclear envelope. They are large macromolecular assemblies with a complex composition and diverse functions. Apart from facilitating nucleocytoplasmic transport, NPCs are involved in chromatin organization, the regulation of gene expression and DNA repair. Understanding the molecular mechanisms underlying these functions has been hampered by a lack of structural knowledge about the NPC. The recent convergence of crystallographic and biochemical in vitro analysis of nucleoporins (NUPs), the components of the NPC, with cryo-electron microscopic imaging of the entire NPC in situ has provided first pseudo-atomic view of its central core and revealed that an unexpected network of short linear motifs is an important spatial organization principle. These breakthroughs have transformed the way we understand NPC structure, and they provide an important base for functional investigations, including the elucidation of the molecular mechanisms underlying clinically manifested mutations of the nucleocytoplasmic transport system.

  8. Rossby wave Green's functions in an azimuthal wind

    NASA Astrophysics Data System (ADS)

    Webb, G. M.; Duba, C. T.; Hu, Q.

    2016-05-01

    Green's functions for Rossby waves in an azimuthal wind are obtained, in which the stream-function $\\psi$ depends on $r$, $\\phi$ and $t$, where $r$ is cylindrical radius and $\\phi$ is the azimuthal angle in the $\\beta$-plane relative to the easterly direction, in which the $x$-axis points east and the $y$-axis points north. The Rossby wave Green's function with no wind is obtained using Fourier transform methods, and is related to the previously known Green's function obtained for this case, which has a different but equivalent form to the Green's function obtained in the present paper. We emphasize the role of the wave eikonal solution, which plays an important role in the form of the solution. The corresponding Green's function for a rotating wind with azimuthal wind velocity ${\\bf u}=\\Omega r{\\bf e}_\\phi$ ($\\Omega=$const.) is also obtained by Fourier methods, in which the advective rotation operator in position space is transformed to a rotation operator in ${\\bf k}$ transform space. The finite Rossby deformation radius is included in the analysis. The physical characteristics of the Green's functions are delineated and applications are discussed. In the limit as $\\Omega\\to 0$, the rotating wind Green's function reduces to the Rossby wave Green function with no wind.

  9. Delta function excitation of waves in the earth's ionosphere

    NASA Technical Reports Server (NTRS)

    Vidmar, R. J.; Crawford, F. W.; Harker, K. J.

    1983-01-01

    Excitation of the earth's ionosphere by delta function current sheets is considered, and the temporal and spatial evolution of wave packets is analyzed for a two-component collisional F2 layer. Approximations of an inverse Fourier-Laplace transform via saddle point methods provide plots of typical wave packets. These illustrate cold plasma wave theory and may be used as a diagnostic tool since it is possible to relate specific features, e.g., the frequency of a modulation envelope, to plasma parameters such as the electron cyclotron frequency. It is also possible to deduce the propagation path length and orientation of a remote radio beacon.

  10. 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.

  11. Joint Resummation for TMD Wave Function of Pion

    NASA Astrophysics Data System (ADS)

    Wang, Yu-Ming

    2015-02-01

    QCD corrections to transverse-momentum-dependent pion wave function develop the mixed double logarithm ln x ln(ζ P2/k_T^2), when the gluon emission is collinear to the energetic pion. The fist scheme-independent kT factorization formula for γ*π → γ transition form factor is achieved by resumming all the enhanced logarithms for both pion wave function and short-distance coefficient function. High-order QCD corrections and transfer momentum √ {Q2} dependence of pion form factor are found to be distinct from those predicted by the conventional resummation approach.

  12. Classical hallmarks of macroscopic quantum wave function propagation

    NASA Astrophysics Data System (ADS)

    Feagin, James M.; Briggs, John S.

    2017-08-01

    The precise connection between quantum wave functions and the underlying classical trajectories often is presented rather vaguely by practitioners of quantum mechanics. Here we demonstrate, with simple examples, that the imaging theorem (IT) based on the semiclassical propagator provides a precise connection. Wave functions are preserved out to macroscopic distances but the variables, position and momentum of these functions describe classical trajectories. We show that the IT, based on an overtly time-dependent picture, provides a strategy alternative to standard scattering theory with which to compare experimental results to theory.

  13. Nuclear correlation functions in lattice QCD

    SciTech Connect

    Detmold, William; Orginos, Konstantinos

    2013-06-01

    We consider the problem of calculating the large number of Wick contractions necessary to compute states with the quantum numbers of many baryons in lattice QCD. We consider a constructive approach and a determinant-based approach and show that these methods allow the required contractions to be performed for certain choices of interpolating operators. Examples of correlation functions computed using these techniques are shown for the quantum numbers of the light nuclei, $^4$He, $^8$Be, $^{12}$C, $^{16}$O and $^{28}$Si.

  14. 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.

  15. Simulation of Nuclear Underwater Shock Waves Using Planar Sources: An Investigation of Feasibility.

    DTIC Science & Technology

    1980-04-30

    source that can develop a fast risetime (-, 0.1 ms), long pulse width (-- 5 ms) pressure pulse at a constant amplitude of - 20 MPa (3000 psi) in...to push a steel plate; and (3) sealing the charge edges as means to ensure a more constant pressure source for the simulation technique. The computed...51 2 LIST OF ILLUSTRATIONS Figure Page 1.1 Pressure Pulse in Water Typical of a Nuclear Underwater Shock Wave, and Desired to be Simulated with

  16. An Approximate Analytical Model of Shock Waves from Underground Nuclear Explosions

    DTIC Science & Technology

    1990-12-01

    Technical Information Service (NTIS). Qualified requestors may obtain additional copies from the Defense Technical Information Center. All others should...apply to the National Technical Information Service. If your address has changed, or .if you wish to be removed from the mailing list, or if the addressee...NUMBERS An Approximate Analvtlial Model of Shock Waves from Contract Underground Nuclear Explosions F19628-88-K-0040

  17. Electron scattering form factors of stretched transitions using Woods-Saxon wave functions

    NASA Astrophysics Data System (ADS)

    Clausen, B. L.; Peterson, R. J.; Lindgren, R. A.

    1988-08-01

    Electron scattering form factors for stretched transitions are computed using radial wave functions from realistic nuclear potentials, including the unbound nature of final states above particle decay thresholds. The calculated form factors are compared to data for 4- states in 12C, 14C, and 16O, 6- states in 24Mg, 26Mg, and 28Si, 8- states in 48Ca, 54Fe, 58Ni, and 60Ni, the 10- state in 90Zr, and the 14- state in 208Pb. We assess the fraction of the single-particle sum rule strengths using these realistic nuclear potentials in place of the standard results using harmonic oscillator wave functions. Appreciably greater fractions are obtained for low mass nuclei in the present work, totalling 105% of the sum strength for 12C and 81% for 16O. Much less damping of the magnetic strength is thus experimentally observed than is the case when oscillator wave functions are used for comparison. The results of including meson exchange currents in the analysis are also discussed.

  18. 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.

  19. Uncertainty Quantification and Propagation in Nuclear Density Functional Theory

    SciTech Connect

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

    2015-12-23

    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 efforts seek to better root nuclear DFT in the theory of nuclear forces (see Duguet et al., this Topical Issue), energy functionals remain semi-phenomenological constructions that depend on a set of parameters adjusted to experimental data in finite nuclei. In this paper, we review recent efforts 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.

  20. Nuclear pore function viewed with atomic force microscopy.

    PubMed

    Danker, T; Oberleithner, H

    2000-04-01

    In this review we focus on studies using atomic force microscopy (AFM) to describe the function of nuclear pore complexes (NPC). After a short introduction of AFM we follow the route of cargo molecules from the cytosol into the nucleus. AFM visualizes cargo before translocation into the nucleoplasm, cargo docking at the cytoplasmic NPC surface, cargo passing through the NPC and changes in NPC conformation in response to ATP, Calcium and pH. We discuss AFM experiments on nuclear envelopes on the basis of previous data obtained with more conventional techniques such as electron microscopy, confocal microscopy and other imaging techniques. Finally we draw attention to the recently developed nuclear hourglass technique that serves as a new electrophysiological approach to studying the structure-function relationship of NPC in combination with AFM at a molecular level.

  1. 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.

  2. 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.

  3. Two-center interferences and nuclear wave packet imaging in dissociating H2+ molecule

    NASA Astrophysics Data System (ADS)

    Picon, Antonio; Bahabad, Alon; Kapteyn, Henry C.; Murnane, Margaret M.; Becker, Andreas

    2011-05-01

    Double-slit like interferences similar to those observed by Young in his experiment with light appear also in the photoionization of diatomic molecules. The partial electron waves ejected from the two atomic centers of the molecule take the role of the coherent light waves emerging from the two holes in Youngs experiment. We analyze theoretically and numerically a pump-probe scenario with two attosecond pulses in the hydrogen molecular ion. The first attosecond pulse induces the dissociation of the molecule, the second attosecond pulse is ionizing the molecule. By varying the delay between the pump and probe pulses we show how the two-center interferences allow to image main features of the nuclear wave packet, namely its velocity, internuclear distance, and spreading. Supported by Postdoctoral Program of the Spanish Government and NSF.

  4. 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

  5. Nuclear structure and dynamics with density functional theory

    NASA Astrophysics Data System (ADS)

    Stetcu, Ionel

    2015-10-01

    Even in the absence of ab initio methods capable of tackling heavy nuclei without restrictions, one can obtain an ab initio description of ground-state properties by means of the density functional theory (DFT), and its extension to superfluid systems in its local variant, the superfluid local density approximation (SLDA). Information about the properties of excited states can be obtained in the same framework by using an extension to the time-dependent (TD) phenomena. Unlike other approaches in which the nuclear structure information is used as a separate input into reaction models, the TD approach treats on the same footing the nuclear structure and dynamics, and is well suited to provide more reliable description for a large number of processes involving heavy nuclei, from the nuclear response to electroweak probes, to nuclear reactions, such as neutron-induced reactions, or nuclear fusion and fission. Such processes, sometimes part of integrated nuclear systems, have important applications in astrophysics, energy production, global security, etc. In this talk, I will present the simulation of a simple reaction, that is the Coulomb excitation of a 238U nucleus, and discuss the application of the TD-DFT formalism to the description of induced fission. I gratefully acknowledge partial support of the U.S. Department of Energy through an Early Career Award of the LANL/LDRD Program.

  6. Multiple nuclear localization signals function in the nuclear import of the transcription factor Nrf2.

    PubMed

    Theodore, Melanie; Kawai, Yumiko; Yang, Jianqi; Kleshchenko, Yuliya; Reddy, Sekhar P; Villalta, Fernando; Arinze, Ifeanyi J

    2008-04-04

    Nuclear factor erythroid 2-related factor 2 (Nrf2) mediates the transcriptional response of cells to oxidative stress and is translocated into the nucleus following, or concomitant with, its activation by electrophiles or reactive oxygen species. The mechanism of its translocation into the nucleus is not entirely elucidated. Here we have identified two novel nuclear localization signal (NLS) motifs in murine Nrf2, one located near the N-terminal region (amino acid residues 42-53) and the other (residues 587-593) located near the C-terminal region. Imaging of green fluorescent protein (GFP)-tagged Nrf2 revealed that mutation(s) in any of these sequences resulted in decreased nuclear fluorescence intensity compared with the wild-type Nrf2 when Nrf2 activation was induced with the electrophile tert-butylhydroquinone. The mutations also impaired Nrf2-induced transactivation of antioxidant response element-driven reporter gene expression to the same extent as the Nrf2 construct bearing mutation in a previously identified bipartite NLS that maps at residues 494-511. When linked to GFP or to GFP-PEPCK-C each of the novel NLS motifs was sufficient to drive nuclear translocation of the fusion proteins. Co-immunoprecipitation assays demonstrated that importins alpha5 and beta1 associate with Nrf2, an interaction that was blocked by the nuclear import inhibitor SN50. SN50 also blocked tert-butylhydroquinone-induced nuclear fluorescence of GFP-Nrf2 in cells transfected with wild-type GFP-Nrf2. Overall these results reveal that multiple NLS motifs in Nrf2 function in its nuclear translocation in response to pro-oxidant stimuli and that the importin alpha-beta heterodimer nuclear import receptor system plays a critical role in the import process.

  7. 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…

  8. 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…

  9. Functional renormalization group studies of nuclear and neutron matter

    NASA Astrophysics Data System (ADS)

    Drews, Matthias; Weise, Wolfram

    2017-03-01

    Functional renormalization group (FRG) methods applied to calculations of isospin-symmetric and asymmetric nuclear matter as well as neutron matter are reviewed. The approach is based on a chiral Lagrangian expressed in terms of nucleon and meson degrees of freedom as appropriate for the hadronic phase of QCD with spontaneously broken chiral symmetry. Fluctuations beyond mean-field approximation are treated solving Wetterich's FRG flow equations. Nuclear thermodynamics and the nuclear liquid-gas phase transition are investigated in detail, both in symmetric matter and as a function of the proton fraction in asymmetric matter. The equations of state at zero temperature of symmetric nuclear matter and pure neutron matter are found to be in good agreement with advanced ab-initio many-body computations. Contacts with perturbative many-body approaches (in-medium chiral perturbation theory) are discussed. As an interesting test case, the density dependence of the pion mass in the medium is investigated. The question of chiral symmetry restoration in nuclear and neutron matter is addressed. A stabilization of the phase with spontaneously broken chiral symmetry is found to persist up to high baryon densities once fluctuations beyond mean-field are included. Neutron star matter including beta equilibrium is discussed under the aspect of the constraints imposed by the existence of two-solar-mass neutron stars.

  10. Towards reconciling structure and function in the nuclear pore complex

    PubMed Central

    Aebi, Ueli; Fahrenkrog, Birthe

    2008-01-01

    The spatial separation between the cytoplasm and the cell nucleus necessitates the continuous exchange of macromolecular cargo across the double-membraned nuclear envelope. Being the only passageway in and out of the nucleus, the nuclear pore complex (NPC) has the principal function of regulating the high throughput of nucleocytoplasmic transport in a highly selective manner so as to maintain cellular order and function. Here, we present a retrospective review of the evidence that has led to the current understanding of both NPC structure and function. Looking towards the future, we contemplate on how various outstanding effects and nanoscopic characteristics ought to be addressed, with the goal of reconciling structure and function into a single unified picture of the NPC. PMID:18228033

  11. Sharp Regularity Results for Coulombic Many-Electron Wave Functions

    NASA Astrophysics Data System (ADS)

    Fournais, Søren; Hoffmann-Ostenhof, Maria; Hoffmann-Ostenhof, Thomas; Sørensen, Thomas Østergaard

    2005-04-01

    We show that electronic wave functions ψ of atoms and molecules have a representation ψ=ϕ, where is an explicit universal factor, locally Lipschitz, and independent of the eigenvalue and the solution ψ itself, and ϕ has second derivatives which are locally in L∞. This representation turns out to be optimal as can already be demonstrated with the help of hydrogenic wave functions. The proofs of these results are, in an essential way, based on a new elliptic regularity result which is of independent interest. Some identities that can be interpreted as cusp conditions for second order derivatives of ψ are derived.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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. Copyright © 2016. Published by Elsevier Inc.

  18. Spin Density Matrices for Nuclear Density Functionals with Parity Violation

    NASA Astrophysics Data System (ADS)

    Barrett, Bruce; Giraud, Bertrand

    2010-11-01

    Within the context of the radial density functional [1], we apply the spin density matrix (SDM) used in atomic and molecular physics [2] to nuclear physics. The vector part of the SDM defines a ``hedgehog'' situation, which exists only if nuclear states contain some amount of parity violation. Thus, looking for the vector profile of the SDM could be used as a test for parity violation in nuclei. The difference between the scalar profile and the vector profile of the SDM will be illustrated by a toy model. [4pt] [1] B. G. Giraud, Phys. Rev. C 78, 014307 (2008).[0pt] [2] A. Goerling, Phys. Rev. A 47, 2783 (1993).

  19. 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.

  20. Optimization of quantum Monte Carlo wave functions by energy minimization.

    PubMed

    Toulouse, Julien; Umrigar, C J

    2007-02-28

    We study three wave function optimization methods based on energy minimization in a variational Monte Carlo framework: the Newton, linear, and perturbative methods. In the Newton method, the parameter variations are calculated from the energy gradient and Hessian, using a reduced variance statistical estimator for the latter. In the linear method, the parameter variations are found by diagonalizing a nonsymmetric estimator of the Hamiltonian matrix in the space spanned by the wave function and its derivatives with respect to the parameters, making use of a strong zero-variance principle. In the less computationally expensive perturbative method, the parameter variations are calculated by approximately solving the generalized eigenvalue equation of the linear method by a nonorthogonal perturbation theory. These general methods are illustrated here by the optimization of wave functions consisting of a Jastrow factor multiplied by an expansion in configuration state functions (CSFs) for the C2 molecule, including both valence and core electrons in the calculation. The Newton and linear methods are very efficient for the optimization of the Jastrow, CSF, and orbital parameters. The perturbative method is a good alternative for the optimization of just the CSF and orbital parameters. Although the optimization is performed at the variational Monte Carlo level, we observe for the C2 molecule studied here, and for other systems we have studied, that as more parameters in the trial wave functions are optimized, the diffusion Monte Carlo total energy improves monotonically, implying that the nodal hypersurface also improves monotonically.

  1. Optimization of quantum Monte Carlo wave functions by energy minimization

    NASA Astrophysics Data System (ADS)

    Toulouse, Julien; Umrigar, C. J.

    2007-02-01

    We study three wave function optimization methods based on energy minimization in a variational Monte Carlo framework: the Newton, linear, and perturbative methods. In the Newton method, the parameter variations are calculated from the energy gradient and Hessian, using a reduced variance statistical estimator for the latter. In the linear method, the parameter variations are found by diagonalizing a nonsymmetric estimator of the Hamiltonian matrix in the space spanned by the wave function and its derivatives with respect to the parameters, making use of a strong zero-variance principle. In the less computationally expensive perturbative method, the parameter variations are calculated by approximately solving the generalized eigenvalue equation of the linear method by a nonorthogonal perturbation theory. These general methods are illustrated here by the optimization of wave functions consisting of a Jastrow factor multiplied by an expansion in configuration state functions (CSFs) for the C2 molecule, including both valence and core electrons in the calculation. The Newton and linear methods are very efficient for the optimization of the Jastrow, CSF, and orbital parameters. The perturbative method is a good alternative for the optimization of just the CSF and orbital parameters. Although the optimization is performed at the variational Monte Carlo level, we observe for the C2 molecule studied here, and for other systems we have studied, that as more parameters in the trial wave functions are optimized, the diffusion Monte Carlo total energy improves monotonically, implying that the nodal hypersurface also improves monotonically.

  2. 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.

  3. 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. © 2015 Authors; published by Portland Press Limited.

  4. Nuclear cyclophilins affect spliceosome assembly and function in vitro

    PubMed Central

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

    2015-01-01

    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. PMID:25967372

  5. On the asymptotic evolution of finite energy Airy wave functions.

    PubMed

    Chamorro-Posada, P; Sánchez-Curto, J; Aceves, A B; McDonald, G S

    2015-06-15

    In general, there is an inverse relation between the degree of localization of a wave function of a certain class and its transform representation dictated by the scaling property of the Fourier transform. We report that in the case of finite energy Airy wave packets a simultaneous increase in their localization in the direct and transform domains can be obtained as the apodization parameter is varied. One consequence of this is that the far-field diffraction rate of a finite energy Airy beam decreases as the beam localization at the launch plane increases. We analyze the asymptotic properties of finite energy Airy wave functions using the stationary phase method. We obtain one dominant contribution to the long-term evolution that admits a Gaussian-like approximation, which displays the expected reduction of its broadening rate as the input localization is increased.

  6. Response functions for dimers and square-symmetric molecules in four-wave-mixing experiments with polarized light.

    PubMed

    Smith, Eric Ryan; Farrow, Darcie A; Jonas, David M

    2005-07-22

    Four-wave-mixing nonlinear-response functions are given for intermolecular and intramolecular vibrations of a perpendicular dimer and intramolecular vibrations of a square-symmetric molecule containing a doubly degenerate state. A two-dimensional particle-in-a-box model is used to approximate the electronic wave functions and obtain harmonic potentials for nuclear motion. Vibronic interactions due to symmetry-lowering distortions along Jahn-Teller active normal modes are discussed. Electronic dephasing due to nuclear motion along both symmetric and asymmetric normal modes is included in these response functions, but population transfer between states is not. As an illustration, these response functions are used to predict the pump-probe polarization anisotropy in the limit of impulsive excitation.

  7. Cardiac nuclear receptors: architects of mitochondrial structure and function.

    PubMed

    Vega, Rick B; Kelly, Daniel P

    2017-04-03

    The adult heart is uniquely designed and equipped to provide a continuous supply of energy in the form of ATP to support persistent contractile function. This high-capacity energy transduction system is the result of a remarkable surge in mitochondrial biogenesis and maturation during the fetal-to-adult transition in cardiac development. Substantial evidence indicates that nuclear receptor signaling is integral to dynamic changes in the cardiac mitochondrial phenotype in response to developmental cues, in response to diverse postnatal physiologic conditions, and in disease states such as heart failure. A subset of cardiac-enriched nuclear receptors serve to match mitochondrial fuel preferences and capacity for ATP production with changing energy demands of the heart. In this Review, we describe the role of specific nuclear receptors and their coregulators in the dynamic control of mitochondrial biogenesis and energy metabolism in the normal and diseased heart.

  8. Many-body Green functions in nuclear physics

    NASA Astrophysics Data System (ADS)

    Speth, J.; Lyutorovich, N.

    Many-body Green functions are a very efficient formulation of the many-body problem. We review the application of this method to nuclear physics problems. The formulas which can be derived are of general applicability, e.g., in self-consistent as well as in nonself-consistent calculations. With the help of the Landau renormalization, one obtains relations without any approximations. This allows to apply conservation laws which lead to important general relations. We investigate the one-body and two-body Green functions as well as the three-body Green function and discuss their connection to nuclear observables. The generalization to systems with pair correlations are also presented. Numerical examples are compared with experimental data.

  9. 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.

  10. 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

  11. "Sloppy" nuclear energy density functionals. II. Finite nuclei

    NASA Astrophysics Data System (ADS)

    Nikšić, T.; Imbrišak, M.; Vretenar, D.

    2017-05-01

    A study of parameter sensitivity of nuclear energy density functionals, initiated in the first part of this work [Nikšić and Vretenar, Phys. Rev. C 94, 024333 (2016), 10.1103/PhysRevC.94.024333], is extended by the inclusion of data on ground-state properties of finite nuclei in the application of the manifold boundary approximation method (MBAM). Density functionals used in self-consistent mean-field calculations, and nuclear structure models based on them, are generally "sloppy" and exhibit an exponential range of sensitivity to parameter variations. Concepts of information geometry are used to identify the presence of effective functionals of lower dimension in parameter space associated with parameter combinations that can be tightly constrained by data. The MBAM is used in an iterative procedure that systematically reduces the complexity and dimension of parameter space of a sloppy functional, with properties of nuclear matter and data on finite nuclei determining not only the values of model parameters but also the optimal functional form of the density dependence.

  12. 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.

  13. Schmidt decomposition for non-collinear biphoton angular wave functions

    NASA Astrophysics Data System (ADS)

    Fedorov, M. V.

    2015-06-01

    Schmidt modes of non-collinear biphoton angular wave functions are found analytically. The experimentally realizable procedure for their separation is described. Parameters of the Schmidt decomposition are used to evaluate the degree of the biphoton's angular entanglement. To Vladimir and Margarita Man’ko with great respect and best wishes.

  14. 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

  15. 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.

