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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. 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.

  7. 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.

  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

    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.

  10. 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.

  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. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Nuclear Parton Distribution Functions

    SciTech Connect

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

    2009-06-01

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

  2. Nuclear functions of prefoldin

    PubMed Central

    Millán-Zambrano, Gonzalo; Chávez, Sebastián

    2014-01-01

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

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. Nuclear overlap functions

    SciTech Connect

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

    1995-07-01

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

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. 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

  17. 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

  18. 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.

  19. 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.

  20. Laser-Driven Ultra-Relativistic Plasmas - Nuclear Fusion in Coulomb Shock Waves, Rouge Waves, and Background Matter

    DTIC Science & Technology

    2015-05-05

    non-relativistic matter , radiation, and dark energy components. - 10 - In application to astrophysics and cosmology, our theory can describe the...AND SUBTITLE LASER-DRIVEN ULTRA-RELATIVISTIC PLASMAS - NUCLEAR FUSION IN COULOMB SHOCK WAVES, ROUGE WAVES, AND BACKGROUND MATTER . 5a.  CONTRACT

  1. 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.

  2. 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.

  3. 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.

  4. 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)

  5. 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.

  6. 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.

  7. Intercellular Ca2+ Waves: Mechanisms and Function

    PubMed Central

    Sanderson, Michael J.

    2012-01-01

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

  8. 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.

  9. 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.

  10. 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

  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. 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.

  14. Characterization of a Continuous Wave Laser for Resonance Ionization Mass Spectroscopy Analysis in Nuclear Forensics

    DTIC Science & Technology

    2015-06-01

    elements of concern. While current systems incorporate pulsed lasers for analysis of debris from nuclear detonation , the possibility exists to consider...nuclear detonation . The current approach to ionize uranium and plutonium uses three Ti-Sapphire pulsed lasers capable of a fundamental wavelength...pulsed lasers for analysis of debris from nuclear detonation , the possibility exists to consider using continuous wave, or CW lasers RIMS has the

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.}

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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).

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

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

    SciTech Connect

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

    2009-07-15

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

  7. 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

  8. 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.

  9. 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

  10. 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

  11. 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.

  12. 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…

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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).

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

    NASA Astrophysics Data System (ADS)

    Walsh, Braden Michael

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

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. "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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

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

    DOE Data Explorer

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

  2. 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

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

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

    PubMed

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

    2015-09-01

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

  12. [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.

  13. 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)].

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  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. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  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. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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)

  11. 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

  12. 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

  13. 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.

  14. 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.

  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. 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.

  17. 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.

  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. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  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. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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.

  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. 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

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. [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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  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. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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)

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. {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.

  7. 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

  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. 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.

  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. 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.

  13. 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

  14. 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.

  15. 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.

  16. Nuclear Pore Complexes and Nucleocytoplasmic Transport: From Structure to Function to Disease.

    PubMed

    Dickmanns, Achim; Kehlenbach, Ralph H; Fahrenkrog, Birthe

    2015-01-01

    Nucleocytoplasmic transport is an essential cellular activity and occurs via nuclear pore complexes (NPCs) that reside in the double membrane of the nuclear envelope. Significant progress has been made during the past few years in unravelling the ultrastructural organization of NPCs and their constituents, the nucleoporins, by cryo-electron tomography and X-ray crystallography. Mass spectrometry and genomic approaches have provided deeper insight into the specific regulation and fine tuning of individual nuclear transport pathways. Recent research has also focused on the roles nucleoporins play in health and disease, some of which go beyond nucleocytoplasmic transport. Here we review emerging results aimed at understanding NPC architecture and nucleocytoplasmic transport at the atomic level, elucidating the specific function individual nucleoporins play in nuclear trafficking, and finally lighting up the contribution of nucleoporins and nuclear transport receptors in human diseases, such as cancer and certain genetic disorders.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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

  8. 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...

  9. 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.

  10. 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)

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.

    PubMed

    García de la Vega, J M; Omar, S; San Fabián, J

    2017-04-01

    Spin-spin coupling constants in water monomer and dimer have been calculated using several wave function and density functional-based methods. CCSD, MCSCF, and SOPPA wave functions methods yield similar results, specially when an additive approach is used with the MCSCF. Several functionals have been used to analyze their performance with the Jacob's ladder and a set of functionals with different HF exchange were tested. Functionals with large HF exchange appropriately predict (1) J O H , (2) J H H and (2h) J O O couplings, while (1h) J O H is better calculated with functionals that include a reduced fraction of HF exchange. Accurate functionals for (1) J O H and (2) J H H have been tested in a tetramer water model. The hydrogen bond effects on these intramolecular couplings are additive when they are calculated by SOPPA(CCSD) wave function and DFT methods. Graphical Abstract Evaluation of the additive effect of the hydrogen bond on spin-spin coupling constants of water using WF and DFT methods.

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

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

    PubMed

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

    2016-08-01

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

  18. Equality of bulk wave functions and edge correlations in some topological superconductors: a spacetime derivation.

    PubMed

    Shankar, R; Vishwanath, Ashvin

    2011-09-02

    For certain systems, the N-particle ground-state wave functions of the bulk happen to be exactly equal to the N-point spacetime correlation functions at the edge, in the infrared limit. We show why this had to be so for a class of topological superconductors, beginning with the p+ip state in D=2+1. Varying the chemical potential as a function of Euclidean time between weak and strong pairing states is shown to extract the wave function. Then a Euclidean rotation that exchanges time and space and approximate Lorentz invariance lead to the edge connection. This framework readily generalizes to other dimensions. We illustrate it with a D=3+1 example, superfluid 3He- B, and a p-wave superfluid in D=1+1. Our method works only when the particle number is not conserved, as in superconductors.

  19. Yields of Soviet underground nuclear explosions at Novaya Zemlya, 1964-1976, from seismic body and surface waves

    PubMed Central

    Sykes, Lynn R.; Wiggins, Graham C.

    1986-01-01

    Surface and body wave magnitudes are determined for 15 U.S.S.R. underground nuclear weapons tests conducted at Novaya Zemlya between 1964 and 1976 and are used to estimate yields. These events include the largest underground explosions detonated by the Soviet Union. A histogram of body wave magnitude (mb) values indicates a clustering of explosions at a few specific yields. The most pronounced cluster consists of six explosions of yield near 500 kilotons. Several of these seem to be tests of warheads for major strategic systems that became operational in the late 1970s. The largest Soviet underground explosion is estimated to have a yield of 3500 ± 600 kilotons, somewhat smaller than the yield of the largest U.S. underground test. A preliminary estimation of the significance of tectonic release is made by measuring the amplitude of Love waves. The bias in mb for Novaya Zemlya relative to the Nevada test site is about 0.35, nearly identical to that of the eastern Kazakhstan test site relative to Nevada. PMID:16593645

  20. A Fortran program to calculate the matrix elements of the Coulomb interaction involving hydrogenic wave functions

    NASA Astrophysics Data System (ADS)

    Sarkadi, L.