  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. 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

  18. Time-dependent density-functional description of nuclear dynamics

    NASA Astrophysics Data System (ADS)

    Nakatsukasa, Takashi; Matsuyanagi, Kenichi; Matsuo, Masayuki; Yabana, Kazuhiro

    2016-10-01

    The basic concepts and recent developments in the time-dependent density-functional theory (TDDFT) for describing nuclear dynamics at low energy are presented. The symmetry breaking is inherent in nuclear energy density functionals, which provides a practical description of important correlations at the ground state. Properties of elementary modes of excitation are strongly influenced by the symmetry breaking and can be studied with TDDFT. In particular, a number of recent developments in the linear response calculation have demonstrated their usefulness in the description of collective modes of excitation in nuclei. Unrestricted real-time calculations have also become available in recent years, with new developments for quantitative description of nuclear collision phenomena. There are, however, limitations in the real-time approach; for instance, it cannot describe the many-body quantum tunneling. Thus, the quantum fluctuations associated with slow collective motions are explicitly treated assuming that time evolution of densities is determined by a few collective coordinates and momenta. The concept of collective submanifold is introduced in the phase space associated with the TDDFT and used to quantize the collective dynamics. Selected applications are presented to demonstrate the usefulness and quality of the new approaches. Finally, conceptual differences between nuclear and electronic TDDFT are discussed, with some recent applications to studies of electron dynamics in the linear response and under a strong laser field.

  19. p150/Glued Modifies Nuclear Estrogen Receptor Function

    PubMed Central

    Lee, Soo Jung; Chae, Christina; Wang, Michael M.

    2009-01-01

    Estrogen modulates gene expression through interactions with estrogen receptors (ERs) that bind chromosomal target genes. Recent studies have suggested an interaction between the cytoskeletal system and estrogen signaling; these have implicated a role of cytoplasmic microtubules in scaffolding ERα and enhancing nongenomic function; in addition, other experiments demonstrate that dynein light chain 1 may chaperone ERα to the nucleus, indirectly increasing transcriptional potency. Actin/myosin and dynein light chain 1 are also required for estrogen-mediated chromosomal movement that is required for transcriptional up-regulation of ERα targets. We present evidence that the dynactin component, p150/glued, directly influences the potency of nuclear ER function. Increasing the stoichiometric ratio of p150/glued and ERα by overexpression enhances estrogen responses. ERα enhancement by p150/glued does not appear to be influenced by shifts in subcellular localization because microtubule disruption fails to increase nuclear ERα. Rather, we find that modest amounts of p150/glued reside in the nucleus of cells, suggesting that it plays a direct role in nuclear transcription. Notably, p150/glued is recruited to the pS2 promoter in the presence of hormone, and, in MCF-7 cells, knockdown of p150/glued levels reduces estrogen-dependent transcription. Our results suggest that p150/glued modulates estrogen sensitivity in cells through nuclear mechanisms. PMID:19228793

  20. An APL function for modeling p-wave induced liquefaction

    NASA Astrophysics Data System (ADS)

    Doehring, Donald O.; Charlie, Wayne A.; Veyera, George E.

    This paper presents an APL function that models particle acceleration, velocity, displacement, and porewater pressure responses induced by the passage of compressional waves through water-saturated soil. Inputs to the function include: mass of soil elements, boundary conditions, spring constants, damping ratio, forces applied to the first element, threshold strain and a time increment. Output closely approximates the results of laboratory and field measurements of this phenomenon.

  1. Vector Meson Form Factors and Wave Functions from Holographic QCD

    SciTech Connect

    Hovhannes Grigoryan; Anatoly Radyushkin

    2007-10-10

    Based on the holographic dual model of QCD, we study 2- and 3-point functions of vector currents and derive form factors as well as wave functions for the vector mesons. As a result, generalized vector-meson dominance representation for form factors is obtained with a very specific VMD pattern. The calculated electric radius of the rho-meson is shown to be in a good agreement with predictions from lattice QCD.

  2. Calculation of the nucleon structure function from the nucleon wave function

    NASA Technical Reports Server (NTRS)

    Hussar, Paul E.

    1993-01-01

    Harmonic oscillator wave functions have played an historically important role in our understanding of the structure of the nucleon, most notably by providing insight into the mass spectra of the low-lying states. High energy scattering experiments are known to give us a picture of the nucleon wave function at high-momentum transfer and in a frame in which the nucleon is traveling fast. A simple model that crosses the twin bridges of momentum scale and Lorentz frame that separate the pictures of the nucleon wave function provided by the deep inelastic scattering data and by the oscillator model is presented.

  3. 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.

  4. Spent Nuclear Fuel Project Canister Storage Building Functions and Requirements

    SciTech Connect

    KLEM, M.J.

    2000-10-18

    In 1998, a major change in the technical strategy for managing Multi Canister Overpacks (MCO) while stored within the Canister Storage Building (CSB) occurred. The technical strategy is documented in Baseline Change Request (BCR) No. SNF-98-006, Simplified SNF Project Baseline (MCO Sealing) (FDH 1998). This BCR deleted the hot conditioning process initially adopted for the Spent Nuclear Fuel Project (SNF Project) as documented in WHC-SD-SNF-SP-005, Integrated Process Strategy for K Basins Spent Nuclear Fuel (WHC 199.5). In summary, MCOs containing Spent Nuclear Fuel (SNF) from K Basins would be placed in interim storage following processing through the Cold Vacuum Drying (CVD) facility. With this change, the needs for the Hot Conditioning System (HCS) and inerting/pressure retaining capabilities of the CSB storage tubes and the MCO Handling Machine (MHM) were eliminated. Mechanical seals will be used on the MCOs prior to transport to the CSB. Covers will be welded on the MCOs for the final seal at the CSB. Approval of BCR No. SNF-98-006, imposed the need to review and update the CSB functions and requirements baseline documented herein including changing the document title to ''Spent Nuclear Fuel Project Canister Storage Building Functions and Requirements.'' This revision aligns the functions and requirements baseline with the CSB Simplified SNF Project Baseline (MCO Sealing). This document represents the Canister Storage Building (CSB) Subproject technical baseline. It establishes the functions and requirements baseline for the implementation of the CSB Subproject. The document is organized in eight sections. Sections 1.0 Introduction and 2.0 Overview provide brief introductions to the document and the CSB Subproject. Sections 3.0 Functions, 4.0 Requirements, 5.0 Architecture, and 6.0 Interfaces provide the data described by their titles. Section 7.0 Glossary lists the acronyms and defines the terms used in this document. Section 8.0 References lists the

  5. "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.

  6. Pn wave geometrical spreading and attenuation in Northeast China and the Korean Peninsula constrained by observations from North Korean nuclear explosions

    NASA Astrophysics Data System (ADS)

    Zhao, Lian-Feng; Xie, Xiao-Bi; Tian, Bao-Feng; Chen, Qi-Fu; Hao, Tian-Yao; Yao, Zhen-Xing

    2015-11-01

    We investigate the geometric spreading and attenuation of seismic Pn waves in Northeast China and the Korean Peninsula. A high-quality broadband Pn wave data set generated by North Korean nuclear tests is used to constrain the parameters of a frequency-dependent log-quadratic geometric spreading function and a power law Pn Q model. The geometric spreading function and apparent Pn wave Q are obtained for Northeast China and the Korean Peninsula between 2.0 and 10.0 Hz. Using the two-station amplitude ratios of the Pn spectra and correcting them with the known spreading function, we remove the contributions of the source and crust from the apparent Pn Q and retrieve the P wave attenuation information along the pure upper mantle path. We then use both Pn amplitudes and amplitude ratios in a tomographic approach to obtain the upper mantle P wave attenuation in the studied area. The Pn wave spectra observed in China are compared with those recorded in Japan, and the result reveals that the high-frequency Pn signal across the oceanic path attenuated faster compared with those through the continental path.

  7. Nucleosome functions in spindle assembly and nuclear envelope formation

    PubMed Central

    Zierhut, Christian; Funabiki, Hironori

    2016-01-01

    Summary Chromosomes are not only carriers of the genetic material, but also actively regulate the assembly of complex intracellular architectures. During mitosis, chromosome-induced microtubule polymerisation ensures spindle assembly in cells without centrosomes and plays a supportive role in centrosome-containing cells. Chromosomal signals also mediate post-mitotic nuclear envelope (NE) re-formation. Recent studies using novel approaches to manipulate histones in oocytes, where functions can be analysed in the absence of transcription, have established that nucleosomes, but not DNA alone, mediate the chromosomal regulation of spindle assembly and NE formation. Both processes require the generation of RanGTP by RCC1 recruited to nucleosomes but nucleosomes also acquire cell cycle stage specific regulators, Aurora B in mitosis and ELYS, the initiator of nuclear pore complex assembly, at mitotic exit. Here, we review the mechanisms by which nucleosomes control assembly and functions of the spindle and the NE, and discuss their implications for genome maintenance. PMID:26222742

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

    SciTech Connect

    Lee, Jaesun E-mail: jpp@pusan.ac.kr; Park, Junpil E-mail: jpp@pusan.ac.kr; Cho, Younho; Huh, Hyung E-mail: dokim@kaeri.re.kr; Park, Keun-Bae E-mail: dokim@kaeri.re.kr; Kim, Dong-Ok E-mail: dokim@kaeri.re.kr

    2015-03-31

    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.

  9. Extracting the Green Function Between two Stations From Coda Waves

    NASA Astrophysics Data System (ADS)

    Paul, A.; Campillo, M.

    2001-12-01

    The imaging of the Earth crust often requires active experiments since natural sources implied numerous uncertainties concerning location, origin time and propagation effects outside of the region of interest. We propose to extract the Green function between two seismic stations where earthquake codas are recorded. We make use of the same principle that was applied in helioseismology and recently in acoustics. We demonstrated that, for records in Mexico, the late coda is made up of multiply scattered waves that verify the principle of equipartition (Shapiro et al., 2000, Hennino et al., 2001). Equipartition means that all modes of propagation are statistically equally represented in the wave field. Under this assumption and considering that we use a set of sources that sample the whole space, it can be shown that the average cross correlation between the records of every earthquake at the two stations is an approximation of the Green function between the two stations. We use records from stations of the Mexican national network to test this idea. We use 108 time windows of late coda records at stations YAIG and PLIG. The stacking of the cross correlation indicates that a low frequency coherent signal is present with a signal to noise ratio that was of about 0.3 for a single signal and therefore raises to about 3 after stacking. We know the structure of the crust in the region from Rayleigh wave dispersion analysis and we compute the theoretical Green function. The Green function between two points at the surface is widely dominated by the Rayleigh wave. The signal that we extracted from coda presents the characteristics expected: elliptical polarization in the radial-vertical plane and adequate group velocity. We conclude that we effectively extracted the Rayleigh wave from a limited set of coda records. There are several limitations when applying this technique to seismological data but the preliminary results of the practical application presented here are

  10. 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.

  11. Surface-wave generation by underground nuclear explosions releasing tectonic strain

    SciTech Connect

    Patton, H.J.

    1980-11-03

    Seismic surface-wave generation by underground nuclear explosions releasing tectonic strain is studied through a series of synthetic radiation-pattern calculations based on the earthquake-trigger model. From amplitude and phase radiation patterns for 20-s Rayleigh waves, inferences are made about effects on surface-wave magnitude, M/sub s/, and waveform character. The focus of this study is a comparison between two mechanisms of tectonic strain release: strike-slip motion on vertical faults and thrust motion on 45/sup 0/ dipping faults. The results of our calculations show that Rayleigh-wave amplitudes of the dip-slip model at F values between 0.75 and 1.5 are significantly lower than amplitudes of the strike-slip model or of the explosion source alone. This effect translates into M/sub s/ values about 0.5 units lower than M/sub s/ of the explosion alone. Waveform polarity reversals occur in two of four azimuthal quadrants for the strike-slip model and in all azimuths of the dip-slip-thrust model for F values above about 3. A cursory examination of waveforms from presumed explosions in eastern Kazakhstan suggests that releases of tectonic strain are accompanying the detonation of many of these explosions. Qualitatively, the observations seem to favor the dip-slip-thrust model, which, in the case of a few explosions, must have F values above 3.

  12. Functional domains in nuclear import factor p97 for binding the nuclear localization sequence receptor and the nuclear pore.

    PubMed Central

    Chi, N C; Adam, S A

    1997-01-01

    The interaction of the nuclear protein import factor p97 with the nuclear localization sequence (NLS) receptor, the nuclear pore complex, and Ran/TC4 is important for coordinating the events of protein import to the nucleus. We have mapped the binding domains on p97 for the NLS receptor and the nuclear pore. The NLS receptor-binding domain of p97 maps to the C-terminal 60% of the protein between residues 356 and 876. The pore complex-binding domain of p97 maps to residues 152-352. The pore complex-binding domain overlaps the Ran-GTP- and Ran-GDP-binding domains on p97, but only Ran-GTP competes for docking in permeabilized cells. The N-ethylmaleimide sensitivity of the p97 for docking was investigated and found to be due to inhibition of p97 binding to the pore complex and to the NLS receptor. Site-directed mutagenesis of conserved cysteine residues in the pore- and receptor-binding domains identified two cysteines, C223 and C228, that were required for p97 to bind the nuclear pore. Inhibition studies on docking and accumulation of a NLS protein provided additional evidence that the domains identified biochemically are the functional domains involved in protein import. Together, these results suggest that Ran-GTP dissociates the receptor complex and prevents p97 binding to the pore by inducing a conformational change in the structure of p97 rather than simple competition for binding sites. Images PMID:9201707

  13. Variational Wave Functions and Their Overlap with the Ground State

    SciTech Connect

    Mora, Christophe; Waintal, Xavier

    2007-07-20

    An intrinsic measure of the quality of a variational wave function is given by its overlap with the ground state of the system. We derive a general formula to compute this overlap when quantum dynamics in imaginary time is accessible. The overlap is simply related to the area under the E({tau}) curve, i.e., the energy as a function of imaginary time. This has important applications to, for example, quantum Monte Carlo simulations where the overlap becomes as a simple by-product of routine simulations. As a result, we find that the practical definition of a good variational wave function for quantum Monte Carlo simulations, i.e., fast convergence to the ground state, is equivalent to a good overlap with the actual ground state of the system.

  14. Edge states for the Kalmeyer-Laughlin wave function

    NASA Astrophysics Data System (ADS)

    Herwerth, Benedikt; Sierra, Germán; Tu, Hong-Hao; Cirac, J. Ignacio; Nielsen, Anne E. B.

    2015-12-01

    We study lattice wave functions obtained from the SU(2)1 Wess-Zumino-Witten conformal field theory. Following Moore and Read's construction, the Kalmeyer-Laughlin fractional quantum Hall state is defined as a correlation function of primary fields. By an additional insertion of Kac-Moody currents, we associate a wave function with each state of the conformal field theory. These wave functions span the complete Hilbert space of the lattice system. On the cylinder, we study global properties of the lattice states analytically and correlation functions numerically using a Metropolis Monte Carlo method. By comparing short-range bulk correlations, numerical evidence is provided that the states with one current operator represent edge states in the thermodynamic limit. We show that the edge states with one Kac-Moody current of lowest order have a good overlap with low-energy excited states of a local Hamiltonian, for which the Kalmeyer-Laughlin state approximates the ground state. For some states, exact parent Hamiltonians are derived on the cylinder. These Hamiltonians are SU(2) invariant and nonlocal with up to four-body interactions.

  15. Convergent close coupling versus the generalized Sturmian function approach: Wave-function analysis

    NASA Astrophysics Data System (ADS)

    Ambrosio, M.; Mitnik, D. M.; Gasaneo, G.; Randazzo, J. M.; Kadyrov, A. S.; Fursa, D. V.; Bray, I.

    2015-11-01

    We compare the physical information contained in the Temkin-Poet (TP) scattering wave function representing electron-impact ionization of hydrogen, calculated by the convergent close-coupling (CCC) and generalized Sturmian function (GSF) methodologies. The idea is to show that the ionization cross section can be extracted from the wave functions themselves. Using two different procedures based on hyperspherical Sturmian functions we show that the transition amplitudes contained in both GSF and CCC scattering functions lead to similar single-differential cross sections. The single-continuum channels were also a subject of the present studies, and we show that the elastic and excitation amplitudes are essentially the same as well.

  16. 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.

  17. [Structure and Function of the Nuclear Receptor Constitutive Androstane Receptor].

    PubMed

    Inouye, Yoshio

    2016-01-01

    Animal defense mechanisms against both endogenous and exogenous toxic compounds function mainly through receptor-type transcription factors, including the constitutive androstane receptor (CAR). Following xenobiotic stimulation, CAR translocates into the nucleus and transactivates its target genes including oxygenic and conjugative enzymes and transporters in hepatocytes. We identified subcellular localization signals in the rat CAR: two nuclear localization signals (NLS1 and 2); two nuclear export signals (NES1 and 2); and a cytoplasmic retention region. The nuclear import of CAR is regulated by the importin-Ran system and microtubule network. Five splice variants (SV1-5) were identified in rat liver in addition to wild-type CAR. When expressed in immortalized cells, their artificial transcripts were inactive as transcription factors. A CAR mutant with three consecutive alanine residues inserted into the ligand-binding domain of CAR showed ligand-dependent activation of target genes in immortalized cells, which is in marked contrast to the constitutive transactivating nature of wild-type CAR. Using this assay system, androstenol and clotrimazole, both of which are inverse agonists of CAR, were classified as an antagonist and weak agonist, respectively. A member of the DEAD box DNA/RNA helicase family (DP97) and protein arginine methyltransferase 5 (PRMT5) were found to be gene (or promotor)-specific coactivators of CAR. The expression of the CAR gene might be under the control of clock genes mediated by the nuclear receptor Rev-erb-α.

  18. 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

  19. Computation of correlation functions and wave function projections in the context of quantum trajectory dynamics.

    PubMed

    Garashchuk, Sophya

    2007-04-21

    The de Broglie-Bohm formulation of the Schrodinger equation implies conservation of the wave function probability density associated with each quantum trajectory in closed systems. This conservation property greatly simplifies numerical implementations of the quantum trajectory dynamics and increases its accuracy. The reconstruction of a wave function, however, becomes expensive or inaccurate as it requires fitting or interpolation procedures. In this paper we present a method of computing wave packet correlation functions and wave function projections, which typically contain all the desired information about dynamics, without the full knowledge of the wave function by making quadratic expansions of the wave function phase and amplitude near each trajectory similar to expansions used in semiclassical methods. Computation of the quantities of interest in this procedure is linear with respect to the number of trajectories. The introduced approximations are consistent with approximate quantum potential dynamics method. The projection technique is applied to model chemical systems and to the H+H(2) exchange reaction in three dimensions.

  20. Deducing spectroscopic factors from wave-function asymptotics

    SciTech Connect

    Capel, P.; Danielewicz, P.; Nunes, F. M.

    2010-11-15

    In a coupled-channel model, we explore the effects of coupling between configurations on the radial behavior of the wave function and, in particular, on the spectroscopic factor (SF) and the asymptotic normalization coefficient (ANC). We evaluate the extraction of a SF from the ratio of the ANC of the coupled-channel model to that of a single-particle approximation of the wave function. We perform this study within a core+n collective model, which includes two states of the core that connect by a rotational coupling. To get additional insights, we also use a simplified model that takes a {delta} function for the coupling potential. Calculations are performed for {sup 11}Be. Fair agreement is obtained between the SF inferred from the single-particle approximation and the one obtained within the coupled-channel models. Significant discrepancies are observed only for large coupling strength and/or large admixture, that is, a small SF. This suggests that reliable SFs can be deduced from the wave-function asymptotics when the structure is dominated by one configuration, that is, for a large SF.

  1. Projector Quantum Monte Carlo Method for Nonlinear Wave Functions

    NASA Astrophysics Data System (ADS)

    Schwarz, Lauretta R.; Alavi, A.; Booth, George H.

    2017-04-01

    We reformulate the projected imaginary-time evolution of the full configuration interaction quantum Monte Carlo method in terms of a Lagrangian minimization. This naturally leads to the admission of polynomial complex wave function parametrizations, circumventing the exponential scaling of the approach. While previously these functions have traditionally inhabited the domain of variational Monte Carlo approaches, we consider recent developments for the identification of deep-learning neural networks to optimize this Lagrangian, which can be written as a modification of the propagator for the wave function dynamics. We demonstrate this approach with a form of tensor network state, and use it to find solutions to the strongly correlated Hubbard model, as well as its application to a fully periodic ab initio graphene sheet. The number of variables which can be simultaneously optimized greatly exceeds alternative formulations of variational Monte Carlo methods, allowing for systematic improvability of the wave function flexibility towards exactness for a number of different forms, while blurring the line between traditional variational and projector quantum Monte Carlo approaches.

  2. S-wave velocity structure in southwest China from surface wave tomography and receiver functions

    NASA Astrophysics Data System (ADS)

    Wang, W.; Wu, J.; Fang, L.; Lai, G.; Yang, T.

    2013-12-01

    Using the surface wave records of 504 teleseismic events at 50 temporal and 92 permanent seismic stations in southwest China, we extracted the phase velocity dispersion curves with interstation correlation method, and obtained the phase velocity maps at 10, 15, 25, 40, 60 and 75 s with a grid space of 0.5×0.5 from surface wave tomography. Meanwhile, we obtained the S-wave velocity structures beneath three profiles from the joint inversion of receiver functions and surface waves. From the maps at short periods (10 and 15 s) and long periods (40, 60 and 75 s), different distribution features of high velocity zones (HVZs for short) and low velocity zones (LVZs for short) are shown in the study area: HVZs at short periods are shown in the Panzhihua - Emeishan region, Sichuan basin and Weixi-Lijiang region, surrounding the LVZs from Songpan-Ganzi block to the east of Lijiang where there are significant higher elevations; whereas HVZs at long periods are shown in the Weixi-Lijiang region, Panzhihua-Chuxiong basin and Kunming-Tonghai region and forming a line in the center part of the study area, and the fast polarization directions of the shear wave from SKS analysis on the two sides of the line change significantly. These phenomena indicate plateau material flow can be blocked in two different depth intervals and leads to different horizontal extensions. From the maps at long periods and the structures along the profiles, LVZs are shown in the upper mantle beneath rapid slip fault zones, such as Anninghe - Zemuhe - Xiaojiang fault zone, Red River fault zone and Xiaojinhe fault zone, implying these faults are deep penetrating faults. Figure (a-f) Rayleigh wave phase velocity maps at 10, 15, 25,40,60 and 75 s with a resolution of 100 km. The black lines represent faults. The red points represent M≥6 earthquakes. The colour scale changes in different panels. Figure (g) Distribution of the seismic stations and regional tectonic features in the study area. Figure (h

  3. Estimating Moho depth utilizing S-wave receiver functions

    NASA Astrophysics Data System (ADS)

    Ceylan, S.; Rychert, C.; Harmon, N.

    2014-12-01

    H-k stacking method [Zhu and Kanamori, 2000] is a widely used grid search technique for estimating the Moho depth (H) and Vp/Vs (k) beneath a given station. The H-k surface reaches a maximum when the optimum H and k values are used, which is assumed to be the average crustal structure beneath the seismic station. In general, the method is employed in conjunction with P-wave receiver functions. Here, we investigate the usability of H-k stacking method with S-to-P (Sp) conversions and S-wave reverberations within the crust, employing an extended multi-taper deconvolution. We apply the method to southern California, using data recorded between 1990-2011. We compare results with those of prior studies that used P-to-S (Ps) conversions [Zhu and Kanamori, 2000; Yan and Clayton, 2007], applying a smoothing length of 0.5 degrees to reflect lateral Sp sensitivity. P-waves have better potential to resolve lateral variations in Moho depth owing to the higher frequency content and the geometry of Ps ray path. Our results from Sp conversions are in broad agreement with those from Ps, affirming that S-wave receiver functions can be used in conjunction with the H-k stacking method. Consistent with the P-wave receiver function results, crust is thinner beneath the central Transverse Range (30 km) with respect to eastern Transverse Range (33 km) and Peninsular Region (35 km). Our Moho depth observations (35 km) are more compatible with those of Yan and Clayton [2007] (~35 km) than Zhu and Kanamori [2000] (~30 km) beneath Sierra Nevada, most probably due to a larger data set this study and Yan and Clayton [2007] use. Also, results from this study are deeper than those from Ps for the Salton Trough (30-35 km vs. 25 km). In this case, broad receiver function waveform characteristics suggest a more gradual impedance change across the Moho discontinuity and/or a multi-layered crust. We suggest that a combination of P- and S-wave receiver functions can yield more robust crustal thickness

  4. Proteolytic cleavage, trafficking, and functions of nuclear receptor tyrosine kinases.

    PubMed

    Chen, Mei-Kuang; Hung, Mien-Chie

    2015-10-01

    Intracellular localization has been reported for over three-quarters of receptor tyrosine kinase (RTK) families in response to environmental stimuli. Internalized RTK may bind to non-canonical substrates and affect various cellular processes. Many of the intracellular RTKs exist as fragmented forms that are generated by γ-secretase cleavage of the full-length receptor, shedding, alternative splicing, or alternative translation initiation. Soluble RTK fragments are stabilized and intracellularly transported into subcellular compartments, such as the nucleus, by binding to chaperone or transcription factors, while membrane-bound RTKs (full-length or truncated) are transported from the plasma membrane to the ER through the well-established Rab- or clathrin adaptor protein-coated vesicle retrograde trafficking pathways. Subsequent nuclear transport of membrane-bound RTK may occur via two pathways, INFS or INTERNET, with the former characterized by release of receptors from the ER into the cytosol and the latter characterized by release of membrane-bound receptor from the ER into the nucleoplasm through the inner nuclear membrane. Although most non-canonical intracellular RTK signaling is related to transcriptional regulation, there may be other functions that have yet to be discovered. In this review, we summarize the proteolytic processing, intracellular trafficking and nuclear functions of RTKs, and discuss how they promote cancer progression, and their clinical implications. © 2015 FEBS.

  5. Finite nuclear size and Lamb shift of p-wave atomic states

    SciTech Connect

    Milstein, A.I.; Sushkov, O.P.; Terekhov, I.S.

    2003-06-01

    We consider corrections to the Lamb shift of the p-wave atomic states due to the finite nuclear size (FNS). In other words, these are radiative corrections to the atomic isotope shift related to the FNS. It is shown that the structure of the corrections is qualitatively different to that for the s-wave states. The perturbation theory expansion for the relative correction for a p{sub 1/2} state starts with a {alpha} ln(1/Z{alpha}) term, while for the s{sub 1/2} states it starts with a Z{alpha}{sup 2} term. Here, {alpha} is the fine-structure constant and Z is the nuclear charge. In the present work, we calculate the {alpha} terms for that 2p states, the result for the 2p{sub 1/2} state reads (8{alpha}/9{pi}){l_brace}ln[1/(Z{alpha}){sup 2}]+0.710{r_brace}. Even more interesting are the p{sub 3/2} states. In this case the 'correction' is several orders of magnitude larger than the 'leading' FNS shift. However, absolute values of energy shifts related to these corrections are very small.

  6. Configuration interaction wave functions: a seniority number approach.

    PubMed

    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.

  7. GPView: A program for wave function analysis and visualization.

    PubMed

    Shi, Tian; Wang, Ping

    2016-11-01

    In this manuscript, we will introduce a recently developed program GPView, which can be used for wave function analysis and visualization. The wave function analysis module can calculate and generate 3D cubes for various types of molecular orbitals and electron density of electronic excited states, such as natural orbitals, natural transition orbitals, natural difference orbitals, hole-particle density, detachment-attachment density and transition density. The visualization module of GPView can display molecular and electronic (iso-surfaces) structures. It is also able to animate single trajectories of molecular dynamics and non-adiabatic excited state molecular dynamics using the data stored in existing files. There are also other utilities to extract and process the output of quantum chemistry calculations. The GPView provides full graphic user interface (GUI), so it very easy to use. It is available from website http://life-tp.com/gpview.

  8. Measurement and Shaping of Biphoton Spectral Wave Functions

    NASA Astrophysics Data System (ADS)

    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.

  9. Anatomy of quantum critical wave functions in dissipative impurity problems

    NASA Astrophysics Data System (ADS)

    Blunden-Codd, Zach; Bera, Soumya; Bruognolo, Benedikt; Linden, Nils-Oliver; Chin, Alex W.; von Delft, Jan; Nazir, Ahsan; Florens, Serge

    2017-02-01

    Quantum phase transitions reflect singular changes taking place in a many-body ground state; however, computing and analyzing large-scale critical wave functions constitutes a formidable challenge. Physical insights into the sub-Ohmic spin-boson model are provided by the coherent-state expansion (CSE), which represents the wave function by a linear combination of classically displaced configurations. We find that the distribution of low-energy displacements displays an emergent symmetry in the absence of spontaneous symmetry breaking while experiencing strong fluctuations of the order parameter near the quantum critical point. Quantum criticality provides two strong fingerprints in critical low-energy modes: an algebraic decay of the average displacement and a constant universal average squeezing amplitude. These observations, confirmed by extensive variational matrix-product-state (VMPS) simulations and field theory arguments, offer precious clues into the microscopics of critical many-body states in quantum impurity models.

  10. Wave function analysis of MHC-peptide interactions.

    PubMed

    Cárdenas, Constanza; Obregón, Mateo; Balbín, Alejandro; Villaveces, José Luis; Patarroyo, Manuel E

    2007-01-01

    We have carried out an analysis of the wave function data for three MHC-peptide complexes: HLA-DRbeta1*0101-HA, HLA-DRbeta1*0401-HA and HLA-DRbeta1*0401-Col. We used quantum chemistry computer programs to generate wave function coefficients for these complexes, from which we obtained both molecular and atomic orbital data for both pocket and peptide amino acids within each pocket region. From these discriminated data, interaction molecular orbitals (IMOs) were identified as those with large and similar atomic orbital coefficient contributions from both pocket and peptide amino acids. The present results correlate well with our previous research where only electrostatic moments were used to explore molecular component interactions. Furthermore, we show a quantum chemical methodology to produce more fine-grained results concerning amino acid behavior in the MHC-peptide interaction.

  11. Many-body lattice wave functions from conformal blocks

    NASA Astrophysics Data System (ADS)

    Montes, Sebastián; Rodríguez-Laguna, Javier; Tu, Hong-Hao; Sierra, Germán

    2017-02-01

    We introduce a general framework to construct many-body lattice wave functions starting from the conformal blocks (CBs) of rational conformal field theories (RCFTs). We discuss the different ways of encoding the physical degrees of freedom of the lattice system using both the internal symmetries of the theory and the fusion channels of the CBs. We illustrate this construction both by revisiting the known Haldane-Shastry model and by providing a novel implementation for the Ising RCFT. In the latter case, we find a connection to the Ising transverse field (ITF) spin chain via the Kramers-Wannier duality and the Temperley-Lieb-Jones algebra. We also find evidence that the ground state of the finite-size critical ITF Hamiltonian corresponds exactly to the wave function obtained from CBs of spin fields.

  12. 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.

  13. 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.

  14. 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.

  15. Emerging functional roles of nuclear receptors in breast cancer.

    PubMed

    Doan, Tram B; Graham, J Dinny; Clarke, Christine L

    2017-04-01

    Nuclear receptors (NRs) have been targets of intensive drug development for decades due to their roles as key regulators of multiple developmental, physiological and disease processes. In breast cancer, expression of the estrogen and progesterone receptor remains clinically important in predicting prognosis and determining therapeutic strategies. More recently, there is growing evidence supporting the involvement of multiple nuclear receptors other than the estrogen and progesterone receptors, in the regulation of various processes important to the initiation and progression of breast cancer. We review new insights into the mechanisms of action of NRs made possible by recent advances in genomic technologies and focus on the emerging functional roles of NRs in breast cancer biology, including their involvement in circadian regulation, metabolic reprogramming and breast cancer migration and metastasis.

  16. The second moment of the pion light cone wave function

    SciTech Connect

    Luigi del Debbio; Massimo di Pierro; Alex Dougall

    2003-09-25

    We present a preliminary result for second moment of the light cone wave function of the pion. This parameter is the subject of a discrepancy between theoretical predictions (coming from lattice and sum rules) and a recent experimental result (that remarkably agrees with purely perturbative predictions). In this work we exploit lattice hypercubic symmetries to remove power divergences and, moreover, implement a full 1-loop matching for all the contributing operators.

  17. Multifractal electronic wave functions in the Anderson model of localization

    SciTech Connect

    Schreiber, M.; Grussbach, H. )

    1992-06-20

    In this paper, investigations of the multifractal properties of electronic wave functions in disordered samples are reviewed. The characteristic mass exponents of the multifractal measure, the generalized dimensions and the singularity spectra are discussed for typical cases. New results for large 3D systems are reported, suggesting that the multifractal properties at the mobility edge which separates localized and extended states are independent of the microscopic details of the model.

  18. Lattice effects on Laughlin wave functions and parent Hamiltonians

    NASA Astrophysics Data System (ADS)

    Glasser, Ivan; Cirac, J. Ignacio; Sierra, Germán; Nielsen, Anne E. B.

    2016-12-01

    We investigate lattice effects on wave functions that are lattice analogs of bosonic and fermionic Laughlin wave functions with number of particles per flux ν =1 /q in the Landau levels. These wave functions are defined analytically on lattices with μ particles per lattice site, where μ may be different than ν . We give numerical evidence that these states have the same topological properties as the corresponding continuum Laughlin states for different values of q and for different fillings μ . These states define, in particular, particle-hole symmetric lattice fractional quantum Hall states when the lattice is half filled. On the square lattice it is observed that for q ≤4 this particle-hole symmetric state displays the topological properties of the continuum Laughlin state at filling fraction ν =1 /q , while for larger q there is a transition towards long-range ordered antiferromagnets. This effect does not persist if the lattice is deformed from a square to a triangular lattice, or on the kagome lattice, in which case the topological properties of the state are recovered. We then show that changing the number of particles while keeping the expression of these wave functions identical gives rise to edge states that have the same correlations in the bulk as the reference lattice Laughlin states but a different density at the edge. We derive an exact parent Hamiltonian for which all these edge states are ground states with different number of particles. In addition this Hamiltonian admits the reference lattice Laughlin state as its unique ground state of filling factor 1 /q . Parent Hamiltonians are also derived for the lattice Laughlin states at other fillings of the lattice, when μ ≤1 /q or μ ≥1 -1 /q and when q =4 also at half filling.

  19. Hydrodynamic Waves and Correlation Functions in Dusty Plasmas

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, A.; Wang, Xiaogang

    1997-11-01

    A hydrodynamic description of strongly coupled dusty plasmas is given when physical quantities vary slowly in space and time and the system can be assumed to be in local thermodynamic equilibrium. The linear waves in such a system are analyzed. In particular, a dispersion equation is derived for low-frequency dust acoustic waves, including collisional damping effects, and compared with experimental results. The linear response of the system is calculated from the fluctuation-dissipation theorem and the hydrodynamic equations. The requirement that these two calculations coincide constrains the particle correlation function for slowly varying perturbations [L. P. Kadanoff and P. C. Martin, Ann. Phys. 24, 419 (1963)]. It is shown that in the presence of the slow dust-acoustic waves, the dust auto-correlation function is of the Debye-Hekel form and the shielding distance is the dust Debye length. In the short-wavelength regime, an integral equation is derived from kinetic theory and solved numerically to yield particle correlation functions that display ``liquid-like'' behavior and have been observed experimentally [R. A.. Quinn, C. Cui, J. Goree, J. B. Pieper, H. Thomas and G. E. Morfill, Phys. Rev. E 53, R2049 (1996)].

  20. Identification and Functional Characterization of Nuclear Mortalin in Human Carcinogenesis*

    PubMed Central

    Ryu, Jihoon; Kaul, Zeenia; Yoon, A-Rum; Liu, Ye; Yaguchi, Tomoko; Na, Youjin; Ahn, Hyo Min; Gao, Ran; Choi, Il-Kyu; Yun, Chae-Ok; Kaul, Sunil C.; Wadhwa, Renu

    2014-01-01

    The Hsp70 family protein mortalin is an essential chaperone that is frequently enriched in cancer cells and exists in various subcellular sites, including the mitochondrion, plasma membrane, endoplasmic reticulum, and cytosol. Although the molecular mechanisms underlying its multiple subcellular localizations are not yet clear, their functional significance has been revealed by several studies. In this study, we examined the nuclear fractions of human cells and found that the malignantly transformed cells have more mortalin than the normal cells. We then generated a mortalin mutant that lacked a mitochondrial targeting signal peptide. It was largely localized in the nucleus, and, hence, is called nuclear mortalin (mot-N). Functional characterization of mot-N revealed that it efficiently protects cancer cells against endogenous and exogenous oxidative stress. Furthermore, compared with the full-length mortalin overexpressing cancer cells, mot-N derivatives showed increased malignant properties, including higher proliferation rate, colony forming efficacy, motility, and tumor forming capacity both in in vitro and in vivo assays. We demonstrate that mot-N promotes carcinogenesis and cancer cell metastasis by inactivation of tumor suppressor protein p53 functions and by interaction and functional activation of telomerase and heterogeneous ribonucleoprotein K (hnRNP-K) proteins. PMID:25012652

  1. Karyopherins regulate nuclear pore complex barrier and transport function.

    PubMed

    Kapinos, Larisa E; Huang, Binlu; Rencurel, Chantal; Lim, Roderick Y H

    2017-09-01

    Nucleocytoplasmic transport is sustained by karyopherins (Kaps) and a Ran guanosine triphosphate (RanGTP) gradient that imports nuclear localization signal (NLS)-specific cargoes (NLS-cargoes) into the nucleus. However, how nuclear pore complex (NPC) barrier selectivity, Kap traffic, and NLS-cargo release are systematically linked and simultaneously regulated remains incoherent. In this study, we show that Kapα facilitates Kapβ1 turnover and occupancy at the NPC in a RanGTP-dependent manner that is directly coupled to NLS-cargo release and NPC barrier function. This is underpinned by the binding affinity of Kapβ1 to phenylalanine-glycine nucleoporins (FG Nups), which is comparable with RanGTP·Kapβ1, but stronger for Kapα·Kapβ1. On this basis, RanGTP is ineffective at releasing standalone Kapβ1 from NPCs. Depleting Kapα·Kapβ1 by RanGTP further abrogates NPC barrier function, whereas adding back Kapβ1 rescues it while Kapβ1 turnover softens it. Therefore, the FG Nups are necessary but insufficient for NPC barrier function. We conclude that Kaps constitute integral constituents of the NPC whose barrier, transport, and cargo release functionalities establish a continuum under a mechanism of Kap-centric control. © 2017 Kapinos et al.

  2. 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.

  3. Statistical properties and correlation functions for drift waves

    NASA Technical Reports Server (NTRS)

    Horton, W.

    1986-01-01

    The dissipative one-field drift wave equation is solved using the pseudospectral method to generate steady-state fluctuations. The fluctuations are analyzed in terms of space-time correlation functions and modal probability distributions. Nearly Gaussian statistics and exponential decay of the two-time correlation functions occur in the presence of electron dissipation, while in the absence of electron dissipation long-lived vortical structures occur. Formulas from renormalized, Markovianized statistical turbulence theory are given in a local approximation to interpret the dissipative turbulence.

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

    PubMed

    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. Functional renal imaging: new trends in radiology and nuclear medicine.

    PubMed

    Durand, Emmanuel; Chaumet-Riffaud, Philippe; Grenier, Nicolas

    2011-01-01

    The objective of this work is to compare the characteristics of various techniques for functional renal imaging, with a focus on nuclear medicine and magnetic resonance imaging. Even with low spatial resolution and rather poor signal-to-noise ratio, classical nuclear medicine has the advantage of linearity and good sensitivity. It remains the gold standard technique for renal relative functional assessment. Technetium-99m ((99m)Tc)-labeled diethylenetriamine penta-acetate remains the reference glomerular tracer. Tubular tracers have been improved: (123)I- or (131)I-hippuran, (99m)Tc-MAG3 and, recently, (99m)Tc-nitrilotriacetic acid. However, advancement in molecular imaging has not produced a groundbreaking tracer. Renal magnetic resonance imaging with classical gadolinated tracers probably has potential in this domain but has a lack of linearity and, therefore, its value still needs evaluation. Moreover, the advent of nephrogenic systemic fibrosis has delayed its expansion. Other developments, such as diffusion or blood oxygen level-dependent imaging, may have a role in the future. The other modalities have a limited role in clinical practice for functional renal imaging.

  6. 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

  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. Augmented Lagrangian method for constrained nuclear density functional theory

    NASA Astrophysics Data System (ADS)

    Staszczak, A.; Stoitsov, M.; Baran, A.; Nazarewicz, W.

    2010-10-01

    The augmented Lagrangiam method (ALM), widely used in quantum chemistry constrained optimization problems, is applied in the context of the nuclear Density Functional Theory (DFT) in the self-consistent constrained Skyrme Hartree-Fock-Bogoliubov (CHFB) variant. The ALM allows precise calculations of multi-dimensional energy surfaces in the space of collective coordinates that are needed to, e.g., determine fission pathways and saddle points; it improves the accuracy of computed derivatives with respect to collective variables that are used to determine collective inertia; and is well adapted to supercomputer applications.

  9. Nuclear export of RNA: Different sizes, shapes and functions.

    PubMed

    Williams, Tobias; Ngo, Linh H; Wickramasinghe, Vihandha O

    2017-09-01

    Export of protein-coding and non-coding RNA molecules from the nucleus to the cytoplasm is critical for gene expression. This necessitates the continuous transport of RNA species of different size, shape and function through nuclear pore complexes via export receptors and adaptor proteins. Here, we provide an overview of the major RNA export pathways in humans, highlighting the similarities and differences between each. Its importance is underscored by the growing appreciation that deregulation of RNA export pathways is associated with human diseases like cancer. Copyright © 2017. Published by Elsevier Ltd.

  10. 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.

  11. Irregular wave functions of a hydrogen atom in a uniform magnetic field

    NASA Technical Reports Server (NTRS)

    Wintgen, D.; Hoenig, A.

    1989-01-01

    The highly excited irregular wave functions of a hydrogen atom in a uniform magnetic field are investigated analytically, with wave function scarring by periodic orbits considered quantitatively. The results obtained confirm that the contributions of closed classical orbits to the spatial wave functions vanish in the semiclassical limit. Their disappearance, however, is slow. This discussion is illustrated by numerical examples.

  12. 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

  13. 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

  14. Characterization of functional regions for nuclear localization of NPAT.

    PubMed

    Sagara, Masashi; Takeda, Eri; Nishiyama, Akiyo; Utsumi, Syunsaku; Toyama, Yoshiroh; Yuasa, Shigeki; Ninomiya, Yasuharu; Imai, Takashi

    2002-12-01

    NPAT plays a role in S phase entry as a substrate of cyclin E-CDK2 and activation of histone gene transcription. Although analysis of its sequence indicates that NPAT contains typical nuclear localization signals (NLS) comprising segments of positively charged amino acids, there are currently no experimental data to show that these predictive NLS are functional. To investigate whether these sequences are effective for nuclear transport of NPAT, an NPAT-green fluorescent protein fusion (NP-GFP) was constructed. After transfection of the fusion gene containing the full coding region of NPAT into cultured cells, the NP-GFP product was found exclusively in the nucleus. As expected, some deletion mutants that retained the basic amino acid clusters at the carboxyl terminus also localize the fusion protein in the nucleus. However, other fusions that lacked one of the three basic amino acid-clusters were distributed throughout the nucleus and cytoplasm. Therefore all three clusters of basic residues are necessary for localization of NPAT to the nucleus. However, another sequence outside the carboxyl terminal region functions similarly to NLS. Construction of GFP fusions with a series of truncated forms of NPAT indicated that a short peptide sequence consisting of mainly hydrophobic amino acids near the central domain of NPAT also contributes to localizing the protein in the nucleus.

  15. 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.

  16. 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.

  17. Selected Interventions in Nuclear Medicine: Gastrointestinal Motor Functions

    PubMed Central

    Odunsi, Suwebatu T.; Camilleri, Michael

    2009-01-01

    Measurement of gastrointestinal functions by scintigraphy is established in clinical practice and research. The most commonly used test is the gastric emptying test. This is acknowledged as the gold standard and is conducted according to a consensus statement from the national nuclear medicine and motility societies. Other techniques are somewhat more esoteric (e.g. measurement of gastric accommodation with SPECT) or the scintigraphic approach is not the acknowledged gold standard (e.g. colonic transit, recto-anal angle and emptying, esophageal transit). The performance characteristics of many of the scintigraphic measurements have been published and the pros and cons established in the literature. Gastrointestinal scintigraphy is an integral and important component of the assessment of gastrointestinal function. PMID:19341838

  18. Lg Wave Excitation and Propagation with Application to Nuclear Yield Determination

    DTIC Science & Technology

    2014-09-26

    component at distances from 100 too 500 km is generated using a simplified one layer over halfspace model ( SCM , Wang and Herrmann, 1980). The arrival time...The synthetic seismograms from ’locked mode’ approximation. SH component from a single layer over h-Jlfspace model ( SCM ) is plotted with different...izontal component defined as tangential with respect to the source. Substituting these functions into the equation (1), the scattered wave field "um

  19. Empirical Proton-Neutron Interactions and Nuclear Density Functional Theory: Global, Regional, and Local Comparisons

    SciTech Connect

    Stoitsov, Mario; Cakirli, R. B.; Casten, R. F.; Nazarewicz, Witold; Satula, W.

    2007-01-01

    Calculations of nuclear masses, using nuclear density functional theory, are presented for even-even nuclei spanning the nuclear chart. The resulting binding energy differences can be interpreted in terms of valence proton-neutron interactions. These are compared globally, regionally, and locally with empirical values. Overall, excellent agreement is obtained. Discrepancies highlight neglected degrees of freedom and can point to improved density functionals.

  20. Empirical Proton-Neutron Interactions and Nuclear Density Functional Theory: Global, Regional, and Local Comparisons

    SciTech Connect

    Stoitsov, M.; Cakirli, R. B.; Casten, R. F.; Nazarewicz, W.; Satula, W.

    2007-03-30

    Calculations of nuclear masses, using nuclear density functional theory, are presented for even-even nuclei spanning the nuclear chart. The resulting binding energy differences can be interpreted in terms of valence proton-neutron interactions. These are compared globally, regionally, and locally with empirical values. Overall, excellent agreement is obtained. Discrepancies highlight neglected degrees of freedom and can point to improved density functionals.

  1. Empirical proton-neutron interactions and nuclear density functional theory: global, regional, and local comparisons.

    PubMed

    Stoitsov, M; Cakirli, R B; Casten, R F; Nazarewicz, W; Satuła, W

    2007-03-30

    Calculations of nuclear masses, using nuclear density functional theory, are presented for even-even nuclei spanning the nuclear chart. The resulting binding energy differences can be interpreted in terms of valence proton-neutron interactions. These are compared globally, regionally, and locally with empirical values. Overall, excellent agreement is obtained. Discrepancies highlight neglected degrees of freedom and can point to improved density functionals.

  2. Measurement and structure of spiral wave response functions

    NASA Astrophysics Data System (ADS)

    Dierckx, Hans; Verschelde, Henri; Panfilov, Alexander V.

    2017-09-01

    The rotating spiral waves that emerge in diverse natural and man-made systems typically exhibit a particle-like behaviour since their adjoint critical eigenmodes (response functions) are often seen to be localised around the spiral core. We present a simple method to numerically compute response functions for circular-core and meandering spirals by recording their drift response to many elementary perturbations. Although our method is computationally more expensive than solving the adjoint system, our technique is fully parallellisable, does not suffer from memory limitations and can be applied to experiments. For a cardiac tissue model with the linear spiral core, we find that the response functions are localised near the turning points of the trajectory.