    2017-03-01

    The program MTRXCOUL [1] calculates the matrix elements of the Coulomb interaction between a charged particle and an atomic electron, ∫ψf∗ (r) | R - r | - 1ψi(r) d r. Bound-free transitions are considered, and non-relativistic hydrogenic wave functions are used. In this revised version a bug discovered in the F3Y CPC Program Library (PL) subprogram [2] is fixed. Furthermore, the COULCC CPC PL subprogram [3] applied for the calculations of the radial wave functions of the free states and the Bessel functions is replaced by the CPC PL subprogram DCOUL [4].

  1. Transient difference solutions of the inhomogeneous wave equation: Simulation of the Green's function

    NASA Technical Reports Server (NTRS)

    Baumeiste, K. J.

    1983-01-01

    A time-dependent finite difference formulation to the inhomogeneous wave equation is derived for plane wave propagation with harmonic noise sources. The difference equation and boundary conditions are developed along with the techniques to simulate the Dirac delta function associated with a concentrated noise source. Example calculations are presented for the Green's function and distributed noise sources. For the example considered, the desired Fourier transformed acoustic pressures are determined from the transient pressures by use of a ramping function and an integration technique, both of which eliminates the nonharmonic pressure associated with the initial transient.

  2. Density differences for near-Hartree-Fock atomic wave functions

    NASA Astrophysics Data System (ADS)

    Schmider, Hartmut; Sagar, Robin P.; Smith, Vedene H., Jr.

    1994-05-01

    The widely used near-Hartree-Fock functions of Clementi and Roetti [At. Data Nucl. Data Tables 14, 177 (1974)] are compared with the newer functions of Bunge et al. [At. Data Nucl. Tables 53, 113 (1993)] by means of different measures of functional distance on the charge density ρ for the atoms He to Xe. The results are correlated with the energy improvement, and an empriical relation between the linear deviation in the first derivative of ρ and the total energy is reported.

  3. 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.

  4. Dynamical model for longitudinal wave functions in light-front holographic QCD

    SciTech Connect

    Chabysheva, Sophia S.; Hiller, John R.

    2013-10-15

    We construct a Schrödinger-like equation for the longitudinal wave function of a meson in the valence qq{sup -bar} sector, based on the ’t Hooft model for large-N two-dimensional QCD, and combine this with the usual transverse equation from light-front holographic QCD, to obtain a model for mesons with massive quarks. The computed wave functions are compared with the wave function ansatz of Brodsky and de Téramond and used to compute decay constants and parton distribution functions. The basis functions used to solve the longitudinal equation may be useful for more general calculations of meson states in QCD. -- Highlights: •Provide relativistic quark model based on light-front holographic QCD. •Incorporate dependence on quark mass. •Consistent with the Brodsky–de Téramond quark-wave-function ansatz. •Compute meson decay constants and parton distribution functions. •Illustrate use of basis functions that could be convenient for more general numerical calculations in light-front QCD.

  5. Roothaan-Hartree-Fock wave functions for atoms with Z<=54

    NASA Astrophysics Data System (ADS)

    Koga, Toshikatsu; Tatewaki, Hiroshi; Thakkar, Ajit J.

    1993-05-01

    The widely used Roothaan-Hartree-Fock wave functions of Clementi and Roetti [At. Data Nucl. Data Tables 14, 177 (1974)] for the atoms from He through Xe are improved by reoptimization of the exponents of the Slater-type basis functions. The largest improvement in the energy is 0.053 hartree for Cd.

  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. 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

  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. Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in a full-symmetry approach

    NASA Astrophysics Data System (ADS)

    Lapierre, David; Alijah, Alexander; Kochanov, Roman; Kokoouline, Viatcheslav; Tyuterev, Vladimir

    2016-10-01

    Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of O163 were determined using a previously developed efficient approach, which combines hyperspherical coordinates and a complex absorbing potential. The calculations are based on a recently computed potential energy surface of ozone determined with a spectroscopic accuracy [Tyuterev et al., J. Chem. Phys. 139, 134307 (2013), 10.1063/1.4821638]. The effect of permutational symmetry on rovibrational dynamics and the density of resonance states in O3 is discussed in detail. Correspondence between quantum numbers appropriate for short- and long-range parts of wave functions of the rovibrational continuum is established. It is shown, by symmetry arguments, that the allowed purely vibrational (J =0 ) levels of O163 and O183, both made of bosons with zero nuclear spin, cannot dissociate on the ground-state potential energy surface. Energies and wave functions of bound states of the ozone isotopologue O163 with rotational angular momentum J =0 and 1 up to the dissociation threshold were also computed. For bound levels, good agreement with experimental energies is found: The rms deviation between observed and calculated vibrational energies is 1 cm-1. Rotational constants were determined and used for a simple identification of vibrational modes of calculated levels.

  10. 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.

  11. 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.

  12. Molecular and functional characterization of a Trypanosoma cruzi nuclear adenylate kinase isoform.

    PubMed

    Cámara, María de los Milagros; Bouvier, León A; Canepa, Gaspar E; Miranda, Mariana R; Pereira, Claudio A

    2013-01-01

    Trypanosoma cruzi, the etiological agent of Chagas' disease, is an early divergent eukaryote in which control of gene expression relies mainly in post-transcriptional mechanisms. Transcription levels are globally up and down regulated during the transition between proliferating and non-proliferating life-cycle stages. In this work we characterized a nuclear adenylate kinase isoform (TcADKn) that is involved in ribosome biogenesis. Nuclear adenylate kinases have been recently described in a few organisms, being all related to RNA metabolism. Depending on active transcription and translation, TcADKn localizes in the nucleolus or the cytoplasm. A non-canonical nuclear localization signal was mapped towards the N-terminal of the protein, being the phosphate-binding loop essential for its localization. In addition, TcADKn nuclear exportation depends on the nuclear exportation adapter CRM1. TcADKn nuclear shuttling is governed by nutrient availability, oxidative stress and by the equivalent in T. cruzi of the mammalian TOR (Target of Rapamycin) pathway. One of the biological functions of TcADKn is ribosomal 18S RNA processing by direct interaction with ribosomal protein TcRps14. Finally, TcADKn expression is regulated by its 3' UTR mRNA. Depending on extracellular conditions, cells modulate protein translation rates regulating ribosome biogenesis and nuclear adenylate kinases are probably key components in these processes.

  13. Molecular and Functional Characterization of a Trypanosoma cruzi Nuclear Adenylate Kinase Isoform

    PubMed Central

    Cámara, María de los Milagros; Bouvier, León A.; Canepa, Gaspar E.; Miranda, Mariana R.; Pereira, Claudio A.