  3. Ultrasonic characterization of functionally gradient materials with leaky Rayleigh wave

    SciTech Connect

    Kawashima, Koichiro; Takenouchi, Naoki; Awaji, Hideo; Nishikawa, Tadahiro

    1999-12-02

    Young's modulus of functionally gradient Al{sub 2}O{sub 3}/Ni ceramics, which was formed by centrifugal casting and has gradient of the elastic properties along a particular direction on the surface, is estimated by velocity measurement of the leaky Rayleigh and longitudinal waves. Those velocities were measured every 1mm with a line focused PVDF transducer, of which central frequency, focal length and width are 36MHz, 5mm and 8mm. Thus measured Young's modulus varies from 370GPa (Al{sub 2}O{sub 3} rich side) to 200GPa (Ni rich side)

  4. The Condensate Wave Function of a Trapped Atomic Gas

    PubMed Central

    Dalfovo, F.; Pitaevskii, L.; Stringari, S.

    1996-01-01

    We discuss various properties of the ground state of a Bose-condensed dilute gas confined by an external potential. We devote particular attention to the role played by the interaction in determining the kinetic energy of the system and the aspect ratio of the velocity distribution. The structure of the wave function near the classical turning point is discussed and the drawback of the Thomas-Fermi approximation is explicitly pointed out. We consider also states with quantized vorticity and calculate the critical angular velocity for the production of vortices. The presence of vortex states is found to increases the stability of the condensate in the case of attractive interactions. PMID:27805106

  5. Wave Function Structure in Two-Body Random Matrix Ensembles

    SciTech Connect

    Kaplan, Lev; Papenbrock, Thomas

    2000-05-15

    We study the structure of eigenstates in two-body interaction random matrix ensembles and find significant deviations from random matrix theory expectations. The deviations are most prominent in the tails of the spectral density and indicate localization of the eigenstates in Fock space. Using ideas related to scar theory we derive an analytical formula that relates fluctuations in wave function intensities to fluctuations of the two-body interaction matrix elements. Numerical results for many-body fermion systems agree well with the theoretical predictions. (c) 2000 The American Physical Society.

  6. 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.

  7. Black hole mass function from gravitational wave measurements

    NASA Astrophysics Data System (ADS)

    Kovetz, Ely D.; Cholis, Ilias; Breysse, Patrick C.; Kamionkowski, Marc

    2017-05-01

    We examine how future gravitational-wave measurements from merging black holes (BHs) can be used to infer the shape of the black-hole mass function, with important implications for the study of star formation and evolution and the properties of binary BHs. We model the mass function as a power law, inherited from the stellar initial mass function, and introduce lower and upper mass cutoff parametrizations in order to probe the minimum and maximum BH masses allowed by stellar evolution, respectively. We initially focus on the heavier BH in each binary, to minimize model dependence. Taking into account the experimental noise, the mass measurement errors and the uncertainty in the redshift dependence of the merger rate, we show that the mass function parameters, as well as the total rate of merger events, can be measured to <10 % accuracy within a few years of advanced LIGO observations at its design sensitivity. This can be used to address important open questions such as the upper limit on the stellar mass which allows for BH formation and to confirm or refute the currently observed mass gap between neutron stars and BHs. In order to glean information on the progenitors of the merging BH binaries, we then advocate the study of the two-dimensional mass distribution to constrain parameters that describe the two-body system, such as the mass ratio between the two BHs, in addition to the merger rate and mass function parameters. We argue that several years of data collection can efficiently probe models of binary formation, and show, as an example, that the hypothesis that some gravitational-wave events may involve primordial black holes can be tested. Finally, we point out that in order to maximize the constraining power of the data, it may be worthwhile to lower the signal-to-noise threshold imposed on each candidate event and amass a larger statistical ensemble of BH mergers.

  8. The "JK-only" approximation in density matrix functional and wave function theory.

    PubMed

    Kollmar, Christian

    2004-12-15

    Various energy functionals applying the "JK-only" approximation which leads to two-index two-electron integrals instead of four-index two-electron integrals in the electron-electron interaction term of the electronic energy are presented. Numerical results of multiconfiguration self-consistent field calculations for the best possible "JK-only" wave function are compared to those obtained from the pair excitation multiconfiguration self-consistent (PEMCSCF) method and two versions of density matrix functional theory. One of these is derived making explicit use of some necessary conditions for N representability of the second-order density matrix. It is shown that this method models the energy functional based on the best possible "JK-only" wave function with good accuracy. The calculations also indicate that only a minor fraction of the total correlation energy is incorporated by "JK-only" approaches for larger molecules.

  9. Structure and Function of Latency-Associated Nuclear Antigen

    PubMed Central

    Verma, S. C.; Lan, K.

    2011-01-01

    Latency-associated nuclear antigen (LANA) encoded by open reading frame 73 (ORF73) is the major latent protein expressed in all forms of KSHV-associated malignancies. LANA is a large (222–234 kDa) nuclear protein that interacts with various cellular as well as viral proteins. LANA has been classified as an oncogenic protein as it dysregulates various cellular pathways including tumor suppressor pathways associated with pRb and p53 and can transform primary rat embryo fibroblasts in cooperation with the cellular oncogene Hras. It associates with GSK-3β, an important modulator of Wnt signaling pathway leading to the accumulation of cytoplasmic β-catenin, which upregulates Tcf/Lef regulated genes after entering into the nucleus. LANA also blocks the expression of RTA, the reactivation transcriptional activator, which is critical for the latency to lytic switch, and thus helps in maintaining viral latency. LANA tethers the viral episomal DNA to the host chromosomes by directly binding to its cognate binding sequence within the TR region of the genome through its C terminus and to the nucleosomes through the N terminus of the molecule. Tethering to the host chromosomes helps in efficient partitioning of the viral episomes in the dividing cells. Disruptions of LANA expression led to reduction in the episomal copies of the viral DNA, supporting its role in persistence of the viral DNA. The functions known so far suggest that LANA is a key player in KSHV-mediated pathogenesis. PMID:17089795

  10. Understanding nuclear receptor form and function using structural biology.

    PubMed

    Rastinejad, Fraydoon; Huang, Pengxiang; Chandra, Vikas; Khorasanizadeh, Sepideh

    2013-12-01

    Nuclear receptors (NRs) are a major transcription factor family whose members selectively bind small-molecule lipophilic ligands and transduce those signals into specific changes in gene programs. For over two decades, structural biology efforts were focused exclusively on the individual ligand-binding domains (LBDs) or DNA-binding domains of NRs. These analyses revealed the basis for both ligand and DNA binding and also revealed receptor conformations representing both the activated and repressed states. Additionally, crystallographic studies explained how NR LBD surfaces recognize discrete portions of transcriptional coregulators. The many structural snapshots of LBDs have also guided the development of synthetic ligands with therapeutic potential. Yet, the exclusive structural focus on isolated NR domains has made it difficult to conceptualize how all the NR polypeptide segments are coordinated physically and functionally in the context of receptor quaternary architectures. Newly emerged crystal structures of the peroxisome proliferator-activated receptor-γ-retinoid X receptor α (PPARγ-RXRα) heterodimer and hepatocyte nuclear factor (HNF)-4α homodimer have recently revealed the higher order organizations of these receptor complexes on DNA, as well as the complexity and uniqueness of their domain-domain interfaces. These emerging structural advances promise to better explain how signals in one domain can be allosterically transmitted to distal receptor domains, also providing much better frameworks for guiding future drug discovery efforts.

  11. 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.

  12. Green's function formalism for calculating spin-wave spectra

    NASA Astrophysics Data System (ADS)

    Aryasetiawan, F.; Karlsson, K.

    1999-09-01

    We propose a formalism for calculating ab initio spin-wave spectra which is based on the many-body temperature Green's function. The main quantity to be calculated is the linear magnetic susceptibility from which all magnetic excitations involving the creation of an additional spin in the system can formally be obtained. The Schwinger functional derivative technique is employed in calculating the self-energy. The approach avoids both the assumption of local spins (Heisenberg model) and the use of a local exchange and correlation interaction (local-density approximation). Starting from the GW approximation we obtain a Bethe-Salpeter equation for the kernel describing the interaction between electrons in both spin channels. However, this kernel exhibits a nonlocal screened interaction.

  13. The regulation and functions of the nuclear RNA exosome complex.

    PubMed

    Kilchert, Cornelia; Wittmann, Sina; Vasiljeva, Lidia

    2016-04-01

    The RNA exosome complex is the most versatile RNA-degradation machine in eukaryotes. The exosome has a central role in several aspects of RNA biogenesis, including RNA maturation and surveillance. Moreover, it is emerging as an important player in regulating the expression levels of specific mRNAs in response to environmental cues and during cell differentiation and development. Although the mechanisms by which RNA is targeted to (or escapes from) the exosome are still not fully understood, general principles have begun to emerge, which we discuss in this Review. In addition, we introduce and discuss novel, previously unappreciated functions of the nuclear exosome, including in transcription regulation and in the maintenance of genome stability.

  14. Structural and functional insights into nuclear receptor signaling

    PubMed Central

    Jin, Lihua; Li, Yong

    2010-01-01

    Nuclear receptors are important transcriptional factors that share high sequence identity and conserved domains, including a DNA-binding domain (DBD) and a ligand-binding domain (LBD). The LBD plays a crucial role in ligand-mediated nuclear receptor activity. Hundreds of different crystal structures of nuclear receptors have revealed a general mechanism for the molecular basis of ligand binding and ligand-mediated regulation of nuclear receptors. Despite the conserved fold of nuclear receptor LBDs, the ligand-binding pocket is the least conserved region among different nuclear receptor LBDs. Structural comparison and analysis show that several features of the pocket, like the size and also the shape, have contributed to the ligand binding affinity and specificity. In addition, the plastic nature of the ligand-binding pockets in many nuclear receptors provides greater flexibility to further accommodate specific ligands with a variety of conformations. Nuclear receptor coactivators usually contain multiple LXXLL motifs that are used to interact with nuclear receptors. The nuclear receptors respond differently to distinct ligands and readily exchange their ligands in different environments. The conformational flexibility of the AF-2 helix allows the nuclear receptor to sense the presence of the bound ligands, either an agonist or an antagonist, and to recruit the coactivators or corepressors that ultimately determine the transcriptional activation or repression of nuclear receptors. PMID:20723571

  15. Preoperative nuclear renal scan underestimates renal function after radical nephrectomy.

    PubMed

    Bachrach, Laurie; Negron, Edris; Liu, Joceline S; Su, Yu-Kai; Paparello, James J; Eggener, Scott; Kundu, Shilajit D

    2014-12-01

    To compare expected and actual renal function after nephrectomy. Nuclear renal scan estimates differential kidney function and is commonly used to calculate expected postoperative renal function after radical nephrectomy. However, the observed postoperative renal function is often different from the expected. A retrospective review was performed on 136 patients who underwent radical nephrectomy or nephroureterectomy and had a preoperative renal scan with calculated differential function. Glomerular filtration rate (GFR) values, preoperative and postoperative, were calculated with the Modification of Diet in Renal Disease (MDRD) equation. The expected postoperative GFR based on renal scan was compared with the actual postoperative GFR. The average age of patients undergoing surgery was 58.6 years, and the indication for surgery was for benign causes in 59 (44%) patients and cancer in 76 (56%) patients. The average preoperative creatinine and estimated GFR were 1.0 mg/dL and 69.9 mL/min/1.73 m(2). At a median follow-up of 3.3 months, the actual postoperative GFR exceeded the expected GFR by an average of 12.1% (interquartile range, 2.6%-25.2%). When stratified by preoperative GFR >90, 60-90, and <60 mL/min/1.73 m(2), respectively, the observed GFR exceeded the expected GFR by 4.3%, 12.6%, and 14.9%, respectively (P = .16). This trend was maintained when GFR was plotted over time. After nephrectomy, the remaining kidney exceeded the expected postoperative GFR by 12% in this cohort of patients with preoperative renal scans. Patients with existing renal insufficiency had the greatest compensatory response, and this was durable over time. Copyright © 2014 Elsevier Inc. All rights reserved.

  16. 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.

  17. Magnetospheric electron-velocity-distribution function information from wave observations

    NASA Astrophysics Data System (ADS)

    Benson, Robert F.; ViñAs, Adolfo F.; Osherovich, Vladimir A.; Fainberg, Joseph; Purser, Carola M.; Adrian, Mark L.; Galkin, Ivan A.; Reinisch, Bodo W.

    2013-08-01

    The electron-velocity-distribution function was determined to be highly non-Maxwellian and more appropriate to a kappa distribution, with κ ≈ 2.0, near magnetic midnight in the low-latitude magnetosphere just outside a stable plasmasphere during extremely quiet geomagnetic conditions. The kappa results were based on sounder-stimulated Qn plasma resonances using the Radio Plasma Imager (RPI) on the IMAGE satellite; the state of the plasmasphere was determined from IMAGE/EUV observations. The Qn resonances correspond to the maximum frequencies of Bernstein-mode waves that are observed between the harmonics of the electron cyclotron frequency in the frequency domain above the upper-hybrid frequency. Here we present the results of a parametric investigation that included suprathermal electrons in the electron-velocity-distribution function used in the plasma-wave dispersion equation to calculate the Qn frequencies for a range of kappa and fpe/fce values for Qn resonances from Q1 to Q9. The Qn frequencies were also calculated using a Maxwellian distribution, and they were found to be greater than those calculated using a kappa distribution with the frequency differences increasing with increasing n for a fixed κ and with decreasing κ for a fixed n. The calculated fQn values have been incorporated into the RPI BinBrowser software providing a powerful tool for rapidly obtaining information on the nature of the magnetospheric electron-velocity-distribution function and the electron number density Ne. This capability enabled accurate (within a few percent) in situ Ne determinations to be made along the outbound orbital track as IMAGE moved away from the plasmapause. The extremely quiet geomagnetic conditions allowed IMAGE/EUV-extracted counts to be compared with the RPI-determined orbital-track Ne profile. The comparisons revealed remarkably similar Ne structures.

  18. Pulse wave velocity and cognitive function in older adults.

    PubMed

    Zhong, Wenjun; Cruickshanks, Karen J; Schubert, Carla R; Carlsson, Cynthia M; Chappell, Richard J; Klein, Barbara E K; Klein, Ronald; Acher, Charles W

    2014-01-01

    Arterial stiffness may be associated with cognitive function. In this study, pulse wave velocity (PWV) was measured from the carotid to femoral (CF-PWV) and from the carotid to radial (CR-PWV) with the Complior SP System. Cognitive function was measured by 6 tests of executive function, psychomotor speed, memory, and language fluency. A total of 1433 participants were included (mean age 75 y, 43% men). Adjusting for age, sex, education, pulse rate, hemoglobin A1C, high-density lipoprotein cholesterol, hypertension, cardiovascular disease history, smoking, drinking, and depression symptoms, a CF-PWV>12 m/s was associated with a lower Mini-Mental State Examination score (coefficient: -0.31, SE: 0.11, P=0.005), fewer words recalled on Auditory Verbal Learning Test (coefficient: -1.10, SE: 0.43, P=0.01), and lower score on the composite cognition score (coefficient: -0.10, SE: 0.05, P=0.04) and marginally significantly associated with longer time to complete Trail Making Test-part B (coefficient: 6.30, SE: 3.41, P=0.06), CF-PWV was not associated with Trail Making Test-part A, Digit Symbol Substation Test, or Verbal Fluency Test. No associations were found between CR-PWV and cognitive performance measures. Higher large artery stiffness was associated with worse cognitive function, and longitudinal studies are needed to confirm these associations.

  19. Colombian ocean waves and coasts modeled by special functions

    NASA Astrophysics Data System (ADS)

    Duque Tisnés, Simón

    2013-06-01

    Modeling the ocean bottom and surface of both Atlantic and Pacific Oceans near the Colombian coast is a subject of increasing attention due to the possibility of finding oil deposits that haven't been discovered, and as a way of monitoring the ocean limits of Colombia with other countries not only covering the possibility of naval intrusion but as a chance to detect submarine devices that are used by illegal groups for different unwished purposes. In the development of this topic it would be necessary to use Standard Hydrodynamic Equations to model the mathematical shape of ocean waves that will take differential equations forms. Those differential equations will be solved using computer algebra software and methods. The mentioned solutions will involve the use of Special Functions such as Bessel Functions, Whittaker, Heun, and so on. Using the Special Functions mentioned above, the obtained results will be simulated by numerical methods obtaining the typical patterns around the Colombian coasts (both surface and bottom). Using this simulation as a non-perturbed state, any change in the patter could be taken as an external perturbation caused by a strange body or device in an specific area or region modeled, building this simulation as an ocean radar or an unusual object finder. It's worth mentioning that the use of stronger or more rigorous methods and more advanced Special Functions would generate better theoretical results, building a more accurate simulation model that would lead to a finest detection.

  20. The intensity correlation function in evanescent wave scattering.

    PubMed

    Cichocki, B; Wajnryb, E; Bławzdziewicz, J; Dhont, J K G; Lang, P R

    2010-02-21

    As a first step toward the interpretation of dynamic light scattering with evanescent illumination from suspensions of interacting spheres, in order to probe their near wall dynamics, we develop a theory for the initial slope of the intensity autocorrelation function. An expression for the first cumulant is derived that is valid for arbitrary concentrations, which generalizes a well-known expression for the short-time, wave-vector dependent collective diffusion coefficient in bulk to the case where a wall is present. Explicit expressions and numerical results for the various contributions to the initial slope are obtained within a leading order virial expansion. The dependence of the initial slope on the components of the wave vector parallel and perpendicular to the wall, as well as the dependence on the evanescent-light penetration depth are discussed. For the hydrodynamic interactions between colloids and between the wall, which are essential for a correct description of the near-interface dynamics, we include both far-field and lubrication contributions. Lubrication contributions are essential to capture the dynamics as probed in experiments with small penetration depths. Simulations have been performed to verify the theory and to estimate the extent of the concentration range where the virial expansion is valid. The computer algorithm developed for this purpose will also be of future importance for the interpretation of experiments and to develop an understanding of near-interface dynamics, at high colloid concentrations.

  1. Applying microscopy to the analysis of nuclear structure and function.

    PubMed

    Iborra, Francisco; Cook, Peter R; Jackson, Dean A

    2003-02-01

    One of the ultimate goals of biological research is to understand mechanisms of cell function within living organisms. With this in mind, many sophisticated technologies that allow us to inspect macromolecular structure in exquisite detail have been developed. Although knowledge of structure derived from techniques such as X-ray crystallography and nuclear magnetic resonance is of vital importance, these approaches cannot reveal the remarkable complexity of molecular interactions that exists in vivo. With this in mind, this review focuses on the use of microscopy techniques to analyze cell structure and function. We describe the different basic microscopic methodologies and how the routine techniques are best applied to particular biological problems. We also emphasize the specific capabilities and uses of light and electron microscopy and highlight their individual advantages and disadvantages. For completion, we also comment on the alternative possibilities provided by a variety of advanced imaging technologies. We hope that this brief analysis of the undoubted power of microscopy techniques will be enough to stimulate a wider participation in this rapidly developing area of biological discovery.

  2. Nuclear receptors CAR and PXR: Molecular, functional, and biomedical aspects.

    PubMed

    di Masi, Alessandra; De Marinis, Elisabetta; Ascenzi, Paolo; Marino, Maria

    2009-10-01

    Nuclear receptors (NRs) are ligand-activated transcription factors sharing a common evolutionary history and having similar sequence features at the protein level. Selective ligand(s) for some NRs is not known, therefore these NRs have been named "orphan receptors". Whenever ligands have been recognized for any of the orphan receptor, it has been categorized and grouped as "adopted" orphan receptor. This group includes the constitutive androstane receptor (CAR) and the pregnane X receptor (PXR). They function as sensors of toxic byproducts derived from endogenous metabolites and of exogenous chemicals, in order to enhance their elimination. This unique function of CAR and PXR sets them apart from the steroid hormone receptors. The broad response profile has established that CAR and PXR are xenobiotic sensors that coordinately regulate xenobiotic clearance in the liver and intestine via induction of genes involved in drug and xenobiotic metabolism. In the past few years, research has revealed new and mostly unsuspected roles for CAR and PXR in modulating hormone, lipid, and energy homeostasis as well as cancer and liver steatosis. The purpose of this review is to highlight the structural and molecular bases of CAR and PXR impact on human health, providing information on mechanisms through which diet, chemical exposure, and environment ultimately impact health and disease.

  3. Quantum entanglement of helium-like systems with varying-Z: compact state-of-the-art CI wave functions

    NASA Astrophysics Data System (ADS)

    López-Rosa, S.; Esquivel, R. O.; Plastino, A. R.; Dehesa, J. S.

    2015-09-01

    In this work we have performed state-of-the-art configuration-interaction (CI) calculations to determine the linear and von Neumann entanglement entropies for the helium-like systems with varying nuclear charge Z in the range 1≤slant Z≤slant 10. The focus of the work resides on determining accurate entanglement values for 2-electron systems with the lowest computational cost through compact CI-wave functions. Our entanglement results for the helium atom fully agree with the results obtained with higher quality wave functions of the Kinoshita type (Dehesa [5]). We find that the correlation energy is linearly related to the entanglement measures associated with the linear and von Neumann entropies of the single-particle reduced density matrizes, which sheds new light on the physical implications of entanglement in helium-like systems. Moreover, we report CI-wave-function-based benchmark results for the entanglement values for all members of the helium isoelectronic series with an accuracy similar to that of Kinoshita-type wave functions. Finally, we give parametric expressions of the linear and von Neumann entanglement measures for two-electron systems as Z varies from 1 to 10.

  4. 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.

  5. 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.

  6. Exploring correlations in the CGC wave function: Odd azimuthal anisotropy

    NASA Astrophysics Data System (ADS)

    Kovner, Alex; Lublinsky, Michael; Skokov, Vladimir

    2017-07-01

    We extend the color glass condensate (CGC) approach to a calculation of the double inclusive gluon production by including the high density effect in the CGC wave function of the projectile (proton). Our main result is that these effects lead to the appearance of odd harmonics in the two particle correlation C (k ,p ) . We find that in the high momentum limit, |k |,|p |≫Qs , this results in a positive c1{2 }. Additionally when the magnitudes of the two momenta are approximately equal, |k |/|p |≈1 , the density effects also generate a positive third harmonic c3{2 }, which translates into a nonvanishing v3 when the momenta of the trigger and an associated particle are in the same momentum bin. The sign of c3{2 } becomes negative when |k |/|p |>1.1 suggesting an interesting experimental signature.

  7. Wave functions' discernibility and the role of fluctuations

    NASA Astrophysics Data System (ADS)

    Casas, M.; Lamberti, P. W.; Plastino, A.; Plastino, A. R.; Roston, G.

    2005-05-01

    The question of distinguishability of quantum states is at the heart of quantum information processing, an issue is here addressed with reference to different distances in probability space vis-a-vis metrics in Hilbert's one. We provide further reconfirmation of Wootters' hypothesis: the possibility that statistical fluctuations in the outcomes of measurements be regarded as responsible for the Hilbert-space structure of quantum mechanics, a view that becomes here considerably strengthened. We show that distances between neighboring states, whether of statistical or Hilbert's metric origin, have as a lower bound Fisher's measure, up to second-order approximation. As a consequence, the structure of the vicinity of a given quantum state is to a large extent determined by the fluctuations of the pertinent observables. It is also shown that Tsallis' non-extensivity parameter q can be used as a tool for increasing discernibility between wave functions.

  8. The one loop gluon emission light cone wave function

    NASA Astrophysics Data System (ADS)

    Lappi, T.; Paatelainen, R.

    2017-04-01

    Light cone perturbation theory has become an essential tool to calculate cross sections for various small- x dilute-dense processes such as deep inelastic scattering and forward proton-proton and proton-nucleus collisions. Here we set out to do one loop calculations in an explicit helicity basis in the four dimensional helicity scheme. As a first process we calculate light cone wave function for one gluon emission to one-loop order in Hamiltonian perturbation theory on the light front. We regulate ultraviolet divergences with transverse dimensional regularization and soft divergences using a cut-off on longitudinal momentum. We show that when all the renormalization constants are combined, the ultraviolet divergences can be absorbed into the standard QCD running coupling constant, and give an explicit expression for the remaining finite part.

  9. 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

  10. Probing spontaneous wave-function collapse with entangled levitating nanospheres

    NASA Astrophysics Data System (ADS)

    Zhang, Jing; Zhang, Tiancai; Li, Jie

    2017-01-01

    Wave-function collapse models are considered to be the modified theories of standard quantum mechanics at the macroscopic level. By introducing nonlinear stochastic terms in the Schrödinger equation, these models (different from standard quantum mechanics) predict that it is fundamentally impossible to prepare macroscopic systems in macroscopic superpositions. The validity of these models can only be examined by experiments, and hence efficient protocols for these kinds of experiments are greatly needed. Here we provide a protocol that is able to probe the postulated collapse effect by means of the entanglement of the center-of-mass motion of two nanospheres optically trapped in a Fabry-Pérot cavity. We show that the collapse noise results in a large reduction of the steady-state entanglement, and the entanglement, with and without the collapse effect, shows distinguishable scalings with certain system parameters, which can be used to determine unambiguously the effect of these models.

  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. From Bethe-Salpeter Wave Functions to Generalised Parton Distributions

    SciTech Connect

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

    2016-06-06

    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. A 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

  13. Orientation dynamics of asymmetric rotors using random phase wave functions

    NASA Astrophysics Data System (ADS)

    Kallush, Shimshon; Fleischer, Sharly

    2015-06-01

    Intense terahertz-frequency pulses induce coherent rotational dynamics and orientation of polar molecular ensembles. Exact numerical methods for rotational dynamics at room temperature are computationally not feasible for the vast majority of molecular rotors: the asymmetric top molecules at ambient temperatures. We exemplify the use of random phase wave functions (RPWFs) by calculating the terahertz-induced rotational dynamics of sulfur dioxide at ambient temperatures and high-field strengths and show that the RPWF method gains efficiency with the increase in temperature and in the terahertz-field strengths. The present method provides wide-ranging computational access to rotational dynamical responses of molecules at experimental conditions that are far beyond the reach of exact numerical methods.

  14. Color spin wave functions of heavy tetraquark states

    NASA Astrophysics Data System (ADS)

    Park, Woosung; Lee, Su Houng

    2014-05-01

    Using the variational method, we calculate the mass of the JP=1+udbbarbbar tetraquark containing two identical heavy antiquarks in a nonrelativistic potential model with color confinement and spin hyperfine interaction. In particular, we extend a previous investigation of the model by Brink and Stancu by investigating the effect of including the color anti-sextet component of the diquark configuration as well as using several more Gaussian parametrization for the L=0 part of the spatial wave function. We find that for the heavy tetraquark, the 66bar component among the color singlet bases is negligible and that the previously used specific Gaussian spatial configuration is good enough in obtaining the ground state energy.

  15. 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.

  16. Exploring correlations in the CGC wave function: Odd azimuthal anisotropy

    DOE PAGES

    Kovner, Alex; Lublinsky, Michael; Skokov, Vladimir

    2017-07-17

    In this paper, we extend the color glass condensate (CGC) approach to a calculation of the double inclusive gluon production by including the high density effect in the CGC wave function of the projectile (proton). Our main result is that these effects lead to the appearance of odd harmonics in the two particle correlation C(k,p). We find that in the high momentum limit, |k|, |p| >> Qs, this results in a positive c1{2}. Additionally when the magnitudes of the two momenta are approximately equal, |k|/|p| ≈ 1, the density effects also generate a positive third harmonic c3{2}, which translates intomore » a nonvanishing v3 when the momenta of the trigger and an associated particle are in the same momentum bin. Finally, the sign of c3{2} becomes negative when |k|/|p| > 1.1 suggesting an interesting experimental signature.« less

  17. Precise wave-function engineering with magnetic resonance

    NASA Astrophysics Data System (ADS)

    Wigley, P. B.; Starkey, L. M.; Szigeti, S. S.; Jasperse, M.; Hope, J. J.; Turner, L. D.; Anderson, R. P.

    2017-07-01

    Controlling quantum fluids at their fundamental length scale will yield superlative quantum simulators, precision sensors, and spintronic devices. This scale is typically below the optical diffraction limit, precluding precise wave-function engineering using optical potentials alone. We present a protocol to rapidly control the phase and density of a quantum fluid down to the healing length scale using strong time-dependent coupling between internal states of the fluid in a magnetic field gradient. We demonstrate this protocol by simulating the creation of a single stationary soliton and double soliton states in a Bose-Einstein condensate with control over the individual soliton positions and trajectories, using experimentally feasible parameters. Such states are yet to be realized experimentally, and are a path towards engineering soliton gases and exotic topological excitations.

  18. 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.

  19. Unitary networks from the exact renormalization of wave functionals

    NASA Astrophysics Data System (ADS)

    Fliss, Jackson R.; Leigh, Robert G.; Parrikar, Onkar

    2017-06-01

    The exact renormalization group (ERG) for O (N ) vector models (at large N ) on flat Euclidean space can be interpreted as the bulk dynamics corresponding to a holographically dual higher spin gauge theory on AdSd +1. This was established in the sense that at large N the generating functional of correlation functions of single-trace operators is reproduced by the on-shell action of the bulk higher spin theory, which is most simply presented in a first-order (phase space) formalism. In this paper, we extend the ERG formalism to the wave functionals of arbitrary states of the O (N ) vector model at the free fixed point. We find that the ERG flow of the ground state and a specific class of excited states is implemented by the action of unitary operators which can be chosen to be local. Consequently, the ERG equations provide a continuum notion of a tensor network. We compare this tensor network with the entanglement renormalization networks, MERA, and its continuum version, cMERA, which have appeared recently in holographic contexts. In particular, the ERG tensor network appears to share the general structure of cMERA but differs in important ways. We comment on possible holographic implications.

  20. Generalized nuclear Fukui functions in the framework of spin-polarized density-functional theory

    SciTech Connect

    Chamorro, E.; Proft, F. de; Geerlings, P.

    2005-08-22

    An extension of Cohen's nuclear Fukui function is presented in the spin-polarized framework of density-functional theory (SP-DFT). The resulting new nuclear Fukui function indices {phi}{sub N{alpha}} and {phi}{sub S{alpha}} are intended to be the natural descriptors for the responses of the nuclei to changes involving charge transfer at constant multiplicity and also the spin polarization at constant number of electrons. These generalized quantities allow us to gain new insights within a perturbative scheme based on DFT. Calculations of the electronic and nuclear SP-DFT quantities are presented within a Kohn-Sham framework of chemical reactivity for a sample of molecules, including H{sub 2}O, H{sub 2}CO, and some simple nitrenes (NX) and phosphinidenes (PX), with X=H, Li, F, Cl, OH, SH, NH{sub 2}, and PH{sub 2}. Results have been interpreted in terms of chemical bonding in the context of Berlin's theorem, which provides a separation of the molecular space into binding and antibinding regions.

  1. 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.

  2. 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.

  3. Relation between equal-time and light-front wave functions

    SciTech Connect

    Miller, Gerald A.; Tiburzi, Brian C.

    2010-03-15

    The relation between equal-time and light-front wave functions is studied using models for which the four-dimensional solution of the Bethe-Salpeter wave function can be obtained. The popular prescription of defining the longitudinal momentum fraction using the instant-form free kinetic energy and third component of momentum is found to be incorrect except in the nonrelativistic limit. One may obtain light-front wave functions from rest-frame, instant-form wave functions by boosting the latter wave functions to the infinite momentum frame. Despite this difficulty, we prove a relation between certain integrals of the equal-time and light-front wave functions.

  4. Tracking nuclear wave-packet dynamics in molecular oxygen ions with few-cycle infrared laser pulses

    SciTech Connect

    De, S.; Bocharova, I. A.; Magrakvelidze, M.; Ray, D.; Cao, W.; Thumm, U.; Cocke, C. L.; Bergues, B.; Kling, M. F.; Litvinyuk, I. V.

    2010-07-15

    We have tracked nuclear wave-packet dynamics in doubly charged states of molecular oxygen using few-cycle infrared laser pulses. Bound and dissociating wave packets were launched and subsequently probed via a pair of 8-fs pulses of 790 nm radiation. Ionic fragments from the dissociating molecules were monitored by velocity-map imaging. Pronounced oscillations in the delay-dependent kinetic energy release spectra were observed. The occurrence of vibrational revivals permits us to identify the potential curves of the O{sub 2} dication which are most relevant to the molecular dynamics. These studies show the accessibility to the dynamics of such higher-charged molecules.

  5. Nuclear Containment Inspection Using AN Array of Guided Wave Sensors for Damage Localization

    NASA Astrophysics Data System (ADS)

    Cobb, A. C.; Fisher, J. L.

    2010-02-01

    Nuclear power plant containments are typically both the last line of defense against the release of radioactivity to the environment and the first line of defense to protect against intrusion from external objects. As such, it is important to be able to locate any damage that would limit the integrity of the containment itself. Typically, a portion of the containment consists of a metallic pressure boundary that encloses the reactor primary circuit. It is made of thick steel plates welded together, lined with concrete and partially buried, limiting areas that can be visually inspected for corrosion damage. This study presents a strategy using low frequency (<50 kHz) guided waves to find corrosion-like damage several meters from the probe in a mock-up of the containment vessel. A magnetostrictive sensor (MsS) is scanned across the width of the vessel, acquiring waveforms at a fixed interval. A beam forming strategy is used to localize the defects. Experimental results are presented for a variety of damage configurations, demonstrating the efficacy of this technique for detecting damage smaller than the ultrasonic wavelength.

  6. Asymptotics of three-body bound state radial wave functions of halo nuclei involving two charged particles

    NASA Astrophysics Data System (ADS)

    Yarmukhamedov, R.

    2017-01-01

    Asymptotic expressions for the radial and full wave functions of a three-body bound halo nuclear system with two charged particles in relative coordinates are obtained in explicit form, when the relative distance between two particles tends to infinity. The obtained asymptotic forms are applied to the analysis of the asymptotic behavior of the three-body (pnα) wave functions for the halo (E* = 3.562 MeV, Jπ =0+, T = 1) state of 6Li derived by D. Baye within the Lagrange-mesh method for two forms of the αN-potential. The agreement between the calculated wave function and the asymptotic formula is excellent for distances up to 30 fm. Information about the values of the three-body asymptotic normalization functions is extracted. It is shown that the extracted values of the three-body asymptotic normalization function are sensitive to the form of the αN-potential. The mirror symmetry is revealed for the three-body asymptotic normalization functions derived for the isobaric (6He, 6Li*) pair.

  7. Vibrational structure theory: new vibrational wave function methods for calculation of anharmonic vibrational energies and vibrational contributions to molecular properties.

    PubMed

    Christiansen, Ove

    2007-06-21

    A number of recently developed theoretical methods for the calculation of vibrational energies and wave functions are reviewed. Methods for constructing the appropriate quantum mechanical Hamilton operator are briefly described before reviewing a particular branch of theoretical methods for solving the nuclear Schrödinger equation. The main focus is on wave function methods using the vibrational self-consistent field (VSCF) as starting point, and includes vibrational configuration interaction (VCI), vibrational Møller-Plesset (VMP) theory, and vibrational coupled cluster (VCC) theory. The convergence of the different methods towards the full vibrational configuration interaction (FVCI) result is discussed. Finally, newly developed vibrational response methods for calculation of vibrational contributions to properties, energies, and transition probabilities are discussed.

  8. Understanding Nuclear Receptor Form and Function Using Structural Biology

    PubMed Central

    Rastinejad, Fraydoon; Huang, Pengxiang; Chandra, Vikas; Khorasanizadeh, Sepideh

    2013-01-01

    Nuclear receptors (NR) are a major transcription factor family whose members selectively bind small molecule lipophilic ligands and transduce those signals into specific changes in gene programs. For over two decades, structural biology efforts were directed exclusively on the individual ligand binding domains (LBDs) or DNA binding domains (DBDs) of NRs. These analyses revealed the basis for both ligand and DNA binding, and also revealed receptor conformations representing both the activated and repressed states. Additionally, crystallographic studies explained how NR LBD surfaces recognize discrete portions of transcriptional coregulators. The many structural snapshots of LBDs have also guided the development of synthetic ligands with therapeutic potential. Yet, the exclusive structural focus on isolated NR domains has made it difficult to conceptualize how all the NR polypeptide segments are coordinated physically and functionally in the context of receptor quaternary architectures. Newly emerged crystal structures of the PPARγ-RXRα heterodimer and HNF-4α homodimer have recently revealed the higher order organizations of these receptor complexes on DNA, as well as the complexity and uniqueness of their domain-domain interfaces. These emerging structural advances promise to better explain how signals in one domain can be allosterically transmitted to distal receptor domains, also providing much better frameworks for guiding future drug discovery efforts. PMID:24103914

  9. Isovector response function of hot nuclear matter with Skyrme interactions

    SciTech Connect

    Braghin, F.L.; Vautherin, D.; Abada, A.

    1995-11-01

    We investigate the role of the effective nucleon-nucleon interaction in the description of giant dipole resonances in hot nuclei. For this purpose we calculate the response function of hot nuclear matter to a small isovector external perturbation using various effective Skyrme interactions. We find that for Skyrme forces with an effective mass close to unity an undamped zero sound mode occurs at zero temperature. This mode gives rise in finite nuclei (calculated via the Steinwedel-Jenssen model) to a resonance whose energy agrees with the observed value. We find that zero sound disappears at a temperature of a few MeV, leaving only a broad peak in the dipole strength. For Skyrme forces with a small value of the effective mass (0.4), there is no zero sound at zero temperature but only a weak peak located too high in energy. The strength distribution in this case is nearly independent of temperature and shows small collective effects. The relevance of these results for the saturation of photon multiplicities observed in recent experiments is pointed out.

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

    SciTech Connect

    Ritboon, Atirach; Daengngam, Chalongrat; Pengpan, Teparksorn

    2016-08-15

    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.

  11. 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.

  12. 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.

  13. 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.

  14. Higher twist parton distributions from light-cone wave functions

    SciTech Connect

    Braun, V. M.; Lautenschlager, T.; Pirnay, B.; Manashov, A. N.

    2011-05-01

    We explore the possibility to construct higher-twist parton distributions in a nucleon at some low reference scale from convolution integrals of the light-cone wave functions (WFs). To this end we introduce simple models for the four-particle nucleon WFs involving three valence quarks and a gluon with total orbital momentum zero, and estimate their normalization (WF at the origin) using QCD sum rules. We demonstrate that these WFs provide one with a reasonable description of both polarized and unpolarized parton densities at large values of the Bjorken variable x{>=}0.5. Twist-three parton distributions are then constructed as convolution integrals of qqqg and the usual three-quark WFs. The cases of the polarized structure function g{sub 2}(x,Q{sup 2}) and single transverse spin asymmetries are considered in detail. We find that the so-called gluon pole contribution to twist-three distributions relevant for single spin asymmetry vanishes in this model, but is generated perturbatively at higher scales by the evolution, in the spirit of Glueck-Reya-Vogt parton distributions.

  15. Wave field localization in a prestressed functionally graded layer

    NASA Astrophysics Data System (ADS)

    Belyankova, T. I.; Kalinchuk, V. V.

    2017-05-01

    Characteristic features of wave field formation caused by a surface source of harmonic vibration in a prestressed functionally graded layer are investigated. It is assumed that the elastic moduli and the density of the material vary with depth according to arbitrary laws. The initial material of the medium is represented by a model hyperelastic material with third-order elastic moduli. The boundary-value problem for a set of Lamè equations is reduced to a set of Cauchy problems with initial conditions, which is solved by the Runge-Kutta-Merson method modified to fit the specific problem under study. Considering shear vibrations of a functionally graded layer as an example, effects of the type of its inhomogeneity, variations in its properties, and nature of its initial stressed state on the displacement distribution in depth are investigated. Special attention is paid to characteristic features of displacement localization in a layer with an interface-type inclusion near critical frequencies. A direct relation between the inhomogeneous layer structure and the type of displacement localization in depth is demonstrated. It is found that the role of initial stresses and variations in material parameters considerably increases in the vicinities of critical frequencies.

  16. An Absence of Nuclear Lamins in Keratinocytes Leads to Ichthyosis, Defective Epidermal Barrier Function, and Intrusion of Nuclear Membranes and Endoplasmic Reticulum into the Nuclear Chromatin

    PubMed Central

    Jung, Hea-Jin; Tatar, Angelica; Tu, Yiping; Nobumori, Chika; Yang, Shao H.; Goulbourne, Chris N.; Herrmann, Harald

    2014-01-01

    B-type lamins (lamins B1 and B2) have been considered to be essential for many crucial functions in the cell nucleus (e.g., DNA replication and mitotic spindle formation). However, this view has been challenged by the observation that an absence of both B-type lamins in keratinocytes had no effect on cell proliferation or the development of skin and hair. The latter findings raised the possibility that the functions of B-type lamins are subserved by lamins A and C. To explore that idea, we created mice lacking all nuclear lamins in keratinocytes. Those mice developed ichthyosis and a skin barrier defect, which led to death from dehydration within a few days after birth. Microscopy of nuclear-lamin-deficient skin revealed hyperkeratosis and a disordered stratum corneum with an accumulation of neutral lipid droplets; however, BrdU incorporation into keratinocytes was normal. Skin grafting experiments confirmed the stratum corneum abnormalities and normal BrdU uptake. Interestingly, the absence of nuclear lamins in keratinocytes resulted in an interspersion of nuclear/endoplasmic reticulum membranes with the chromatin. Thus, a key function of the nuclear lamina is to serve as a “fence” and prevent the incursion of cytoplasmic organelles into the nuclear chromatin. PMID:25312645

  17. Experiments with claw models explain the function of the waving display of Ilyoplax pusilla (Brachyura: Dotillidae).

    PubMed

    Izumi, Daichi; Kawano, Yoko; Henmi, Yasuhisa

    2016-01-01

    Males of the dotillid crab, Ilyoplax pusilla, perform waving displays during the reproductive season. Unlike many fiddler crabs (genus Uca), however, the function of the waving display is unclear for this species. Experiments using waving and static claw models over short (10 cm) and long (25 cm) distances were conducted to investigate responses by wandering females to artificial waving signals. In long-distance choice experiments, presuming undirected waving to unseen females as broadcast waving, females were equally likely to approach the waving and static claw sections during the non-reproductive season, but significantly more females (65 %) chose the waving claw section during the reproductive season. In short-distance choice experiments, presuming directed courtship waving toward a particular female, there was no significant difference between the waving and static claw models during the non-reproductive season, but significantly more females (88 %) chose the waving claw during the reproductive season. These results suggest that one function of the waving display of I. pusilla is mate attraction and that waving from a short distance is more effective.

  18. 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).

  19. P-wave Receiver Functions reveal the Bohemian Massif crust

    NASA Astrophysics Data System (ADS)

    Kampfova Exnerova, Hana; Plomerova, Jaroslava; Vecsey, Ludek

    2015-04-01

    In this study we present initial results of P-wave Receiver Functions (RF) calculated from broad-band waveforms of teleseismic events recorded by temporary and permanent stations in the Bohemian Massif (BM, Central Europe). Temporary arrays BOHEMA I (2001-2003), BOHEMA II (2004-2005) and BOHEMA III (2005-2006) operated during passive seismic experiments oriented towards studying velocity structure of the lithosphere and the upper mantle. Receiver Functions show relative response of the Earth structure under a seismic station and nowadays represent frequently-used method to retrieve structure of the crust, whose knowledge is needed in various studies of the upper mantle. The recorded waveforms are composites of direct P and P-to-S converted waves that reverberate in the structure beneath the receiver (Ammon, 1997). The RFs are sensitive to seismic velocity contrast and are thus suited to identifying velocity discontinuities in the crust, including the Mohorovičić discontinuity (Moho). Relative travel-time delays of the converted phases detected in the RFs are transformed into estimates of discontinuity depths assuming external information on the vp/vs and P velocity. To evaluate RFs we use the Multiple-taper spectral correlation (MTC) method (Park and Levin, 2000) and process signals from teleseismic events at epicentral distances of 30 - 100° with magnitude Mw > 5.5. Recordings are filtered with Butterworth band-pass filter of 2 - 8 s. To select automatically signals which are strong enough, we calculate signal-to-noise ratios (SNR) in two steps. In the first step we calculate SNR for signals from intervals (-1s, 3s)/(-10s, -2s), where P-arrival time represent time zero. In the second step we broaden the intervals and calculate SNR for (-1s, 9s)/(-60s, -2s). We also employ forward modelling of the RFs using Interactive Receiver Functions Forward Modeller (IRFFM) (Tkalčić et al., 2010) to produce, in the first step, one-dimensional velocity models under

  20. Shadow wave-function variational calculations of crystalline and liquid phases of 4He

    NASA Astrophysics Data System (ADS)

    Vitiello, S. A.; Runge, K. J.; Chester, G. V.; Kalos, M. H.

    1990-07-01

    A new class of variational wave functions for boson systems, shadow wave functions, is used to investigate the properties of solid and liquid 4He. The wave function is translationally invariant and symmetric under particle interchange. In principle, the calculations for the crystalline phase do not require the use of any auxiliary lattice. Using the Metropolis Monte Carlo algorithm, we show that the additional variational degrees of freedom in the wave function lower the energy significantly. This wave function also allows the crystalization of an equilibrated liquid phase when a crystalline seed is used. The pair correlation function and structure factor S(k) are determined in the liquid phase. The condensate fraction is calculated as well. Results are given for the single-particle distribution function around the lattice positions in the solid phase.

  1. Nuclear medical determination of left ventricular diastolic function in coronary heart disease

    SciTech Connect

    Brugger, P.; Laesser, W.K.; Kullich, W.; Stoiberer, I.; Klein, G.

    1985-06-01

    In 64 patients with coronary heart disease, the left ventricular diastolic function was determined by means of a new nuclear medical method (nuclear stethoscope). The investigations revealed an abnormal diastolic filling in 85.9% of the cases on the basis of the parameters peak filling rate and time to peak filling rate as manifestation of a disturbed ventricular function.

  2. 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.

  3. 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

  4. 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

  5. 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.

  6. Physical and functional interaction of human nuclear uracil-DNA glycosylase with proliferating cell nuclear antigen☆

    PubMed Central

    Ko, Rinkei; Bennett, Samuel E.