    2013-01-01

    Trypanosoma cruzi, the etiological agent of Chagas' disease, is an early divergent eukaryote in which control of gene expression relies mainly in post-transcriptional mechanisms. Transcription levels are globally up and down regulated during the transition between proliferating and non-proliferating life-cycle stages. In this work we characterized a nuclear adenylate kinase isoform (TcADKn) that is involved in ribosome biogenesis. Nuclear adenylate kinases have been recently described in a few organisms, being all related to RNA metabolism. Depending on active transcription and translation, TcADKn localizes in the nucleolus or the cytoplasm. A non-canonical nuclear localization signal was mapped towards the N-terminal of the protein, being the phosphate-binding loop essential for its localization. In addition, TcADKn nuclear exportation depends on the nuclear exportation adapter CRM1. TcADKn nuclear shuttling is governed by nutrient availability, oxidative stress and by the equivalent in T. cruzi of the mammalian TOR (Target of Rapamycin) pathway. One of the biological functions of TcADKn is ribosomal 18S RNA processing by direct interaction with ribosomal protein TcRps14. Finally, TcADKn expression is regulated by its 3′ UTR mRNA. Depending on extracellular conditions, cells modulate protein translation rates regulating ribosome biogenesis and nuclear adenylate kinases are probably key components in these processes. PMID:23409202

  14. Mito-nuclear co-evolution: the positive and negative sides of functional ancient mutations.

    PubMed

    Levin, Liron; Blumberg, Amit; Barshad, Gilad; Mishmar, Dan

    2014-01-01

    Most cell functions are carried out by interacting factors, thus underlying the functional importance of genetic interactions between genes, termed epistasis. Epistasis could be under strong selective pressures especially in conditions where the mutation rate of one of the interacting partners notably differs from the other. Accordingly, the order of magnitude higher mitochondrial DNA (mtDNA) mutation rate as compared to the nuclear DNA (nDNA) of all tested animals, should influence systems involving mitochondrial-nuclear (mito-nuclear) interactions. Such is the case of the energy producing oxidative phosphorylation (OXPHOS) and mitochondrial translational machineries which are comprised of factors encoded by both the mtDNA and the nDNA. Additionally, the mitochondrial RNA transcription and mtDNA replication systems are operated by nDNA-encoded proteins that bind mtDNA regulatory elements. As these systems are central to cell life there is strong selection toward mito-nuclear co-evolution to maintain their function. However, it is unclear whether (A) mito-nuclear co-evolution befalls only to retain mitochondrial functions during evolution or, also, (B) serves as an adaptive tool to adjust for the evolving energetic demands as species' complexity increases. As the first step to answer these questions we discuss evidence of both negative and adaptive (positive) selection acting on the mtDNA and nDNA-encoded genes and the effect of both types of selection on mito-nuclear interacting factors. Emphasis is given to the crucial role of recurrent ancient (nodal) mutations in such selective events. We apply this point-of-view to the three available types of mito-nuclear co-evolution: protein-protein (within the OXPHOS system), protein-RNA (mainly within the mitochondrial ribosome), and protein-DNA (at the mitochondrial replication and transcription machineries).

  15. K Basin spent nuclear fuel hot conditioning system functions {ampersand} requirements

    SciTech Connect

    Miska, C.R., Westinghouse Hanford

    1996-07-08

    The purpose of this F{ampersand}R document is to establish the functional requirements baseline for the Spent Nuclear Fuel Hot Conditioning System (HCS) subproject. This F{ampersand}R documents the: -mission of the HCS, -evolution of the technical baseline leading to the HCS, -functions that must be performed to accomplish the HCS mission, -requirements basis allocated to the HCS mission and functions, -identification and definition of interfaces between the HCS and other SNF subprojects.

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

    SciTech Connect

    Casanova, David; Krylov, Anna I.

    2016-01-07

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

  17. Application of Coulomb Wave Function DVR to Atomic Systems in Strong Laser Fields

    NASA Astrophysics Data System (ADS)

    Peng, Liang-You; Starace, Anthony F.

    2006-05-01

    We present an efficient and accurate grid method for solving the time-dependent Schr"odinger equation (TDSE) for atomic systems interacting with short laser pulses. The radial part of the wave function is expanded in a DVR (Discrete Variable Representation) basis constructed from the positive energy Coulomb wave function. The time propagation of the wave function is implemented using the well-known Arnoldi method. Compared with the usual finite difference (FD) discretization scheme for the radial coordinate, this method requires fewer grid points and handles naturally the Coulomb singularity at the origin. As examples, the method is shown to give accurate ionization rates for both H and H^- over a wide range of laser parameters.

  18. Temperature-dependent nuclear partition functions and abundances in the stellar interior

    NASA Astrophysics Data System (ADS)

    Nabi, Jameel-Un; Nasser Tawfik, Abdel; Ezzelarab, Nada; Abas Khan, Ali

    2016-05-01

    We calculate the temperature-dependent nuclear partition functions (TDNPFs) and nuclear abundances for 728 nuclei, assuming nuclear statistical equilibrium (NSE). The theories of stellar evolution support NSE. Discrete nuclear energy levels have been calculated microscopically, using the pn-QRPA theory, up to an excitation energy of 10 MeV in the calculation of the TDNPFs. This feature of our paper distinguishes it from previous calculations. Experimental data is also incorporated wherever available to ensure the reliability of our results. Beyond 10 MeV, we employ a simple Fermi gas model and perform integration over the nuclear level densities to approximate the TDNPFs. We calculate nuclidic abundances, using the Saha equation, as a function of three parameters: stellar density, stellar temperature and the lepton-to-baryon content of stellar matter. All these physical parameters are considered to be extremely important in the stellar interior. The results obtained in this paper show that the equilibrium configuration of nuclei remains unaltered by increasing the stellar density (only the calculated nuclear abundances increase by roughly the same order of magnitude). Increasing the stellar temperature smoothes the equilibrium configuration showing peaks at the neutron-number magic nuclei.

  19. Nuclear level densities and gamma-ray strength functions of 145,149,151Nd isotopes

    NASA Astrophysics Data System (ADS)

    Ay, K. O.; Ozgur, M.; Algin, E.; Guttormsen, M.; Bello Garrote, F. L.; Crespo Campo, L.; Görgen, A.; Hagen, T. W.; Ingeberg, V. W.; Kheswa, B. V.; Klintefjord, M.; Larsen, A. C.; Midtbo, J. E.; Modamio, V.; Renstrom, T.; Rose, S. J.; Sahin, E.; Siem, S.; Tveten, G. M.; Zeiser, F.

    2016-10-01

    The nuclear level densities and gamma-ray strength functions are the key elements for Hauser-Feshbach statistical model calculations to predict reaction cross sections which have many applications including astrophysics. The nuclear level densities and y-ray strength functions have been determined for 145,149,151Nd isotopes below the neutron separation energies using the Oslo method with the 144,148,150Nd(d,p) reactions. The results from the first measurements as well as planned experiments at OCL will be presented.