    2011-01-01

    Uracil residues arise in DNA by the misincorporation of dUMP in place of dTMP during DNA replication or by the deamination of cytosine in DNA. Uracil-DNA glycosylase initiates DNA base excision repair of uracil residues by catalyzing the hydrolysis of the N-glycosylic bond linking the uracil base to deoxyribose. In human cells, the nuclear form of uracil-DNA glycosylase (UNG2) contains a conserved PCNA-binding motif located at the N-terminus that has been implicated experimentally in binding PCNA. Here we use purified preparations of UNG2 and PCNA to demonstrate that UNG2 physically associates with PCNA. UNG2 co-eluted with PCNA during size exclusion chromatography and bound to a PCNA affinity column. Association of UNG2 with PCNA was abolished by the addition of 100 mM NaCl, and significantly decreased in the presence of 10 mM MgCl2. The functional significance of the UNG2·PCNA association was demonstrated by UNG2 activity assays. Addition of PCNA (30–810 pmol) to standard uracil-DNA glycosylase reactions containing linear [uracil-3H]DNA stimulated UNG2 catalytic activity up to 2.6-fold. UNG2 activity was also stimulated by 7.5 mM MgCl2. The stimulatory effect of PCNA was increased by the addition of MgCl2; however, the dependence on PCNA concentration was the same, indicating that the effects of MgCl2 and PCNA on UNG2 activity occurred by independent mechanisms. Loading of PCNA onto the DNA substrate was required for stimulation, as the activity of UNG2 on circular DNA substrates was not affected by the addition of PCNA. Addition of replication factor C and ATP to reactions containing 90 pmol of PCNA resulted in two-fold stimulation of UNG2 activity on circular DNA. PMID:16216562

  7. A single-sided representation for the homogeneous Green's function of a unified scalar wave equation.

    PubMed

    Wapenaar, Kees

    2017-06-01

    A unified scalar wave equation is formulated, which covers three-dimensional (3D) acoustic waves, 2D horizontally-polarised shear waves, 2D transverse-electric EM waves, 2D transverse-magnetic EM waves, 3D quantum-mechanical waves and 2D flexural waves. The homogeneous Green's function of this wave equation is a combination of the causal Green's function and its time-reversal, such that their singularities at the source position cancel each other. A classical representation expresses this homogeneous Green's function as a closed boundary integral. This representation finds applications in holographic imaging, time-reversed wave propagation and Green's function retrieval by cross correlation. The main drawback of the classical representation in those applications is that it requires access to a closed boundary around the medium of interest, whereas in many practical situations the medium can be accessed from one side only. Therefore, a single-sided representation is derived for the homogeneous Green's function of the unified scalar wave equation. Like the classical representation, this single-sided representation fully accounts for multiple scattering. The single-sided representation has the same applications as the classical representation, but unlike the classical representation it is applicable in situations where the medium of interest is accessible from one side only.

  8. Functional analysis of the nuclear LIM domain interactor NLI.

    PubMed Central

    Jurata, L W; Gill, G N

    1997-01-01

    LIM homeodomain and LIM-only (LMO) transcription factors contain two tandemly arranged Zn2+-binding LIM domains capable of mediating protein-protein interactions. These factors have restricted patterns of expression, are found in invertebrates as well as vertebrates, and are required for cell type specification in a variety of developing tissues. A recently identified, widely expressed protein, NLI, binds with high affinity to the LIM domains of LIM homeodomain and LMO proteins in vitro and in vivo. In this study, a 38-amino-acid fragment of NLI was found to be sufficient for the association of NLI with nuclear LIM domains. In addition, NLI was shown to form high affinity homodimers through the amino-terminal 200 amino acids, but dimerization of NLI was not required for association with the LIM homeodomain protein Lmxl. Chemical cross-linking analysis revealed higher-order complexes containing multiple NLI molecules bound to Lmx1, indicating that dimerization of NLI does not interfere with LIM domain interactions. Additionally, NLI formed complexes with Lmx1 on the rat insulin I promoter and inhibited the LIM domain-dependent synergistic transcriptional activation by Lmx1 and the basic helix-loop-helix protein E47 from the rat insulin I minienhancer. These studies indicate that NLI contains at least two functionally independent domains and may serve as a negative regulator of synergistic transcriptional responses which require direct interaction via LIM domains. Thus, NLI may regulate the transcriptional activity of LIM homeodomain proteins by determining specific partner interactions. PMID:9315627

  9. Decoding the function of nuclear long non-coding RNAs.

    PubMed

    Chen, Ling-Ling; Carmichael, Gordon G

    2010-06-01

    Long non-coding RNAs (lncRNAs) are mRNA-like, non-protein-coding RNAs that are pervasively transcribed throughout eukaryotic genomes. Rather than silently accumulating in the nucleus, many of these are now known or suspected to play important roles in nuclear architecture or in the regulation of gene expression. In this review, we highlight some recent progress in how lncRNAs regulate these important nuclear processes at the molecular level. Copyright 2010 Elsevier Ltd. All rights reserved.

  10. Excitation spectra and wave functions of quasiparticle bound states in bilayer Rashba superconductors

    NASA Astrophysics Data System (ADS)

    Higashi, Yoichi; Nagai, Yuki; Yoshida, Tomohiro; Kato, Masaru; Yanase, Youichi

    2015-11-01

    We study the excitation spectra and the wave functions of quasiparticle bound states at a vortex and an edge in bilayer Rashba superconductors under a magnetic field. In particular, we focus on the quasiparticle states at the zero energy in the pair-density wave state in a topologically non-trivial phase. We numerically demonstrate that the quasiparticle wave functions with zero energy are localized at both the edge and the vortex core if the magnetic field exceeds the critical value.

  11. Newton force from wave function collapse: speculation and test

    NASA Astrophysics Data System (ADS)

    Diósi, Lajos

    2014-04-01

    The Diosi-Penrose model of quantum-classical boundary postulates gravity-related spontaneous wave function collapse of massive degrees of freedom. The decoherence effects of the collapses are in principle detectable if not masked by the overwhelming environmental decoherence. But the DP (or any other, like GRW, CSL) spontaneous collapses are not detectable themselves, they are merely the redundant formalism of spontaneous decoherence. To let DP collapses become testable physics, recently we extended the DP model and proposed that DP collapses are responsible for the emergence of the Newton gravitational force between massive objects. We identified the collapse rate, possibly of the order of 1/ms, with the rate of emergence of the Newton force. A simple heuristic emergence (delay) time was added to the Newton law of gravity. This non-relativistic delay is in peaceful coexistence with Einstein's relativistic theory of gravitation, at least no experimental evidence has so far surfaced against it. We derive new predictions of such a 'lazy' Newton law that will enable decisive laboratory tests with available technologies. The simple equation of 'lazy' Newton law deserves theoretical and experimental studies in itself, independently of the underlying quantum foundational considerations.

  12. 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.

  13. The universal wave function interpretation of string theory

    NASA Astrophysics Data System (ADS)

    Zhi Gang, Sha; Xiu, Rulin

    2016-11-01

    In this work, we will show that a deeper understanding of space-time provided by both quantum physics and general relativity can lead to a new way to understand string theory. This new way of understanding and applying string theory, the universal wave function interpretation of string theory (UWFIST), may yield to a more powerful string theory and testable prediction. We will show how to derive UWFIST and what new result we can obtain from UWFIST. We will demonstrate that UWFIST indicates that the observed space-time and all phenomena are the projections from the world-sheet hologram. UWFIST provides the possible source for dark energy and dark matter and the explanation about why the dark energy and dark matter is beyond the detection of our current detector. We will show that UWFIST may also yield correct prediction of the cosmological constant to be of the order 10-121 in the unit of Planck scale. It may also help us understand and derive the energy source for inflation and the flatness of our observed 4-dimensional universe. UWFIST may also make other testable predictions that may be detected by interferometers. We conclude that UWFIST has the potential to make string theory a more powerful physics theory that can yield testable predictions. It is worth further investigation by more physicists.

  14. Universal edge information from wave-function deformation

    NASA Astrophysics Data System (ADS)

    Ho, Wen Wei; Cincio, Lukasz; Moradi, Heidar; Vidal, Guifre

    2017-06-01

    It is well known that the bulk physics of a topological phase constrains its possible edge physics through the bulk-edge correspondence. Therefore, the different types of edge theories that a topological phase can host constitute a universal piece of data which can be used to characterize topological order. In this paper, we argue that, beginning from only the fixed-point wave function (FPW) of a nonchiral topological phase and by locally deforming it, all possible edge theories can be extracted from its entanglement Hamiltonian (EH). We give a general argument, and concretely illustrate our claim by deforming the FPW of the Wen-plaquette model, the quantum double of Z2. In that case, we show that the possible EHs of the deformed FPW reflect the known possible types of edge theories, which are generically gapped but gapless if translational symmetry is preserved. We stress that our results do not require an underlying Hamiltonian—thus, this lends support to the notion that a topological phase is indeed characterized by only a set of quantum states and can be studied through its FPWs.

  15. 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.

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

    PubMed Central

    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. PMID:22540024

  17. 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

  18. Trapping mechanism for long waves over circular islands with power function profiles

    NASA Astrophysics Data System (ADS)

    Zheng, Jinhai; Fu, Danjuan; Wang, Gang

    2017-08-01

    Long waves such as tsunamis can be trapped by islands due to wave refraction, and these trapped waves will cause huge damage even in the sheltered shoreline of the island. That all waves propagating into the topography and finally reaching the coastline are called perfect trapped modes, while any waves escaping from the topography are called leaky modes. Whether these long waves can be trapped is dependent on the depth profile of the island. This paper presents analytic solutions of the ray path for waves propagating into the circular island with power function profiles. Wave height distributions over the island are further investigated based on the principia that crowded rays correspond to large wave height and sparse rays correspond to small wave height. The trapped mechanism for water waves over the island is revealed based on their ray paths. Furthermore, the perfectly trapped criterion is derived, that is, when the slope gradient at the topography toe is greater than twice the ratio of the water depth to the radial distances, all wave rays propagating on the island will finally reach the coastline, and the waves are perfectly trapped.

  19. 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.

  20. 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.

  1. Effects of millimeter-wave electromagnetic exposure on the morphology and function of human cryopreserved spermatozoa.

    PubMed

    Volkova, N A; Pavlovich, E V; Gapon, A A; Nikolov, O T

    2014-09-01

    Exposure of human cryopreserved spermatozoa to millimeter-wave electromagnetic radiation of 0.03 mW/cm2 density for 5 min in normozoospermia and for 15 min in asthenozoospermia lead to increase of the fraction of mobile spermatozoa without impairing the membrane integrity and nuclear chromatin status and without apoptosis generation.

  2. Formation of selfbound states in a one-dimensional nuclear model—a renormalization group based density functional study

    NASA Astrophysics Data System (ADS)

    Kemler, Sandra; Pospiech, Martin; Braun, Jens

    2017-01-01

    In nuclear physics, density functional theory (DFT) provides the basis for state-of-the art studies of ground-state properties of heavy nuclei. However, the direct relation of the density functional underlying these calculations and the microscopic nuclear forces is not yet fully understood. We present a combination of DFT and renormalization group (RG) techniques which allows to study selfbound many-body systems from microscopic interactions. We discuss its application with the aid of systems of identical fermions interacting via a long-range attractive and short-range repulsive two-body force in one dimension. We compute ground-state energies, intrinsic densities, and density correlation functions of these systems and compare our results to those obtained from other methods. In particular, we show how energies of excited states as well as the absolute square of the ground-state wave function can be extracted from the correlation functions within our approach. The relation between many-body perturbation theory and our DFT-RG approach is discussed and illustrated with the aid of the calculation of the second-order energy correction for a system of N identical fermions interacting via a general two-body interaction. Moreover, we discuss the control of spuriously emerging fermion self-interactions in DFT studies within our framework. In general, our approach may help to guide the development of energy functionals for future quantitative DFT studies of heavy nuclei from microscopic interactions.

  3. 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.

  4. 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

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

    PubMed

    Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian; Oppel, Markus; Marquetand, Philipp; González, Leticia

    2016-03-08

    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.

  6. Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries.

    PubMed

    Brorsen, Kurt R; Yang, Yang; Hammes-Schiffer, Sharon

    2017-08-03

    Nuclear quantum effects such as zero point energy play a critical role in computational chemistry and often are included as energetic corrections following geometry optimizations. The nuclear-electronic orbital (NEO) multicomponent density functional theory (DFT) method treats select nuclei, typically protons, quantum mechanically on the same level as the electrons. Electron-proton correlation is highly significant, and inadequate treatments lead to highly overlocalized nuclear densities. A recently developed electron-proton correlation functional, epc17, has been shown to provide accurate nuclear densities for molecular systems. Herein, the NEO-DFT/epc17 method is used to compute the proton affinities for a set of molecules and to examine the role of nuclear quantum effects on the equilibrium geometry of FHF(-). The agreement of the computed results with experimental and benchmark values demonstrates the promise of this approach for including nuclear quantum effects in calculations of proton affinities, pKa's, optimized geometries, and reaction paths.

  7. Identification and functional characterization of a novel bipartite nuclear localization sequence in ARID1A

    SciTech Connect

    Bateman, Nicholas W.; Shoji, Yutaka; Conrads, Kelly A.; Stroop, Kevin D.; Hamilton, Chad A.; Darcy, Kathleen M.; Maxwell, George L.; Risinger, John I.; and others

    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. - Highlights: • We have identified a bipartite nuclear localization sequence (NLS) in ARID1A. • Confirmation of the NLS was performed using GFP constructs. • NLS mutant ARID1A exhibits greater stability than wild-type ARID1A.

  8. [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.

  9. 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.

  10. 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.

  11. On Dissipation Function of Ocean Waves due to Whitecapping

    SciTech Connect

    Zakharov, V. E.; Korotkevich, A. O.; Prokofiev, A. O.

    2009-09-09

    The Hasselmann kinetic equation provides a statistical description of waves ensemble. Several catastrophic events are beyond statistical model. In the case of gravity waves on the surface of the deep fluid may be the most frequent and important events of such kind are whitecapping and wave breaking. It was shown earlier that such effects leads to additional dissipation in the energy contaning region around waves spectral peak, which can be simulated by means of empiric dissipative term in kinetic equation. In order to find dependence of this term with respect to nonlinearity in the system (steepness of the surface) we preformed two numerical experiments: weakly nonlinear one in the framework of 3D hydrodynamics and fully nonlinear one for 2D hydrodynamic. In spite of significantly different models and initial conditions, both these experiments yielded close results. Obtained data can be used to define analytical formula for dependence of the dissipative term of dissipation coefficient with respect to mean steepness of the surface.

  12. 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.

  13. 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.

  14. Correlated wave functions for the ground and some excited states of the iron atom.

    PubMed

    Buendía, E; Gálvez, F J; Sarsa, A

    2006-04-21

    We study the states arising from the [Ar]4s(2)3d6 and [Ar]4s(1)3d7 configurations of iron atom with explicitly correlated wave functions. The variational wave function is the product of the Jastrow correlation factor times a model function obtained within the parametrized optimized effective potential framework. A systematic analysis of the dependence of both the effective potential and the correlation factor on the configuration and on the term is carried out. The ground state of both, the cation, Fe+, and anion, Fe-, are calculated with correlated wave functions and the ionization potential and the electron affinity are obtained.

  15. Nuclear lamins: major factors in the structural organization and function of the nucleus and chromatin

    PubMed Central

    Dechat, Thomas; Pfleghaar, Katrin; Sengupta, Kaushik; Shimi, Takeshi; Shumaker, Dale K.; Solimando, Liliana; Goldman, Robert D.

    2008-01-01

    Over the past few years it has become evident that the intermediate filament proteins, the types A and B nuclear lamins, not only provide a structural framework for the nucleus, but are also essential for many aspects of normal nuclear function. Insights into lamin-related functions have been derived from studies of the remarkably large number of disease-causing mutations in the human lamin A gene. This review provides an up-to-date overview of the functions of nuclear lamins, emphasizing their roles in epigenetics, chromatin organization, DNA replication, transcription, and DNA repair. In addition, we discuss recent evidence supporting the importance of lamins in viral infections. PMID:18381888

  16. 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

  17. Testing for parity violation in nuclei using spin density matrices for nuclear density functionals

    NASA Astrophysics Data System (ADS)

    Barrett, B. R.; Giraud, B. G.

    2015-06-01

    The spin density matrix (SDM) used in atomic and molecular physics is revisited for nuclear physics, in the context of the radial density functional theory. The vector part of the SDM defines a ‘hedgehog’ situation, which exists only if nuclear states contain some amount of parity violation. A toy model is given as an illustrative example.

  18. Signature of ray chaos in quasibound wave functions for a stadium-shaped dielectric cavity.

    PubMed

    Shinohara, Susumu; Harayama, Takahisa

    2007-03-01

    Light emission from a dielectric cavity with a stadium shape is studied in both ray and wave models. For a passive cavity mode with low loss, a remarkable correspondence is found between the phase space representation of a quasibound wave function and its counterpart distribution in the ray model. This result provides additional and more direct evidence for good ray-wave correspondence in low-loss modes previously observed at the level of far-field emission pattern comparisons.

  19. 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

  20. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. 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.

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

    NASA Astrophysics Data System (ADS)

    Ernzerhof, Matthias

    2014-03-01

    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

    2015-01-27

    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.

  5. Wave Distribution Functions of Plasmaspheric Hiss and their Effects on Radiation Belt Dynamics

    NASA Astrophysics Data System (ADS)

    Santolik, O.; Ripoll, J. F.; Kurth, W. S.; Hospodarsky, G. B.; Kletzing, C.

    2015-12-01

    Plasmaspheric hiss is formed by whistler-mode waves which play an important role in the dynamics the Earth's radiation belts, specifically in connection with the slot region between the inner and outer Van Allen belts. The origin of plasmaspheric hiss is still a subject of discussions and these waves are known for their complex propagation properties. They are often far from a single plane wave approximation, forming a continuous distribution of the wave energy density with respect to the wave vector direction (wave distribution function). Analysis of polarization and propagation parameters of these waves provides us with inputs for modeling of radiation belt dynamics. We use the data of the Waves instrument of Electric and Magnetic Field Instrument Suite and Integrated Science (EMFISIS) onboard the Van Allen Probes spacecraft, to analyze simultaneous measurements of all electric and magnetic field components, together with measurements of the plasma density based on the determination of the upper hybrid resonance frequency. Using this unique data set we estimate the wave distribution functions of plasmaspheric hiss and we model the effects of these waves on the decay rates of radiation belt electrons through quasilinear pitch angle diffusion.

  6. Comparison of quasi-Hartree-Fock wave-functions for lithium hydride

    NASA Astrophysics Data System (ADS)

    Asthalter, T.; Weyrich, W.; Harker, A. H.; Kunz, A. B.; Orlando, R.; Pisani, C.

    1992-09-01

    We compare the Hartree-Fock wave-functions for crystalline LiH obtained either with a standard Crystalline-Orbital—LCAO procedure or following the Adams-Gilbert-Kunz (AGK) prescription. Total energy, band-structure, reciprocal form factors [ B( r)] are taken as a reference, for checking the quality of the wave-function. The influence of the inclusion of high angular-quantum-number functions in the AGK basis set is explored.

  7. 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

  8. Ocean wave-radar modulation transfer functions from the West Coast experiment

    NASA Technical Reports Server (NTRS)

    Wright, J. W.; Plant, W. J.; Keller, W. C.; Jones, W. L.

    1980-01-01

    Short gravity-capillary waves, the equilibrium, or the steady state excitations of the ocean surface are modulated by longer ocean waves. These short waves are the predominant microwave scatterers on the ocean surface under many viewing conditions so that the modulation is readily measured with CW Doppler radar used as a two-scale wave probe. Modulation transfer functions (the ratio of the cross spectrum of the line-of-sight orbital speed and backscattered microwave power to the autospectrum of the line-of-sight orbital speed) were measured at 9.375 and 1.5 GHz (Bragg wavelengths of 2.3 and 13 cm) for winds up to 10 m/s and ocean wave periods from 2-18 s. The measurements were compared with the relaxation-time model; the principal result is that a source of modulation other than straining by the horizontal component of orbital speed, possibly the wave-induced airflow, is responsible for most of the modulation by waves of typical ocean wave period (10 s). The modulations are large; for unit coherence, spectra of radar images of deep-water waves should be proportional to the quotient of the slope spectra of the ocean waves by the ocean wave frequency.

  9. 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.

  10. Wave diffraction and resolution of mantle transition zone discontinuities in receiver function imaging

    NASA Astrophysics Data System (ADS)

    Deng, Kai; Zhou, Ying

    2015-06-01

    The structure of seismic discontinuities in the mantle transition zone at depths of about 400 and 670 km provides important constraints on mantle convection as the associated mineral phase transformations are sensitive to thermal perturbations. Teleseismic P-to-S receiver functions have been widely used to map the depths of the two discontinuities. In this study, we investigate the resolution of receiver functions in imaging topographic variations of the 400-km and 670-km discontinuities based on wave propagation simulations using a Spectral Element Method (SEM). We investigate wave diffraction effects on direct P waves as well as P-to-S converted waves by varying the length scale of topography of the two discontinuities. We observe strong wave diffractional effects in both P waves and teleseismic receiver functions at periods of ˜10 to 20 s. Ray theory overpredicts traveltime anomalies by a factor of 2-5 when the topography length scale is about 400 km. In addition, ray-theoretical predictions are out of phase with measurements which indicates that locations of small-scale topographic variations can not be resolved using ray theory. The observed traveltime anomalies further reduce to 10-20 per cent of ray-theoretical predictions when the topography length scale reduces to about 200 km. We calculate 2-D boundary sensitivity kernels for direct P waves as well as receiver functions. In general, calculations based Born sensitivity kernels fit the `ground-truth' SEM measurements very well. They account for wave diffraction effects as well as phase interactions such as P and pP waves arriving in P-wave coda. 3-D wavespeed structure in the upper mantle beneath seismic stations may introduce significant traveltime anomalies on P waves and transition zone receiver functions. We show that traveltime corrections at periods of about 10 to 20 s are frequency dependent when the size of the anomalies becomes less than 500 km.

  11. 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.

  12. 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.

  13. Lossless compression of wave function information using matrix factorization: A ``gzip'' for quantum chemistry

    NASA Astrophysics Data System (ADS)

    Taylor, Peter R.

    2013-08-01

    We propose the use of the singular value decomposition to decrease the storage required for wave function information. The specific case considered is determinantal full configuration interaction, but the same technique is readily applicable to truncated configuration interaction and coupled-cluster calculations of various types; as we discuss this is a reformulation of approximate methods that have been in use for some time, but our approach eliminates those approximations. Numerical examples support the contention that considerable compression of the wave function is possible without significant loss of accuracy: as expected a considerable amount of the information contained in the full CI wave function is redundant.

  14. Anomalous wave function statistics on a one-dimensional lattice with power-law disorder.

    PubMed

    Titov, M; Schomerus, H

    2003-10-24

    Within a general framework, we discuss the wave function statistics in the Lloyd model of Anderson localization on a one-dimensional lattice with a Cauchy distribution for random on-site potential. We demonstrate that already in leading order in the disorder strength, there exists a hierarchy of anomalies in the probability distributions of the wave function, the conductance, and the local density of states, for every energy which corresponds to a rational ratio of wavelength to lattice constant. Power-law rather than log-normal tails dominate the short-distance wave-function statistics.