  20. Functional insights from studies on the structure of the nuclear pore and coat protein complexes.

    PubMed

    Schwartz, Thomas

    2013-07-01

    The nuclear envelope (NE) is a specific extension of the endoplasmic reticulum (ER) that wraps around the nucleus and enables the spatial separation of gene transcription and protein translation, one of the signature features of eukaryotes. Rather than being completely closed, the double lipid bilayer of the NE is perforated at sites where the inner and outer nuclear membranes fuse, resulting in circular openings lined with sharply bent membranes. These openings are filled with nuclear pore complexes (NPCs), enormous protein assemblies that facilitate nuclear transport. The scaffold components of the NPC surprisingly share interesting similarities with elements of coat protein complexes, which have general implications for function and evolution of these membrane-coating complexes. Here I discuss, from a structural perspective, what these findings might teach us.

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

    PubMed

    König, Carolin; Christiansen, Ove

    2015-04-14

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

  2. Kinetic correlation in the final-state wave function in photo-double-ionization of He

    SciTech Connect

    Otranto, S.; Garibotti, C. R.

    2003-06-01

    We evaluate the triply differential cross section (TDCS) for photo-double-ionization of helium. We use a final continuum wave function which correlates the motion of the three particles, through an expansion in products of two-body Coulomb functions. This function satisfies a set of appropriate physical conditions in the coalescence points, in addition to the correct asymptotic behavior condition. We analyze the effect of this correlation in the TDCS and compare our results with experimental data.

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

    SciTech Connect

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

    2015-10-28

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

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

    PubMed

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

    2015-10-28

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

  5. Second-Order Moller-Plesset Perturbation Theory for Molecular Dirac-Hartree-Fock Wave Functions

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.; Arnold, James O. (Technical Monitor)

    1994-01-01

    Moller-Plesset perturbation theory is developed to second order for a selection of Kramers restricted Dirac-Hartree-Fock closed and open-shell reference wave functions. The open-shell wave functions considered are limited to those with no more than two electrons in open shells, but include the case of a two-configuration SCF reference. Denominator shifts are included in the style of Davidson's OPT2 method. An implementation which uses unordered integrals with labels is presented, and results are given for a few test cases.

  6. A system’s wave function is uniquely determined by its underlying physical state

    NASA Astrophysics Data System (ADS)

    Colbeck, Roger; Renner, Renato

    2017-01-01

    We address the question of whether the quantum-mechanical wave function Ψ of a system is uniquely determined by any complete description Λ of the system’s physical state. We show that this is the case if the latter satisfies a notion of ‘free choice’. This notion requires that certain experimental parameters—those that according to quantum theory can be chosen independently of other variables—retain this property in the presence of Λ. An implication of this result is that, among all possible descriptions Λ of a system’s state compatible with free choice, the wave function {{\\Psi }} is as objective as Λ.

  7. Constraining nuclear equations of state using gravitational waves from hypermassive neutron stars.

    PubMed

    Shibata, Masaru

    2005-05-27

    Latest general relativistic simulations for the merger of binary neutron stars with realistic equations of states (EOSs) show that a hypermassive neutron star of an ellipsoidal figure is formed after the merger if the total mass is smaller than a threshold value which depends on the EOSs. The effective amplitude of quasiperiodic gravitational waves from such hypermassive neutron stars is approximately 6-7 x 10(-21) at a distance of 50 Mpc, which may be large enough for detection by advanced laser interferometric gravitational wave detectors although the frequency is high, approximately 3 kHz. We point out that the detection of such signals may lead to constraining the EOSs for neutron stars.

  8. Multi-Nucleon Short-Range Correlation Model for Nuclear Spectral Functions.

    NASA Astrophysics Data System (ADS)

    Artiles, Oswaldo; Sargsian, Misak

    2017-01-01

    We develop a theoretical model for nuclear spectral functions at high missing momenta and energies based on the multi-nucleon short-range correlation (SRC) model aimed at probing nuclear structure at short-distances. The model is based on the effective Feynman diagram method which allows us to account for the relativistic effects in the SRC domain. We derive the contribution of two-nucleon SRC with center of mass motion, and three-nucleon SRCs to the nuclear spectral functions. The spectral functions are based on two theoretical approaches in evaluating covariant Feynman diagrams: In the first, referred to as virtual nucleon approximation, we reduce Feynman diagrams to the time ordered non-covariant diagrams by evaluating nucleon spectators on the SRC at their positive energy poles, neglecting the contribution from vacuum diagrams. In the second approach, referred to as light-front approximation, we formulate the boost invariant nuclear spectral function on the light-front reference frame, on which the vacuum diagrams are suppressed. Numerical calculations and parametrization of spectral functions and momentum distributions are presented. This work is supported by U.S. Department of Energy grant under contract DE- FG02-01ER41172.

  9. Wave function properties of a single and a system of magnetic flux tube(s) oscillations

    NASA Astrophysics Data System (ADS)

    Esmaeili, Shahriar; Nasiri, Mojtaba; Dadashi, Neda; Safari, Hossein

    2016-10-01

    In this study, the properties of wave functions of the MHD oscillations for a single and a system of straight flux tubes are investigated. Magnetic flux tubes with a straight magnetic field and longitudinal density stratification were considered in zero-β approximation. A single three-dimensional wave equation (eigenvalue problem) is solved for longitudinal component of the perturbed magnetic field using the finite element method. Wave functions (eigenfunction of wave equation) of the MHD oscillations are categorized into sausage, kink, helical kink, and fluting modes. Exact recognition of the wave functions and the frequencies of oscillations can be used in coronal seismology and also helps to the future high-resolution instruments that would be designed for studying the properties of the solar loop oscillations in details. The properties of collective oscillations of nonidentical and identical system of flux tubes and their interactions are studied. The ratios of frequencies, the oscillation frequencies of a system of flux tubes to their equivalent monolithic tube (ω sys/ω mono), are obtained between 0.748 and 0.841 for a system of nonidentical tubes, whereas the related ratios of frequencies for a system of identical flux tubes are fluctuated around 0.761.

  10. Joint inversion of surface wave dispersion and receiver functions for crustal structure in Oklahoma

    NASA Astrophysics Data System (ADS)

    Guo, Hao

    The surge in seismicity in Oklahoma starting in 2008 raises questions about the actual locations of the earthquakes in the upper crust. The key to answering this is an improved crustal model that explains as many observations as possible. Love and Rayleigh wave dispersion, teleseismic P-wave receiver functions and some unique transverse motions observed at distances less than 100 km that are characteristics of rays reverberating in a basin provide data to derive the crustal model. The surface wave dispersion data set consists of over 300,000 Love/Rayleigh phase/group values obtained from ambient noise cross-correlation of BH channels of the 133 Transportable Array (TA) stations of Earthscope to periods as short as 2 seconds. Station coverage is dense enough to perform the tomography on a 25*25 km grid that should be able to image shallow geological structures. In addition, receiver functions were obtained using teleseismic data recorded from 3 US Geological Survey Networks (GS) stations and 6 Oklahoma Seismic Network (OK) stations from 2011 to 2014. The 1-D S-wave velocity models derived by the joint inversion of surface wave dispersion and receiver functions with geological constraints are tested by fitting the independent transverse seismograms. This test also provides constraints on the earthquake depths in relation to the geological structure.

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

  12. From asymmetric nuclear matter to neutron stars: A functional renormalization group study

    NASA Astrophysics Data System (ADS)

    Drews, Matthias; Weise, Wolfram

    2015-03-01

    A previous study of nuclear matter in a chiral nucleon-meson model is extended to isospin-asymmetric matter. Fluctuations beyond mean-field approximation are treated in the framework of the functional renormalization group. The nuclear liquid-gas phase transition is investigated in detail as a function of the proton fraction in asymmetric matter. The equations of state at zero temperature of both symmetric nuclear matter and pure neutron matter are found to be in good agreement with realistic many-body computations. We also study the density dependence of the pion mass in the medium. The question of chiral symmetry restoration in neutron matter is addressed; we find a stabilization of the phase with spontaneously broken chiral symmetry once fluctuations are included. Finally, neutron-star matter including β equilibrium is discussed. The model satisfies the constraints imposed by the existence of two-solar mass neutron stars.

  13. Posttranslational marks control architectural and functional plasticity of the nuclear pore complex basket

    PubMed Central

    Niño, Carlos A.; Guet, David; Gay, Alexandre; Brutus, Sergine; Jourquin, Frédéric; Mendiratta, Shweta; Salamero, Jean; Géli, Vincent

    2016-01-01

    The nuclear pore complex (NPC) serves as both the unique gate between the nucleus and the cytoplasm and a major platform that coordinates nucleocytoplasmic exchanges, gene expression, and genome integrity. To understand how the NPC integrates these functional constraints, we dissected here the posttranslational modifications of the nuclear basket protein Nup60 and analyzed how they intervene to control the plasticity of the NPC. Combined approaches highlight the role of monoubiquitylation in regulating the association dynamics of Nup60 and its partner, Nup2, with the NPC through an interaction with Nup84, a component of the Y complex. Although major nuclear transport routes are not regulated by Nup60 modifications, monoubiquitylation of Nup60 is stimulated upon genotoxic stress and regulates the DNA-damage response and telomere repair. Together, these data reveal an original mechanism contributing to the plasticity of the NPC at a molecular-organization and functional level. PMID:26783300

  14. Catastrophes in non-equilibrium many-particle wave functions: universality and critical scaling

    NASA Astrophysics Data System (ADS)

    Mumford, J.; Kirkby, W.; O’Dell, D. H. J.

    2017-02-01

    As part of the quest to uncover universal features of quantum dynamics, we study catastrophes that form in simple many-particle wave functions following a quench, focusing on two-mode systems that include the two-site Bose–Hubbard model, and under some circumstances optomechanical systems and the Dicke model. When the wave function is plotted in Fock space certain characteristic shapes, that we identify as cusp catastrophes, appear under generic conditions. In the vicinity of a cusp the wave function takes on a universal structure described by the Pearcey function and obeys scaling relations which depend on the total number of particles N. In the thermodynamic limit (N\\to ∞ ) the cusp becomes singular, but at finite N it is decorated by an interference pattern. This pattern contains an intricate network of vortex–antivortex pairs, initiating a theory of topological structures in Fock space. In the case where the quench is a δ-kick the problem can be solved analytically and we obtain scaling exponents for the size and position of the cusp, as well as those for the amplitude and characteristic length scales of its interference pattern. Finally, we use these scalings to describe the wave function in the critical regime of a {{{Z}}}2 symmetry-breaking dynamical phase transition.

  15. An analysis of the accuracy of an initial value representation surface hopping wave function in the interaction and asymptotic regions.

    PubMed

    Sergeev, Alexey; Herman, Michael F

    2006-07-14

    The behavior of an initial value representation surface hopping wave function is examined. Since this method is an initial value representation for the semiclassical solution of the time independent Schrodinger equation for nonadiabatic problems, it has computational advantages over the primitive surface hopping wave function. The primitive wave function has been shown to provide transition probabilities that accurately compare with quantum results for model problems. The analysis presented in this work shows that the multistate initial value representation surface hopping wave function should approach the primitive result in asymptotic regions and provide transition probabilities with the same level of accuracy for scattering problems as the primitive method.

  16. Using an r-dependent Gaussian width in calculations of the globally uniform semiclassical wave function.

    PubMed

    Herman, Michael F; Sergeev, Alexey

    2007-01-21

    The globally uniform semiclassical wave function expresses the solution to the time independent Schrodinger equation in terms of fixed width Gaussian wave packets traveling along a set of trajectories. There is a globally uniform wave function (GUWF) for each value of the Gaussian width parameter gamma. Numerical data show that a small Gaussian width is needed in some regions to obtain accurate results, while a broad Gaussian width provides better results in other regions. Since there is a semiclassically valid GUWF for every positive value of gamma, it is reasonable to employ the GUWF corresponding to a Gaussian width that provides good results at each value of r. A criterion for the r dependent choice of gamma is proposed and tested on one and two dimensional model problems. The results show that the use of an r dependent gamma in the GUWF results in improved accuracy for the model problems considered.

  17. Description of induced nuclear fission with Skyrme energy functionals. II. Finite temperature effects

    NASA Astrophysics Data System (ADS)

    Schunck, N.; Duke, D.; Carr, H.

    2015-03-01

    Understanding the mechanisms of induced nuclear fission for a broad range of neutron energies could help resolve fundamental science issues, such as the formation of elements in the universe, but could have also a large impact on societal applications in energy production or nuclear waste management. The goal of this paper is to set up the foundations of a microscopic theory to study the static aspects of induced fission as a function of the excitation energy of the incident neutron, from thermal to fast neutrons. To account for the high excitation energy of the compound nucleus, we employ a statistical approach based on finite temperature nuclear density functional theory with Skyrme energy densities, which we benchmark on the 239Pu(n ,f ) reaction. We compute the evolution of the least-energy fission pathway across multidimensional potential energy surfaces with up to five collective variables as a function of the nuclear temperature and predict the evolution of both the inner and the outer fission barriers as a function of the excitation energy of the compound nucleus. We show that the coupling to the continuum induced by the finite temperature is negligible in the range of neutron energies relevant for many applications of neutron-induced fission. We prove that the concept of quantum localization introduced recently can be extended to T >0 , and we apply the method to study the interaction energy and total kinetic energy of fission fragments as a function of the temperature for the most probable fission. While large uncertainties in theoretical modeling remain, we conclude that a finite temperature nuclear density functional may provide a useful framework to obtain accurate predictions of fission fragment properties.