  15. Systematic Analysis of the Functional Relevance of Nuclear Structure and Mechanics in Breast Cancer Progression

    DTIC Science & Technology

    2013-07-01

    ANSI Std. Z39.18 Systematic Analysis of the Functional Relevance of Nuclear Structure and Mechanics in Breast Cancer Progression Jan Lammerding... analysis of the functional consequences of changes in the expression of lamins (A, B1, B2, and C) and lamin B receptor on nuclear morphology and...enhanced passage), proliferation, and epithelial-to- mesenchymal transition (EMT). In addition, we proposed to conduct an analysis of samples

  16. The NESH/Abi-3-based WAVE2 complex is functionally distinct from the Abi-1-based WAVE2 complex.

    PubMed

    Sekino, Saki; Kashiwagi, Yuriko; Kanazawa, Hitoshi; Takada, Kazuki; Baba, Takashi; Sato, Seiichi; Inoue, Hiroki; Kojima, Masaki; Tani, Katsuko

    2015-10-01

    Abl interactor (Abi) family proteins play significant roles in actin cytoskeleton organization through participation in the WAVE complex. Mammals possess three Abi proteins: Abi-1, Abi-2, and NESH/Abi-3. Abi-1 and Abi-2 were originally identified as Abl tyrosine kinase-binding proteins. It has been disclosed that Abi-1 acts as a bridge between c-Abl and WAVE2, and c-Abl-mediated WAVE2 phosphorylation promotes actin remodeling. We showed previously that NESH/Abi-3 is present in the WAVE2 complex, but neither binds to c-Abl nor promotes c-Abl-mediated phosphorylation of WAVE2. In this study, we characterized NESH/Abi-3 in more detail, and compared its properties with those of Abi-1 and Abi-2. NESH/Abi-3 was ectopically expressed in NIH3T3 cells, in which Abi-1, but not NESH/Abi-3, is expressed. The expression of NESH/Abi-3 caused degradation of endogenous Abi-1, which led to the formation of a NESH/Abi-3-based WAVE2 complex. When these cells were plated on fibronectin-coated dishes, the translocation of WAVE2 to the plasma membrane was significantly reduced and the formation of peripheral lamellipodial structures was disturbed, suggesting that the NESH/Abi-3-based WAVE2 complex was unable to help produce lamellipodial protrusions. Next, Abi-1, Abi-2, or NESH/Abi-3 was expressed in v-src-transformed NIH3T3 cells. Only in NESH/Abi-3-expressed cells did treatment with an Abl kinase inhibitor, imatinib mesylate, or siRNA-mediated knockdown of c-Abl promote the formation of invadopodia, which are ventral membrane protrusions with extracellular matrix degradation activity. Structural studies showed that a linker region between the proline-rich regions and the Src homology 3 (SH3) domain of Abi-1 is crucial for its interaction with c-Abl and c-Abl-mediated phosphorylation of WAVE2. The NESH/Abi-3-based WAVE2 complex is functionally distinct from the Abi-1-based one, and NESH/Abi-3 may be involved in the formation of ventral protrusions under certain conditions.

  17. Degenerate RS perturbation theory. [Rayleigh-Schroedinger energies and wave functions

    NASA Technical Reports Server (NTRS)

    Hirschfelder, J. O.; Certain, P. R.

    1974-01-01

    A concise, systematic procedure is given for determining the Rayleigh-Schroedinger energies and wave functions of degenerate states to arbitrarily high orders even when the degeneracies of the various states are resolved in arbitrary orders. The procedure is expressed in terms of an iterative cycle in which the energy through the (2n + 1)-th order is expressed in terms of the partially determined wave function through the n-th order. Both a direct and an operator derivation are given. The two approaches are equivalent and can be transcribed into each other. The direct approach deals with the wave functions (without the use of formal operators) and has the advantage that it resembles the usual treatment of nondegenerate perturbations and maintains close contact with the basic physics. In the operator approach, the wave functions are expressed in terms of infinite-order operators which are determined by the successive resolution of the space of the zeroth-order functions.

  18. 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.

  19. Fractional Cylindrical Functions Implementation for Electromagnetic Waves Scattering Analysis

    DTIC Science & Technology

    2002-09-01

    IMPLEMENTATION FOR ELECTROMAGNETIC WAVES SCATTERING ANALYSIS D.V. Golovin , D.O. Batrakov. Kharkov National University, Ukraine Dmitry.O.Batrakov...N2 8. P. 1483. [2] Vorontsov A.A., Mirovitskaya S.D/I Radiotechnika i Electronika (in Russian) 1986. V.31. No 12. P. 2330. [3] Golovin D.V., Batrakov

  20. Accelerating self consistent field convergence by rubber sheeting of initial electronic wave functions.

    NASA Astrophysics Data System (ADS)

    Matthews, G. Eric; Holzwarth, N. A. W.; Martin, George; Keeling, Briana; Agopsowicz, Douglas

    2007-03-01

    We develop an algorithm for generating better initial electronic wave function estimates for density functional theory calculations following atomic movement. First principles molecular dynamics and atomic relaxation calculations involve successive movements of atoms followed by self consistent field (SCF) solutions for electronic wave functions. The SCF solutions converge most rapidly when starting from reasonably good estimates. Often estimates are generated directly from the wave functions of the previous atomic positions without adjustments for effects of position changes. Such estimates result in fast convergence to the correct wave function for small atomic movements, but for larger movements, convergence may be much slower. We present a method for improving the estimates of the new wave functions by using information from the movement of the atoms. Our algorithm is based on the ``rubber-sheeting'' method used in overlaying satellite imagery on geographic maps. A warping function is calculated that stretches and shrinks different regions of the wave function so that regions near nuclei are dragged along with the atoms. These estimates yield faster convergence for cases studied thus far.

  1. Solution of self-consistent equations for the N 3LO nuclear energy density functional in spherical symmetry. The program HOSPHE (v1.02)

    NASA Astrophysics Data System (ADS)

    Carlsson, B. G.; Dobaczewski, J.; Toivanen, J.; Veselý, P.

    2010-09-01

    We present solution of self-consistent equations for the N 3LO nuclear energy density functional. We derive general expressions for the mean fields expressed as differential operators depending on densities and for the densities expressed in terms of derivatives of wave functions. These expressions are then specified to the case of spherical symmetry. We also present the computer program HOSPHE (v1.02), which solves the self-consistent equations by using the expansion of single-particle wave functions on the spherical harmonic oscillator basis. Program summaryProgram title: HOSPHE (v1.02) Catalogue identifier: AEGK_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGK_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.: 45 809 No. of bytes in distributed program, including test data, etc.: 290 514 Distribution format: tar.gz Programming language: Fortran-90 Computer: PCs and workstations Operating system: Linux RAM: 50 MB Classification: 17.22 External routines: LAPACK ( http://www.netlib.org/lapack/), BLAS ( http://www.netlib.org/blas/) Nature of problem: The nuclear mean-field methods constitute principal tools of a description of nuclear states in heavy nuclei. Within the Local Density Approximation with gradient corrections up to N 3LO [1], the nuclear mean-field is local and contains derivative operators up to sixth order. The locality allows for an effective and fast solution of the self-consistent equations. Solution method: The program uses the spherical harmonic oscillator basis to expand single-particle wave functions of neutrons and protons for the nuclear state being described by the N 3LO nuclear energy density functional [1]. The expansion coefficients are determined by the iterative diagonalization of the mean-field Hamiltonian, which depends non

  2. Fourier transforms of single-particle wave functions in cylindrical coordinates

    NASA Astrophysics Data System (ADS)

    Rizea, M.; Carjan, N.

    2016-12-01

    A formalism and the corresponding numerical procedures that calculate the Fourier transform of a single-particle wave function defined on a grid of cylindrical (ρ, z) coordinates is presented. Single-particle states in spherical and deformed nuclei have been chosen in view of future applications in the field of nuclear reactions. Bidimensional plots of the probability that the nucleon's momentum has a given value K=√{k_{ρ}2+kz2} are produced and from them the K -distributions are deduced. Three potentials have been investigated: a) a sharp surface spherical well ( i.e., of constant depth), b) a spherical Woods-Saxon potential i.e., diffuse surface) and c) a deformed potential of Woods-Saxon type. In the first case the momenta are as well defined as allowed by the uncertainty principle. Depending on the state, their distributions have up to three separated peaks as a consequence of the up to three circular ridges of the bidimensional probabilities plots. In the second case the diffuseness allows very low momenta to be always populated thus creating tails towards the origin ( K = 0). The peaks are still present but not well separated. In the third case the deformation transforms the above mentioned circular ridges into ellipses thus spreading the K-values along them. As a consequence the K-distributions have only one broad peak.

  3. Estimation on the yield ratio between the DPRK's 2013 and 2016 underground nuclear explosions using P wave amplitude and corner frequency ratios

    NASA Astrophysics Data System (ADS)

    Kim, T. S.; Che, I. Y.; Kim, I.

    2016-12-01

    On January 6, 2016 Democratic People's Republic of Korea conducted the fourth underground nuclear test at their test site near to P'unggyeri where they had performed the other three underground nuclear tests in 2006, 2009 and 2013. A relative yield ratio between the DPRK's 2013 and 2016 event is calculated using amplitude and corner frequency ratios. For this study, 10.24 seconds of 100 Hz sampled first P wave recorded at thirty five broadband stations including thirty three stations in the Republic of Korea, one station of China and one station of Japan are used for the analysis. With an assumption of fully coupled explosions for the closely located DPRK's third and fourth UNE in a granitic medium, the geological effect of the medium around the explosive source and the attenuation effect along the propagation path are eliminated by calculating spectral ratio between the two events. The yield ratio of the two explosions is expressed as a function of amplitude ratio at low frequency and depth ratio. Another function expressed with corner frequency and depth ratios also constrains the yield ratio. These two relationships give a solution of depth and yield ratios between the two events with 95 % confidence intervals.

  4. {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.

  5. 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. Copyright © 2014 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.

  6. 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.

  7. 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.

  8. SIRT6 deacetylates PKM2 to suppress its nuclear localization and oncogenic functions

    PubMed Central

    Bhardwaj, Abhishek; Das, Sanjeev

    2016-01-01

    SIRT6 (sirtuin 6) is a member of sirtuin family of deacetylases involved in diverse processes including genome stability, metabolic homeostasis, and tumorigenesis. However, the role of SIRT6 deacetylase activity in its tumor-suppressor functions is not well understood. Here we report that SIRT6 binds to and deacetylates nuclear PKM2 (pyruvate kinase M2) at the lysine 433 residue. PKM2 is a glycolytic enzyme with nonmetabolic nuclear oncogenic functions. SIRT6-mediated deacetylation results in PKM2 nuclear export. We further have identified exportin 4 as the specific transporter mediating PKM2 nuclear export. As a result of SIRT6-mediated deacetylation, PKM2 nuclear protein kinase and transcriptional coactivator functions are abolished. Thus, SIRT6 suppresses PKM2 oncogenic functions, resulting in reduced cell proliferation, migration potential, and invasiveness. Furthermore, studies in mouse tumor models demonstrate that PKM2 deacetylation is integral to SIRT6-mediated tumor suppression and inhibition of metastasis. Additionally, reduced SIRT6 levels correlate with elevated nuclear acetylated PKM2 levels in increasing grades of hepatocellular carcinoma. These findings provide key insights into the pivotal role of deacetylase activity in SIRT6 tumor-suppressor functions. PMID:26787900

  9. 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.

  10. 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)

  11. 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)

  12. 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.

  13. Four-body correlation embedded in antisymmetrized geminal power wave function.

    PubMed

    Kawasaki, Airi; Sugino, Osamu

    2016-12-28

    We extend the Coleman's antisymmetrized geminal power (AGP) to develop a wave function theory that can incorporate up to four-body correlation in a region of strong correlation. To facilitate the variational determination of the wave function, the total energy is rewritten in terms of the traces of geminals. This novel trace formula is applied to a simple model system consisting of one dimensional Hubbard ring with a site of strong correlation. Our scheme significantly improves the result obtained by the AGP-configuration interaction scheme of Uemura et al. and also achieves more efficient compression of the degrees of freedom of the wave function. We regard the result as a step toward a first-principles wave function theory for a strongly correlated point defect or adsorbate embedded in an AGP-based mean-field medium.

  14. 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.

  15. Improved Roothaan-Hartree-Fock wave functions for atoms and ions with N <= 54

    NASA Astrophysics Data System (ADS)

    Koga, Toshikatsu; Watanabe, Shinya; Kanayama, Katsutoshi; Yasuda, Ryuji; Thakkar, Ajit J.

    1995-08-01

    Improved Roothaan-Hartree-Fock wave functions are reported for the ground states of all the neutral atoms from He to Xe, singly charged cations from Li+ to Cs+, and stable singly charged anions from H- to I-. Our neutral atom wave functions are an improvement over those of Clementi and Roetti [At. Data Nucl. Data Tables 14, 177 (1974)], Bunge et al. [Phys. Rev. A 46, 3691 (1992)] and Koga et al. [Phys. Rev. A 47, 4510 (1993)]. The ion wave functions are an improvement over those of Clementi and Roetti, and Koga et al. [J. Phys. B 26, 2529 (1993)]. In all cases, the current wave functions predict energies within 1.3×10-5 hartrees of the numerical Hartree-Fock limit.

  16. Revival of the Phase-Amplitude Description of a Quantum-Mechanical Wave Function

    NASA Astrophysics Data System (ADS)

    Rawitscher, George

    2017-01-01

    The phase-amplitude description of a wave function is formulated by means of a new linear differential-integral equation, which is valid in the region of turning points. A numerical example for a Coulomb potential is presented.

  17. 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.

  18. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-05-01

    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. 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 (HF), second-order Møller-Plesset perturbation theory (MP2) 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 diff 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.

  2. Nonperturbative Strange Sea in Proton Using Wave Functions Inspired by Light Front Holography

    NASA Astrophysics Data System (ADS)

    Vega, Alfredo; Schmidt, Ivan; Gutsche, Thomas; Lyubovitskij, Valery E.

    2017-03-01

    We use different light-front wave functions (two inspired by the AdS/QCD formalism), together with a model of the nucleon in terms of meson-baryon fluctuations to calculate the nonperturbative (intrinsic) contribution to the s(x) - bar{s}(x) asymmetry of the proton sea. The holographic wave functions for an arbitrary number of constituents, recently derived by us, give results quite close to known parametrizations that appear in the literature.

  3. Natural orbitals from single and double excitation configuration interaction wave functions: their use in second-order configuration interaction and wave functions incorporating limited triple and quadruple excitations

    NASA Astrophysics Data System (ADS)

    Grev, Roger S.; Schaefer, Henry F., III

    1992-05-01

    As an alternative to orbitals obtained from a molecular complete-active-space self-consistent-field (CASSCF) wave function, we have investigated the use of natural orbitals (NOs) obtained from configuration interaction (CI) wave functions including all single and double excitations (CISD) for use in multireference CI (MRCI) studies. The specific MRCI methods investigated are (1) second-order CI (SOCI), which includes all single and double excitations with respect to a full CI in the valence space and (2) a wave function that includes all single and double excitations out of a valence space CISD reference function. The latter wave function can also be described as a single-double-triple-quadruple excitation CI in which only two electrons are allowed to simultaneously reside outside of the valence space, ``which we call CISD[TQ].'' Comparison is made with CASSCF-SOCI and full CI results for NH2 (2B1), CH3 (2A`2), and SiH2 (1B1) at equilibrium bond distances (Re) 1.5 and 2.0Re, and with full CI results for the dissociation energy of N2. The dissociation energies of N2 and C2 are also obtained using large atomic natural orbital basis sets and the results compared to CASSCF-SOCI and internally contracted MRCI results. In all, the MRCI results with CISD NOs are very similar to the CASSCF-MRCI results, and at geometries where the reference wave function is dominant, the relatively compact CISD[TQ] method yields results that are very close to SOCI. In addition to their ease of generation, the CISD NOs offer the added advantage of allowing for truncation of the CI configuration list on an orbital basis by simply deleting high-lying virtual orbitals. The errors introduced by this truncation are almost quantitatively obtained at the CISD level of theory.

  4. 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

  5. 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.

  6. Nuclear magnetic and nuclear quadrupole resonance parameters of β-carboline derivatives calculated using density functional theory

    NASA Astrophysics Data System (ADS)

    Ahmadinejad, Neda; Tari, Mostafa Talebi

    2017-04-01

    A density functional theory (DFT) calculations using B3LYP/6-311++G( d,p) method were carried out to investigate the relative stability of the molecules of β-carboline derivatives such as harmaline, harmine, harmalol, harmane and norharmane. Calculated nuclear quadrupole resonance (NQR) parameters were used to determine the 14N nuclear quadrupole coupling constant χ, asymmetry parameter η and EFG tensor ( q zz ). For better understanding of the electronic structure of β-carboline derivatives, natural bond orbital (NBO) analysis, isotropic and anisotropic NMR chemical shieldings were calculated for 14N nuclei using GIAO method for the optimized structures. The NBO analysis shows that pyrrole ring nitrogen (N9) atom has greater tendency than pyridine ring nitrogen (N2) atom to participate in resonance interactions and aromaticity development in the all of these structures. The NMR and NQR parameters were studied in order to find the correlations between electronic structure and the structural stability of the studied molecules.

  7. 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.

  8. Auxiliary-field-based trial wave functions in quantum Monte Carlo calculations

    NASA Astrophysics Data System (ADS)

    Chang, Chia-Chen; Rubenstein, Brenda M.; Morales, Miguel A.

    2016-12-01

    Quantum Monte Carlo (QMC) algorithms have long relied on Jastrow factors to incorporate dynamic correlation into trial wave functions. While Jastrow-type wave functions have been widely employed in real-space algorithms, they have seen limited use in second-quantized QMC methods, particularly in projection methods that involve a stochastic evolution of the wave function in imaginary time. Here we propose a scheme for generating Jastrow-type correlated trial wave functions for auxiliary-field QMC methods. The method is based on decoupling the two-body Jastrow into one-body projectors coupled to auxiliary fields, which then operate on a single determinant to produce a multideterminant trial wave function. We demonstrate that intelligent sampling of the most significant determinants in this expansion can produce compact trial wave functions that reduce errors in the calculated energies. Our technique may be readily generalized to accommodate a wide range of two-body Jastrow factors and applied to a variety of model and chemical systems.

  9. Auxiliary-field-based trial wave functions in quantum Monte Carlo calculations

    SciTech Connect

    Chang, Chia -Chen; Rubenstein, Brenda M.; Morales, Miguel A.

    2016-12-19

    Quantum Monte Carlo (QMC) algorithms have long relied on Jastrow factors to incorporate dynamic correlation into trial wave functions. While Jastrow-type wave functions have been widely employed in real-space algorithms, they have seen limited use in second-quantized QMC methods, particularly in projection methods that involve a stochastic evolution of the wave function in imaginary time. Here we propose a scheme for generating Jastrow-type correlated trial wave functions for auxiliary-field QMC methods. The method is based on decoupling the two-body Jastrow into one-body projectors coupled to auxiliary fields, which then operate on a single determinant to produce a multideterminant trial wave function. We demonstrate that intelligent sampling of the most significant determinants in this expansion can produce compact trial wave functions that reduce errors in the calculated energies. Lastly, our technique may be readily generalized to accommodate a wide range of two-body Jastrow factors and applied to a variety of model and chemical systems.

  10. 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.

  11. Nuclear hormone receptor co-repressors: Structure and function

    PubMed Central

    Watson, Peter J.; Fairall, Louise; Schwabe, John W.R.

    2012-01-01

    Co-repressor proteins, such as SMRT and NCoR, mediate the repressive activity of unliganded nuclear receptors and other transcription factors. They appear to act as intrinsically disordered “hub proteins” that integrate the activities of a range of transcription factors with a number of histone modifying enzymes. Although these co-repressor proteins are challenging targets for structural studies due to their largely unstructured character, a number of structures have recently been determined of co-repressor interaction regions in complex with their interacting partners. These have yielded considerable insight into the mechanism of assembly of these complexes, the structural basis for the specificity of the interactions and also open opportunities for targeting these interactions therapeutically. PMID:21925568

  12. Coordinated wave function for the ground state of liquid 4He

    NASA Astrophysics Data System (ADS)

    Lutsyshyn, Y.

    2015-12-01

    We present a variational ansatz for the ground state of a strongly correlated Bose system. This ansatz goes beyond the Jastrow-Feenberg functional form and explicitly enforces coordination shells in the structure of the wave function. We apply this ansatz to liquid helium-4 with a simple three-variable parametrization of the pair functions. The optimized wave function is found to give an excellent description of the mid-range correlations in the fluid. We also demonstrate the possibility to use this ansatz to study inhomogeneous systems. The phase separation and free surface emerge naturally in this wave function, even though it is constructed of short-range two-body functions and does not contain one-body terms. Because no explicit description of the surface is necessary, this provides a powerful description tool for cluster states.

  13. Essential role of nuclear localization for yeast Ulp2 SUMO protease function.

    PubMed

    Kroetz, Mary B; Su, Dan; Hochstrasser, Mark

    2009-04-01

    The SUMO protein is covalently attached to many different substrates throughout the cell. This modification is rapidly reversed by SUMO proteases. The Saccharomyces cerevisiae SUMO protease Ulp2 is a nuclear protein required for chromosome stability and cell cycle restart after checkpoint arrest. Ulp2 is related to the human SENP6 protease, also a nuclear protein. All members of the Ulp2/SENP6 family of SUMO proteases have large but poorly conserved N-terminal domains (NTDs) adjacent to the catalytic domain. Ulp2 also has a long C-terminal domain (CTD). We show that CTD deletion has modest effects on yeast growth, but poly-SUMO conjugates accumulate. In contrast, the NTD is essential for Ulp2 function and is required for nuclear targeting. Two short, widely separated sequences within the NTD confer nuclear localization. Efficient Ulp2 import into the nucleus requires the beta-importin Kap95, which functions on classical nuclear-localization signal (NLS)-bearing substrates. Remarkably, replacement of the entire >400-residue NTD by a heterologous NLS results in near-normal Ulp2 function. These data demonstrate that nuclear localization of Ulp2 is crucial in vivo, yet only small segments of the NTD provide the key functional elements, explaining the minimal sequence conservation of the NTDs in the Ulp2/SENP6 family of enzymes.

  14. Differentiating plant cells switched to proliferation remodel the functional organization of nuclear domains.

    PubMed

    Testillano, P S; González-Melendi, P; Coronado, M J; Seguí-Simarro, J M; Moreno-Risueño, M A; Risueño, M C

    2005-01-01

    The immature pollen grain, the microspore, under stress conditions can switch its developmental program towards proliferation and embryogenesis. The comparison between the gametophytic and sporophytic pathways followed by the microspore permitted us to analyse the nuclear changes in plant differentiating cells when switched to proliferation. The nucleus is highly dynamic, the architecture of its well organised functional domains--condensed chromatin, interchromatin region, nuclear bodies and nucleolus--changing in response to DNA replication, RNA transcription, processing and transport. In the present work, the rearrangements of the nuclear domains during the switch to proliferation have been determined by in situ molecular identification methods for the subcellular localization of chromatin at different functional states, rDNA, elements of the nuclear machinery (PCNA, splicing factors), signalling and stress proteins. The study of the changes in the nuclear domains was determined by a correlative approach at confocal and electron microscopy levels. The results showed that the switch of the developmental program and the activation of the proliferative activity affected the functional organization of the nuclear domains, which accordingly changed their architecture and functional state. A redistribution of components, among them various signalling molecules which targeted structures within the interchromatin region upon translocation from the cytoplasm, was also observed.

  15. Decomposition of the unsteady wave patterns for Bessho form translating-pulsating source green function

    NASA Astrophysics Data System (ADS)

    Xiao, Wenbin; Dong, Wencai

    2014-10-01

    In order to interpret the physical feature of Bessho form translating-pulsating source Green function, the phase function is extracted from the integral representation and stationary-phase analysis is carried out in this paper. The complex characteristics of the integral variable and segmentation of the integral intervals are discussed in m complex plane. In θ space, the interval [-π/2+ φ, -π/2+ φ-i ɛ] is dominant in the near-field flow, and there is a one-to-one correspondence between the real intervals in m space and the unsteady wave patterns in far field. If 4 τ>1 ( τ is the Brard number), there are three kinds of propagation wave patterns such as ring-fan wave pattern, fan wave pattern and inner V wave pattern, and if 0<4 τ<1, a ring wave pattern, an outer V and inner V wave pattern are presented in far field. The ring-fan or ring wave pattern corresponds to the interval [-π+ α, -π/2+ φ] for integral terms about k 2, and the fan or outer V wave pattern and inner V wave pattern correspond to [-π+ α, -π/2) and (-π/2, -π/2+ φ] respectively for terms about k 1. Numerical result shows that it is beneficial to decompose the unsteady wave patterns under the condition of τ≠0 by converting the integral variable θ to m. In addition, the constant-phase curve equations are derived when the source is performing only pulsating or translating.