  18. Nuclear forces from lattice QCD

    SciTech Connect

    Ishii, Noriyoshi

    2011-05-06

    Lattice QCD construction of nuclear forces is reviewed. In this method, the nuclear potentials are constructed by solving the Schroedinger equation, where equal-time Nambu-Bethe-Salpeter (NBS) wave functions are regarded as quantum mechanical wave functions. Since the long distance behavior of equal-time NBS wave functions is controlled by the scattering phase, which is in exactly the same way as scattering wave functions in quantum mechanics, the resulting potentials are faithful to the NN scattering data. The derivative expansion of this potential leads to the central and the tensor potentials at the leading order. Some of numerical results of these two potentials are shown based on the quenched QCD.

  19. Nuclear envelope attachment is not necessary for telomere function in fission yeast.

    PubMed

    Chikashige, Yuji; Haraguchi, Tokuko; Hiraoka, Yasushi

    2010-01-01

    Inner nuclear membrane (INM) proteins can be important for positioning chromosomes within the nucleus. Little is known about INM proteins in the fission yeast Schizossacharomayces pombe. Telomeres are the most obvious chromosomal sites that are anchored to the nuclear envelope in this organism. A group of proteins that tether telomeres to the spindle-pole body (SPB) during meiotic prophase, such as Bqt1, Bqt2 and Sad1, has been identified previously, but proteins for anchoring telomeres to the nuclear envelope in vegetative cells have not been identified until recently. A recent report demonstrates that Bqt3 and Bqt4 are INM proteins that affect nuclear positioning of telomeres in vegetative cells, and consequently affect the telomere clustering in meiotic prophase. Interestingly, in the absence of Bqt4, telomeres are separated from the nuclear envelope but telomere silencing and telomere length are properly regulated. An important implication of these results is that the functional integrity of telomeres is maintained independently of their connection to the nuclear envelope.

  20. The roles and functions of a lunar base Nuclear Technology Center

    NASA Astrophysics Data System (ADS)

    Buden, D.; Angelo, J. A., Jr.

    This paper describes the roles and functions of a special Nuclear Technology Center which is developed as an integral part of a permanent lunar base. Numerous contemporary studies clearly point out that nuclear energy technology will play a major role in any successful lunar/Mars initiative program and in the overall establishment of humanity's solar system civilization. The key role of nuclear energy in the providing power has been recognized. A Nuclear Technology Center developed as part of a permanent lunar base can also help bring about many other nuclear technology applications, such as producing radioisotopes for self-illumination, food preservation, waste sterilization, and medical treatment; providing thermal energy for mining, materials processing and agricultural; and as a source of emergency habitat power. Designing such a center will involve the deployment, operation, servicing and waste product management and disposal of megawatt class reactor power plants. This challenge must be met with a minimum of direct human support at the facility. Furthermore, to support the timely, efficient integration of this Nuclear Technology Center in the evolving lunar base infrastructure, an analog of such a facility will be needed here on Earth.

  1. The roles and functions of a lunar base Nuclear Technology Center

    SciTech Connect

    Buden, D. ); Angelo, J.A. Jr. )

    1991-01-01

    This paper describes the roles and functions of a special Nuclear Technology Center which is developed as an integral part of a permanent lunar base. Numerous contemporary studies clearly point out that nuclear energy technology will play a major role in any successful lunar/Mars initiative program and in the overall establishment of humanity's solar system civilization. The key role of nuclear energy in the providing power has been recognized. A Nuclear Technology Center developed as part of of a permanent lunar base can also help bring about many other nuclear technology applications, such as producing radioisotopes for self-illumination, food preservation, waste sterilization, and medical treatment; providing thermal energy for mining, materials processing and agricultural; and as a source of emergency habitat power. Designing such a center will involve the deployment, operation, servicing and waste product management and disposal of megawatt class reactor power plants. This challenge must be met with a minimum of direct human support at the facility. Furthermore, to support the timely, efficient integration of this Nuclear Technology Center in the evolving lunar base infrastructure, an analog of such a facility will be needed here on Earth. 12 refs., 4 figs., 1 tab.

  2. Coupled-cluster Green's function: Analysis of properties originating in the exponential parametrization of the ground-state wave function

    NASA Astrophysics Data System (ADS)

    Peng, Bo; Kowalski, Karol

    2016-12-01

    In this paper we derive basic properties of the Green's-function matrix elements stemming from the exponential coupled-cluster (CC) parametrization of the ground-state wave function. We demonstrate that all intermediates used to express the retarded (or, equivalently, ionized) part of the Green's function in the ω representation can be expressed only through connected diagrams. Similar properties are also shared by the first-order ω derivative of the retarded part of the CC Green's function. Moreover, the first-order ω derivative of the CC Green's function can be evaluated analytically. This result can be generalized to any order of ω derivatives. Through the Dyson equation, derivatives of the corresponding CC self-energy operator can be evaluated analytically. In analogy to the CC Green's function, the corresponding CC self-energy operator can be represented by connected terms. Our analysis can easily be generalized to the advanced part of the CC Green's function.

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

    PubMed

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

    1993-09-01

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

  4. Electromagnetic wave emitting products and ``Kikoh'' potentiate human leukocyte functions

    NASA Astrophysics Data System (ADS)

    Niwa, Yukie; Iizawa, Osamu; Ishimoto, Koichi; Jiang, Xiaoxia; Kanoh, Tadashi

    1993-09-01

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

  5. Mutational analysis of Mdm1p function in nuclear and mitochondrial inheritance.

    PubMed

    Fisk, H A; Yaffe, M P

    1997-08-11

    Nuclear and mitochondrial transmission to daughter buds of Saccharomyces cerevisiae depends on Mdm1p, an intermediate filament-like protein localized to numerous punctate structures distributed throughout the yeast cell cytoplasm. These structures disappear and organelle inheritance is disrupted when mdm1 mutant cells are incubated at the restrictive temperature. To characterize further the function of Mdm1p, new mutant mdm1 alleles that confer temperature-sensitive growth and defects in organelle inheritance but produce stable Mdm1p structures were isolated. Microscopic analysis of the new mdm1 mutants revealed three phenotypic classes: Class I mutants showed defects in both mitochondrial and nuclear transmission; Class II alleles displayed defective mitochondrial inheritance but had no effect on nuclear movement; and Class III mutants showed aberrant nuclear inheritance but normal mitochondrial distribution. Class I and II mutants also exhibited altered mitochondrial morphology, possessing primarily small, round mitochondria instead of the extended tubular structures found in wild-type cells. Mutant mdm1 alleles affecting nuclear transmission were of two types: Class Ia and IIIa mutants were deficient for nuclear movement into daughter buds, while Class Ib and IIIb mutants displayed a complete transfer of all nuclear DNA into buds. The mutations defining all three allelic classes mapped to two distinct domains within the Mdm1p protein. Genetic crosses of yeast strains containing different mdm1 alleles revealed complex genetic interactions including intragenic suppression, synthetic phenotypes, and intragenic complementation. These results support a model of Mdm1p function in which a network comprised of multimeric assemblies of the protein mediates two distinct cellular processes.

  6. The Deubiquitinase USP17 Regulates the Stability and Nuclear Function of IL-33

    PubMed Central

    Ni, Yingmeng; Tao, Lianqin; Chen, Chen; Song, Huihui; Li, Zhiyuan; Gao, Yayi; Nie, Jia; Piccioni, Miranda; Shi, Guochao; Li, Bin

    2015-01-01

    IL-33 is a new member of the IL-1 family cytokines, which is expressed by different types of immune cells and non-immune cells. IL-33 is constitutively expressed in the nucleus, where it can act as a transcriptional regulator. So far, no direct target for nuclear IL-33 has been identified, and the regulation of IL-33 nuclear function remains largely unclear. Here, we report that the transcription of type 2 inflammatory cytokine IL-13 is positively regulated by nuclear IL-33. IL-33 can directly bind to the conserved non-coding sequence (CNS) before the translation initiation site in the IL13 gene locus. Moreover, IL-33 nuclear function and stability are regulated by the enzyme ubiquitin-specific protease 17 (USP17) through deubiquitination of IL-33 both at the K48 and at the K63 sites. Our data suggest that IL13 gene transcription can be directly activated by nuclear IL-33, which is negatively regulated by the deubiquitinase USP17. PMID:26610488

  7. Defects in nuclear structure and function promote dilated cardiomyopathy in lamin A/C–deficient mice

    PubMed Central

    Nikolova, Vesna; Leimena, Christiana; McMahon, Aisling C.; Tan, Ju Chiat; Chandar, Suchitra; Jogia, Dilesh; Kesteven, Scott H.; Michalicek, Jan; Otway, Robyn; Verheyen, Fons; Rainer, Stephen; Stewart, Colin L.; Martin, David; Feneley, Michael P.; Fatkin, Diane

    2004-01-01

    Laminopathies are a group of disorders caused by mutations in the LMNA gene that encodes the nuclear lamina proteins, lamin A and lamin C; their pathophysiological basis is unknown. We report that lamin A/C–deficient (Lmna–/–) mice develop rapidly progressive dilated cardiomyopathy (DCM) characterized by left ventricular (LV) dilation and reduced systolic contraction. Isolated Lmna–/– myocytes show reduced shortening with normal baseline and peak amplitude of Ca2+ transients. Lmna–/– LV myocyte nuclei have marked alterations of shape and size with central displacement and fragmentation of heterochromatin; these changes are present but less severe in left atrial nuclei. Electron microscopy of Lmna–/– cardiomyocytes shows disorganization and detachment of desmin filaments from the nuclear surface with progressive disruption of the cytoskeletal desmin network. Alterations in nuclear architecture are associated with defective nuclear function evidenced by decreased SREBP1 import, reduced PPARγ expression, and a lack of hypertrophic gene activation. These findings suggest a model in which the primary pathophysiological mechanism in Lmna–/– mice is defective force transmission resulting from disruption of lamin interactions with the muscle-specific desmin network and loss of cytoskeletal tension. Despite severe DCM, defects in nuclear function prevent Lmna–/– cardiomyocytes from developing compensatory hypertrophy and accelerate disease progression. PMID:14755333

  8. Building a Universal Nuclear Energy Density Functional (UNEDF): SciDAC-2 Project

    SciTech Connect

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

    2012-06-30

    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. 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; and third, to apply the validated theory to properties of interest that cannot be measured, in particular the properties needed for reaction theory.

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

    PubMed

    McAleavey, Stephen A

    2014-05-01

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

  10. Steering the Electron in H{sub 2}{sup +} by Nuclear Wave Packet Dynamics

    SciTech Connect

    Fischer, Bettina; Kremer, Manuel; Pfeifer, Thomas; Feuerstein, Bernold; Sharma, Vandana; Schroeter, Claus Dieter; Moshammer, Robert; Ullrich, Joachim; Thumm, Uwe

    2010-11-26

    By combining carrier-envelope phase (CEP) stable light fields and the traditional method of optical pump-probe spectroscopy we study electron localization in dissociating H{sub 2}{sup +} molecular ions. Localization and localizability of electrons is observed to strongly depend on the time delay between the two CEP-stable laser pulses with a characteristic periodicity corresponding to the oscillating molecular wave packet. Variation of the pump-probe delay time allows us to uncover the underlying physical mechanism for electron localization, which are two distinct sets of interfering dissociation channels that exhibit specific temporal signatures in their asymmetry response.

  11. Explicit schemes for time propagating many-body wave functions

    NASA Astrophysics Data System (ADS)

    Frapiccini, Ana Laura; Hamido, Aliou; Schröter, Sebastian; Pyke, Dean; Mota-Furtado, Francisca; O'Mahony, Patrick F.; Madroñero, Javier; Eiglsperger, Johannes; Piraux, Bernard

    2014-02-01

    Accurate theoretical data on many time-dependent processes in atomic and molecular physics and in chemistry require the direct numerical ab initio solution of the time-dependent Schrödinger equation, thereby motivating the development of very efficient time propagators. These usually involve the solution of very large systems of first-order differential equations that are characterized by a high degree of stiffness. In this contribution, we analyze and compare the performance of the explicit one-step algorithms of Fatunla and Arnoldi. Both algorithms have exactly the same stability function, therefore sharing the same stability properties that turn out to be optimum. Their respective accuracy, however, differs significantly and depends on the physical situation involved. In order to test this accuracy, we use a predictor-corrector scheme in which the predictor is either Fatunla's or Arnoldi's algorithm and the corrector, a fully implicit four-stage Radau IIA method of order 7. In this contribution, we consider two physical processes. The first one is the ionization of an atomic system by a short and intense electromagnetic pulse; the atomic systems include a one-dimensional Gaussian model potential as well as atomic hydrogen and helium, both in full dimensionality. The second process is the decoherence of two-electron quantum states when a time-independent perturbation is applied to a planar two-electron quantum dot where both electrons are confined in an anharmonic potential. Even though the Hamiltonian of this system is time independent the corresponding differential equation shows a striking stiffness which makes the time integration extremely difficult. In the case of the one-dimensional Gaussian potential we discuss in detail the possibility of monitoring the time step for both explicit algorithms. In the other physical situations that are much more demanding in term of computations, we show that the accuracy of both algorithms depends strongly on the degree

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

    ERIC Educational Resources Information Center

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

    2013-01-01

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

  13. Orbital and Total Atomic Momentum Expectation Values with Roothaan-Hartree-Fock Wave Functions

    NASA Astrophysics Data System (ADS)

    García de la Vega, J. M.; Miguel, B.