  16. Nuclear but Not Cytosolic Phosphoinositide 3-Kinase Beta Has an Essential Function in Cell Survival ▿

    PubMed Central

    Kumar, Amit; Redondo-Muñoz, Javier; Perez-García, Vicente; Cortes, Isabel; Chagoyen, Monica; Carrera, Ana C.

    2011-01-01

    Class IA phosphoinositide 3-kinases (PI3Ks) are heterodimeric enzymes composed of a p85 regulatory and a p110 catalytic subunit that induce the formation of 3-polyphosphoinositides, which mediate cell survival, division, and migration. There are two ubiquitous PI3K isoforms p110α and p110β that have nonredundant functions in embryonic development and cell division. However, whereas p110α concentrates in the cytoplasm, p110β localizes to the nucleus and modulates nuclear processes such as DNA replication and repair. At present, the structural features that determine p110β nuclear localization remain unknown. We describe here that association with the p85β regulatory subunit controls p110β nuclear localization. We identified a nuclear localization signal (NLS) in p110β C2 domain that mediates its nuclear entry, as well as a nuclear export sequence (NES) in p85β. Deletion of p110β induced apoptosis, and complementation with the cytoplasmic C2-NLS p110β mutant was unable to restore cell survival. These studies show that p110β NLS and p85β NES regulate p85β/p110β nuclear localization, supporting the idea that nuclear, but not cytoplasmic, p110β controls cell survival. PMID:21383062

  17. Investigating Gravity Wave-Ionosphere Interactions Using The Transfer Function Model And An Ionosphere Model

    NASA Astrophysics Data System (ADS)

    Bruntz, R. J.; Paxton, L. J.; Miller, E. S.; Bust, G. S.; Mayr, H. G.

    2015-12-01

    The Transfer Function Model (TFM) has been used in numerous studies to simulate gravity waves. In the TFM, the time dependence is formulated in terms of frequencies, and the horizontal wave pattern on the globe is formulated in terms of vector spherical harmonics. For a wide range of frequencies, the equations of mass, energy and momentum conservation are solved to compile a transfer function. The transfer function can then be easily combined with a time-dependent source whose spatial extent is also expressed in spherical harmonics, to produce a global atmospheric response, including gravity waves. This approach has significant benefits in that the solution is grid-independent (without any inherent limits on resolution), and the solutions do not suffer from singularities at the poles. We will show results from our simulations that couple the output of the TFM to an ionospheric model, to predict traveling ionospheric disturbances (TIDs) driven by the simulated gravity waves.

  18. Electromagnetic Field Representations in Uniaxial Bianisotropic-Semiconductor Material by Cylindrical Vector Wave Functions

    NASA Astrophysics Data System (ADS)

    Cheng, Dajun

    1997-01-01

    Uniaxial bianisotropic-semiconductor material is a generalization of the well-studied semiconductor material and uniaxial medium. It could be realized by arranging chiral objects in a host semiconductor medium, with a preferred direction. This class of material probably opens up the opportunity to realize artificial intelligence in living organisms. In the present study, based on the concept of characteristic waves and the method of angular spectral expansion, electromagnetic field representations in this class of materials are developed. The analysis indicates that solutions of source-free Maxwell equations for uniaxial bianisotropic-semiconductor material can be represented in sum-integral forms of cylindrical vector wave functions. Addition theorem of vector wave functions for uniaxial bianisotropic-semiconductor material can be straightforwardly derived from that of vector wave functions for isotropic medium. An application of the proposed theory in scattering is presented to show how to use these formulations in a practical way.

  19. PSF and p54(nrb)/NonO--multi-functional nuclear proteins.

    PubMed

    Shav-Tal, Yaron; Zipori, Dov

    2002-11-06

    Proteins are often referred to in accordance with the activity with which they were first associated or the organelle in which they were initially identified. However, a variety of nuclear factors act in multiple molecular reactions occurring simultaneously within the nucleus. This review describes the functions of the nuclear factors PSF (polypyrimidine tract-binding protein-associated splicing factor) and p54(nrb)/NonO. PSF was initially termed a splicing factor due to its association with the second step of pre-mRNA splicing while p54(nrb)/NonO was thought to participate in transcriptional regulation. Recent evidence shows that the simplistic categorization of PSF and its homolog p54(nrb)/NonO to any single nuclear activity is not possible and in fact these proteins exhibit multi-functional characteristics in a variety of nuclear processes.

  20. 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.

  1. 75 FR 13427 - Delegation of Certain Functions Under Section 204(c) of the United States-India Nuclear...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-22

    ... Functions Under Section 204(c) of the United States-India Nuclear Cooperation Approval and Nonproliferation...) of the United States-India Nuclear Cooperation Approval and Nonproliferation Enhancement Act...

  2. KPNB1 mediates PER/CRY nuclear translocation and circadian clock function.

    PubMed

    Lee, Yool; Jang, A Reum; Francey, Lauren J; Sehgal, Amita; Hogenesch, John B

    2015-08-29

    Regulated nuclear translocation of the PER/CRY repressor complex is critical for negative feedback regulation of the circadian clock of mammals. However, the precise molecular mechanism is not fully understood. Here, we report that KPNB1, an importin β component of the ncRNA repressor of nuclear factor of activated T cells (NRON) ribonucleoprotein complex, mediates nuclear translocation and repressor function of the PER/CRY complex. RNAi depletion of KPNB1 traps the PER/CRY complex in the cytoplasm by blocking nuclear entry of PER proteins in human cells. KPNB1 interacts mainly with PER proteins and directs PER/CRY nuclear transport in a circadian fashion. Interestingly, KPNB1 regulates the PER/CRY nuclear entry and repressor function, independently of importin α, its classical partner. Moreover, inducible inhibition of the conserved Drosophila importin β in lateral neurons abolishes behavioral rhythms in flies. Collectively, these data show that KPNB1 is required for timely nuclear import of PER/CRY in the negative feedback regulation of the circadian clock.

  3. KPNB1 mediates PER/CRY nuclear translocation and circadian clock function

    PubMed Central

    Lee, Yool; Jang, A Reum; Francey, Lauren J; Sehgal, Amita; Hogenesch, John B

    2015-01-01

    Regulated nuclear translocation of the PER/CRY repressor complex is critical for negative feedback regulation of the circadian clock of mammals. However, the precise molecular mechanism is not fully understood. Here, we report that KPNB1, an importin β component of the ncRNA repressor of nuclear factor of activated T cells (NRON) ribonucleoprotein complex, mediates nuclear translocation and repressor function of the PER/CRY complex. RNAi depletion of KPNB1 traps the PER/CRY complex in the cytoplasm by blocking nuclear entry of PER proteins in human cells. KPNB1 interacts mainly with PER proteins and directs PER/CRY nuclear transport in a circadian fashion. Interestingly, KPNB1 regulates the PER/CRY nuclear entry and repressor function, independently of importin α, its classical partner. Moreover, inducible inhibition of the conserved Drosophila importin β in lateral neurons abolishes behavioral rhythms in flies. Collectively, these data show that KPNB1 is required for timely nuclear import of PER/CRY in the negative feedback regulation of the circadian clock. DOI: http://dx.doi.org/10.7554/eLife.08647.001 PMID:26319354

  4. Duality and helicity: the photon wave function approach

    NASA Astrophysics Data System (ADS)

    Elbistan, M.; Horváthy, P. A.; Zhang, P.-M.

    2017-08-01

    The photon wave equation proposed in terms of the Riemann-Silberstein vector is derived from a first-order Dirac/Weyl-type action principle. It is symmetric w.r.t. duality transformations, but the associated Noether quantity vanishes. Replacing the fields by potentials and using instead a quadratic Klein-Gordon-type Lagrangian allows us to recover the double-Chern-Simons expression of conserved helicity and is shown to be equivalent to recently proposed alternative frameworks. Applied to the potential-modified theory the Dirac/Weyl-type approach yields again zero conserved charge, whereas the Klein-Gordon-type approach applied to the original setting yields Lipkin's ;zilch;.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. Bayesian extraction of the parton distribution amplitude from the Bethe-Salpeter wave function

    NASA Astrophysics Data System (ADS)

    Gao, Fei; Chang, Lei; Liu, Yu-xin

    2017-07-01

    We propose a new numerical method to compute the parton distribution amplitude (PDA) from the Euclidean Bethe-Salpeter wave function. The essential step is to extract the weight function in the Nakanishi representation of the Bethe-Salpeter wave function in Euclidean space, which is an ill-posed inversion problem, via the maximum entropy method (MEM). The Nakanishi weight function as well as the corresponding light-front parton distribution amplitude (PDA) can be well determined. We confirm prior work on PDA computations, which was based on different methods.

  11. 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

  12. The Green`s function method for nuclear engineering applications

    SciTech Connect

    Kornreich, D.E.; Ganapol, B.D.

    1997-07-01

    The Green`s function method (GFM) is employed to obtain scalar and angular flux distributions in heterogeneous slab geometry with isotropic scattering. All solutions utilize the infinite-medium Green`s function to obtain results in finite media. Past Green`s function analyses that do not resort to expansions of the angular flux in basis functions have been performed for nonmultiplying media only; in this paper, results are provided, for the first time, for both multiplying and nonmultiplying media using the GFM. Several source configurations are considered, including a beam source on the leftmost face, isotropic incidence on any face, and constant inhomogeneous volume sources in internal materials. Scalar and angular flux distributions compare favorably with those obtained using the F{sub N} method as well as the ONEDANT discrete ordinates code. In addition, the single and heterogeneous critical slab problems are investigated and solved using the GFM.

  13. Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests.

    PubMed

    Cheng, Jin; Yu, Kuang; Libisch, Florian; Dieterich, Johannes M; Carter, Emily A

    2017-03-14

    Quantum mechanical embedding theories partition a complex system into multiple spatial regions that can use different electronic structure methods within each, to optimize trade-offs between accuracy and cost. The present work incorporates accurate but expensive correlated wave function (CW) methods for a subsystem containing the phenomenon or feature of greatest interest, while self-consistently capturing quantum effects of the surroundings using fast but less accurate density functional theory (DFT) approximations. We recently proposed two embedding methods [for a review, see: Acc. Chem. Res. 2014 , 47 , 2768 ]: density functional embedding theory (DFET) and potential functional embedding theory (PFET). DFET provides a fast but non-self-consistent density-based embedding scheme, whereas PFET offers a more rigorous theoretical framework to perform fully self-consistent, variational CW/DFT calculations [as defined in part 1, CW/DFT means subsystem 1(2) is treated with CW(DFT) methods]. When originally presented, PFET was only tested at the DFT/DFT level of theory as a proof of principle within a planewave (PW) basis. Part 1 of this two-part series demonstrated that PFET can be made to work well with mixed Gaussian type orbital (GTO)/PW bases, as long as optimized GTO bases and consistent electron-ion potentials are employed throughout. Here in part 2 we conduct the first PFET calculations at the CW/DFT level and compare them to DFET and full CW benchmarks. We test the performance of PFET at the CW/DFT level for a variety of types of interactions (hydrogen bonding, metallic, and ionic). By introducing an intermediate CW/DFT embedding scheme denoted DFET/PFET, we show how PFET remedies different types of errors in DFET, serving as a more robust type of embedding theory.

  14. 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.

  15. 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.

  16. 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.

  17. Prostaglandins regulate nuclear localization of Fascin and its function in nucleolar architecture

    PubMed Central

    Groen, Christopher M.; Jayo, Asier; Parsons, Maddy; Tootle, Tina L.

    2015-01-01

    Fascin, a highly conserved actin-bundling protein, localizes and functions at new cellular sites in both Drosophila and multiple mammalian cell types. During Drosophila follicle development, in addition to being cytoplasmic, Fascin is in the nuclei of the germline-derived nurse cells during stages 10B–12 (S10B–12) and at the nuclear periphery during stage 13 (S13). This localization is specific to Fascin, as other actin-binding proteins, Villin and Profilin, do not exhibit the same subcellular distribution. In addition, localization of fascin1 to the nucleus and nuclear periphery is observed in multiple mammalian cell types. Thus the regulation and function of Fascin at these new cellular locations is likely to be highly conserved. In Drosophila, loss of prostaglandin signaling causes a global reduction in nuclear Fascin and a failure to relocalize to the nuclear periphery. Alterations in nuclear Fascin levels result in defects in nucleolar morphology in both Drosophila follicles and cultured mammalian cells, suggesting that nuclear Fascin plays an important role in nucleolar architecture. Given the numerous roles of Fascin in development and disease, including cancer, our novel finding that Fascin has functions within the nucleus sheds new light on the potential roles of Fascin in these contexts. PMID:25808493

  18. Studying Regional Wave Source Time Functions Using the Empirical Green's Function Method: Application to Central Asia

    NASA Astrophysics Data System (ADS)

    Xie, J.; Schaff, D. P.; Chen, Y.; Schult, F.

    2013-12-01

    Reliably estimated source time functions (STFs) from high-frequency regional waveforms, such as Lg, Pn and Pg, provide important input for seismic source studies, explosion detection and discrimination, and minimization of parameter trade-off in attenuation studies. We have searched for candidate pairs of larger and small earthquakes in and around China that share the same focal mechanism but significantly differ in magnitudes, so that the empirical Green's function (EGF) method can be applied to study the STFs of the larger events. We conducted about a million deconvolutions using waveforms from 925 earthquakes, and screened the deconvolved traces to exclude those that are from event pairs that involved different mechanisms. Only 2,700 traces passed this screening and could be further analyzed using the EGF method. We have developed a series of codes for speeding up the final EGF analysis by implementing automations and user-graphic interface procedures. The codes have been fully tested with a subset of screened data and we are currently applying them to all the screened data. We will present a large number of deconvolved STFs retrieved using various phases (Lg, Pn, Sn and Pg and coda) with information on any directivities, any possible dependence of pulse durations on the wave types, on scaling relations for the pulse durations and event sizes, and on the estimated source static stress drops.

  19. 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

  20. 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.

  1. Beyond receiver functions: Passive source reverse time migration and inverse scattering of converted waves

    NASA Astrophysics Data System (ADS)

    Shang, Xuefeng; de Hoop, Maarten V.; van der Hilst, Robert D.

    2012-08-01

    We present a wave equation prestack depth migration to image crust and mantle structures using multi-component earthquake data recorded at dense seismograph arrays. Transmitted P and S waves recorded on the surface are back propagated using an elastic wave equation solver. The wave modes are separated after the reverse-time continuation of the wavefield from the surface, and subjected to a (cross-correlation type) imaging condition forming an inverse scattering transform. Reverse time migration (RTM) does not make assumptions about the presence or properties of interfaces - notably, it does not assume that interfaces are (locally) horizontal. With synthetic experiments, and different background models, we show that passive source RTM can reconstruct dipping and vertically offset interfaces even in the presence of complex wave phenomena (such as caustics and point diffraction) and that its performance is superior to traditional receiver function analysis, e.g., common conversion point (CCP) stacking, in complex geological environments.

  2. 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.

  3. Functional Characterization of Nuclear Trafficking Signals in Pseudorabies Virus pUL31

    PubMed Central

    Paßvogel, Lars; Klupp, Barbara G.; Granzow, Harald; Fuchs, Walter

    2014-01-01

    ABSTRACT The herpesviral nuclear egress complex (NEC), consisting of pUL31 and pUL34 homologs, mediates efficient translocation of newly synthesized capsids from the nucleus to the cytosol. The tail-anchored membrane protein pUL34 is autonomously targeted to the nuclear envelope, while pUL31 is recruited to the inner nuclear membrane (INM) by interaction with pUL34. A nuclear localization signal (NLS) in several pUL31 homologs suggests importin-mediated translocation of the protein. Here we demonstrate that deletion or mutation of the NLS in pseudorabies virus (PrV) pUL31 resulted in exclusively cytosolic localization, indicating active nuclear export. Deletion or mutation of a predicted nuclear export signal (NES) in mutant constructs lacking a functional NLS resulted in diffuse nuclear and cytosolic localization, indicating that both signals are functional. pUL31 molecules lacking the complete NLS or NES were not recruited to the INM by pUL34, while site-specifically mutated proteins formed the NEC and partially complemented the defect of the UL31 deletion mutant. Our data demonstrate that the N terminus of pUL31, encompassing the NLS, is required for efficient nuclear targeting but not for pUL34 interaction, while the C terminus, containing the NES but not necessarily the NES itself, is required for complex formation and efficient budding of viral capsids at the INM. Moreover, pUL31-ΔNLS displayed a dominant negative effect on wild-type PrV replication, probably by diverting pUL34 to cytoplasmic membranes. IMPORTANCE The molecular details of nuclear egress of herpesvirus capsids are still enigmatic. Although the key players, homologs of herpes simplex virus pUL34 and pUL31, which interact and form the heterodimeric nuclear egress complex, are well known, the molecular basis of this interaction and the successive budding, vesicle formation, and scission from the INM, as well as capsid release into the cytoplasm, remain largely obscure. Here we show that

  4. Nuclear stability and transcriptional directionality separate functionally distinct RNA species.

    PubMed

    Andersson, Robin; Refsing Andersen, Peter; Valen, Eivind; Core, Leighton J; Bornholdt, Jette; Boyd, Mette; Heick Jensen, Torben; Sandelin, Albin

    2014-11-12

    Mammalian genomes are pervasively transcribed, yielding a complex transcriptome with high variability in composition and cellular abundance. Although recent efforts have identified thousands of new long non-coding (lnc) RNAs and demonstrated a complex transcriptional repertoire produced by protein-coding (pc) genes, limited progress has been made in distinguishing functional RNA from spurious transcription events. This is partly due to present RNA classification, which is typically based on technical rather than biochemical criteria. Here we devise a strategy to systematically categorize human RNAs by their sensitivity to the ribonucleolytic RNA exosome complex and by the nature of their transcription initiation. These measures are surprisingly effective at correctly classifying annotated transcripts, including lncRNAs of known function. The approach also identifies uncharacterized stable lncRNAs, hidden among a vast majority of unstable transcripts. The predictive power of the approach promises to streamline the functional analysis of known and novel RNAs.

  5. Cerebral functional connectivity and Mayer waves in mice: Phenomena and separability.

    PubMed

    Bumstead, Jonathan R; Bauer, Adam Q; Wright, Patrick W; Culver, Joseph P

    2017-02-01

    Resting-state functional connectivity is a growing neuroimaging approach that analyses the spatiotemporal structure of spontaneous brain activity, often using low-frequency (<0.08 Hz) hemodynamics. In addition to these fluctuations, there are two other low-frequency hemodynamic oscillations in a nearby spectral region (0.1-0.4 Hz) that have been reported in the brain: vasomotion and Mayer waves. Despite how close in frequency these phenomena exist, there is little research on how vasomotion and Mayer waves are related to or affect resting-state functional connectivity. In this study, we analyze spontaneous hemodynamic fluctuations over the mouse cortex using optical intrinsic signal imaging. We found spontaneous occurrence of oscillatory hemodynamics ∼0.2 Hz consistent with the properties of Mayer waves reported in the literature. Across a group of mice (n = 19), there was a large variability in the magnitude of Mayer waves. However, regardless of the magnitude of Mayer waves, functional connectivity patterns could be recovered from hemodynamic signals when filtered to the lower frequency band, 0.01-0.08 Hz. Our results demonstrate that both Mayer waves and resting-state functional connectivity patterns can co-exist simultaneously, and that they can be separated by applying bandpass filters.

  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. A functional renormalization method for wave propagation in random media

    NASA Astrophysics Data System (ADS)

    Lamagna, Federico; Calzetta, Esteban

    2017-08-01

    We develop the exact renormalization group approach as a way to evaluate the effective speed of the propagation of a scalar wave in a medium with random inhomogeneities. We use the Martin-Siggia-Rose formalism to translate the problem into a non equilibrium field theory one, and then consider a sequence of models with a progressively lower infrared cutoff; in the limit where the cutoff is removed we recover the problem of interest. As a test of the formalism, we compute the effective dielectric constant of an homogeneous medium interspersed with randomly located, interpenetrating bubbles. A simple approximation to the renormalization group equations turns out to be equivalent to a self-consistent two-loops evaluation of the effective dielectric constant.

  8. 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.

  9. 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.

  10. 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.

  11. Auxiliary-field-based trial wave functions in quantum Monte Carlo calculations

    DOE PAGES

    Chang, Chia -Chen; Rubenstein, Brenda M.; Morales, Miguel A.

    2016-12-19

    Quantum Monte Carlo (QMC) algorithms have long relied on Jastrow factors to incorporate dynamic correlation into trial wave functions. While Jastrow-type wave functions have been widely employed in real-space algorithms, they have seen limited use in second-quantized QMC methods, particularly in projection methods that involve a stochastic evolution of the wave function in imaginary time. Here we propose a scheme for generating Jastrow-type correlated trial wave functions for auxiliary-field QMC methods. The method is based on decoupling the two-body Jastrow into one-body projectors coupled to auxiliary fields, which then operate on a single determinant to produce a multideterminant trial wavemore » function. We demonstrate that intelligent sampling of the most significant determinants in this expansion can produce compact trial wave functions that reduce errors in the calculated energies. Lastly, our technique may be readily generalized to accommodate a wide range of two-body Jastrow factors and applied to a variety of model and chemical systems.« less

  12. 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.

  13. 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)

  14. The wave function for the ground state of H

    NASA Astrophysics Data System (ADS)

    Fontenelle, Marcia T.; Gallas, Jason A. C.; Gallas, Marcia R.

    1986-10-01

    The ground-state energy of H(-) is investigated using a variational function proposed by Wu and Tsai (1985). Contrary to the conclusions of Wu and Tsai, it is found that the Wu and Tsai function produces results comparable with a previous calculation of Williamson (1942). Furthermore, the explicit formulas given in the present paper can easily be applied to the helium isoelectronic series.

  15. 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)

  16. 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.

  17. Unveiling saturation effects from nuclear structure function measurements at the EIC

    NASA Astrophysics Data System (ADS)

    Marquet, Cyrille; Moldes, Manoel R.; Zurita, Pía

    2017-09-01

    We analyze the possibility of extracting a clear signal of non-linear parton saturation effects from future measurements of nuclear structure functions at the Electron-Ion Collider (EIC), in the small-x region. Our approach consists in generating pseudodata for electron-gold collisions, using the running-coupling Balitsky-Kovchegov evolution equation, and in assessing the compatibility of these saturated pseudodata with existing sets of nuclear parton distribution functions (nPDFs), extrapolated if necessary. The level of disagreement between the two is quantified by applying a Bayesian reweighting technique. This allows to infer the parton distributions needed in order to describe the pseudodata, which we find quite different from the actual distributions, especially for sea quarks and gluons. This tension suggests that, should saturation effects impact the future nuclear structure function data as predicted, a successful refitting of the nPDFs may not be achievable, which would unambiguously signal the presence of non-linear effects.

  18. Nuclear architecture as an epigenetic regulator of neural development and function.

    PubMed

    Alexander, J M; Lomvardas, S

    2014-04-04

    The nervous system of higher organisms is characterized by an enormous diversity of cell types that function in concert to carry out a myriad of neuronal functions. Differences in connectivity, and subsequent physiology of the connected neurons, are a result of differences in transcriptional programs. The extraordinary complexity of the nervous system requires an equally complex regulatory system. It is well established that transcription factor combinations and the organization of cis-regulatory sequences control commitment to differentiation programs and preserve a nuclear plasticity required for neuronal functions. However, an additional level of regulation is provided by epigenetic controls. Among various epigenetic processes, nuclear organization and the control of genome architecture emerge as an efficient and powerful form of gene regulation that meets the unique needs of the post-mitotic neuron. Here, we present an outline of how nuclear architecture affects transcription and provide examples from the recent literature where these principles are used by the nervous system.

  19. 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.

  20. 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. © 2016 The Author(s).