    1993-05-01

    Orbital and total momentum expectation values are computed using the Roothaan-Hartree-Fock wave functions of Clementi and Roetti. These values are calculated analytically and may be used to study the quality of basis sets. Tabulations for ground and excited states of atoms from Z = 2 to Z = 54 are presented.

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

    EPA Science Inventory

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

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

    SciTech Connect

    Haven, Emmanuel

    2009-03-10

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

  16. Alternative Form of the Hydrogenic Wave Functions for an Extended, Uniformly Charged Nucleus.

    ERIC Educational Resources Information Center

    Ley-Koo, E.; And Others

    1980-01-01

    Presented are forms of harmonic oscillator attraction and Coulomb wave functions which can be explicitly constructed and which lead to numerical results for the energy eigenvalues and eigenfunctions of the atomic system. The Schrodinger equation and its solution and specific cases of muonic atoms illustrating numerical calculations are included.…

  17. Nonlinear waves in lattice materials: Adaptively augmented directivity and functionality enhancement by modal mixing

    NASA Astrophysics Data System (ADS)

    Ganesh, R.; Gonella, S.

    2017-02-01

    The motive of this work is to understand the complex spatial characteristics of finite-amplitude elastic wave propagation in periodic structures and leverage the unique opportunities offered by nonlinearity to activate complementary functionalities and design adaptive spatial wave manipulators. The underlying assumption is that the magnitude of wave propagation is small with respect to the length scale of the structure under consideration, albeit large enough to elicit the effects of finite deformation. We demonstrate that the interplay of dispersion, nonlinearity and modal complexity involved in the generation and propagation of higher harmonics gives rise to secondary wave packets that feature multiple characteristics, one of which conforms to the dispersion relation of the corresponding linear structure. This provides an opportunity to engineer desired wave characteristics through a geometric and topological design of the unit cell, and results in the ability to activate complementary functionalities, typical of high frequency regimes, while operating at low frequencies of excitation - an effect seldom observed in linear periodic structures. The ability to design adaptive switches is demonstrated here using lattice configurations whose response is characterized by geometric and/or material nonlinearities.

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

    PubMed

    Lorenz, U; Saalfrank, P

    2014-01-28

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

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

    SciTech Connect

    Lorenz, U.; Saalfrank, P.

    2014-01-28

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

  20. Three-Body Wave Functions in the Continuum: Application to the Repulsive Coulomb Case

    NASA Astrophysics Data System (ADS)

    Garrido, E.; Kievsky, A.; Viviani, M.

    2017-03-01

    In this work we describe a method that permits to obtain full three-body continuum wave functions regardless the short- or long-range character of the two-body potentials involved. Within this method all the possible incoming channels are automatically taken into account. When applied to systems where only the repulsive Coulomb interaction enters the method provides the corresponding regular three-body Coulomb functions, from which their irregular partners can be obtained.

  1. Universal Probability Distribution for the Wave Function of a Quantum System Entangled with its Environment

    NASA Astrophysics Data System (ADS)

    Goldstein, Sheldon; Lebowitz, Joel L.; Mastrodonato, Christian; Tumulka, Roderich; Zanghì, Nino

    2016-03-01

    A quantum system (with Hilbert space {H}1) entangled with its environment (with Hilbert space {H}2) is usually not attributed to a wave function but only to a reduced density matrix {ρ1}. Nevertheless, there is a precise way of attributing to it a random wave function {ψ1}, called its conditional wave function, whose probability distribution {μ1} depends on the entangled wave function {ψ in H1 ⊗ H2} in the Hilbert space of system and environment together. It also depends on a choice of orthonormal basis of H2 but in relevant cases, as we show, not very much. We prove several universality (or typicality) results about {μ1}, e.g., that if the environment is sufficiently large then for every orthonormal basis of H2, most entangled states {ψ} with given reduced density matrix {ρ1} are such that {μ1} is close to one of the so-called GAP (Gaussian adjusted projected) measures, {GAP(ρ1)}. We also show that, for most entangled states {ψ} from a microcanonical subspace (spanned by the eigenvectors of the Hamiltonian with energies in a narrow interval {[E, E+ δ E]}) and most orthonormal bases of H2, {μ1} is close to {GAP({tr}2 ρ_{mc})} with {ρ_{mc}} the normalized projection to the microcanonical subspace. In particular, if the coupling between the system and the environment is weak, then {μ1} is close to {GAP(ρ_β)} with {ρ_β} the canonical density matrix on H1 at inverse temperature {β=β(E)}. This provides the mathematical justification of our claim in Goldstein et al. (J Stat Phys 125: 1193-1221, 2006) that GAP measures describe the thermal equilibrium distribution of the wave function.

  2. Density Functional Study of the Transport and Electronic Properties of Waved Graphene Nanoribbons

    NASA Astrophysics Data System (ADS)

    Hammouri, Mahmoud; Vasiliev, Igor

    2015-03-01

    First principles ab initio calculations are employed to study the electronic and transport properties of waved graphene nanoribbons. Our calculations are performed using the SIESTA and TRANSIESTA density functional electronic structure codes. We find that the band gaps of graphene nanoribbons with symmetrical edges change very slightly with the increasing compression, whereas the band gaps of nanoribbons with asymmetrical edges change significantly. The computed IV-characteristics of the waved graphene nanoribbons with different compression ratios reveal the effect of compression on the transport properties of graphene nanoribbons. Supported by NMSU GREG Award and by NSF CHE-1112388.

  3. Lamb wave Propagation in Functionally Graded Piezoelectric Material Created by Internal Temperature Gradient

    NASA Astrophysics Data System (ADS)

    Dammak, Y.; Thomas, J. H.; Ghozlen, M. H. Ben

    This work presents a theoretical study of the propagation behavior of lamb wave in a functionally graded piezoelectric material (FGPM). The piezoelectric material is polarized when the six fold symmetry axis is put along the propagation direction x1 and the material properties change gradually perpendicularly to the plate. The FGPM behavior is created by forming a temperature variation across the plate. The ordinary differential equation (ODE) and the Stiffness Matrix Method (SMM) are used to investigate the propagation of the lowest-order symmetric (S0) and antisymmetric (A0) Lamb wave modes.

  4. Nuclear Fusion Within Extremely Dense Plasma Enhanced by Quantum Particle Waves

    NASA Astrophysics Data System (ADS)

    Miao, Feng; Zheng, Xianjun; Deng, Baiquan

    2015-05-01

    Quantum effects play an enhancement role in p-p chain reactions occurring within stars. Such an enhancement is quantified by a wave penetration factor that is proportional to the density of the participating fuel particles. This leads to an innovative theory for dense plasma, and its result shows good agreement with independent data derived from the solar energy output. An analysis of the first Z-pinch machine in mankind's history exhibiting neutron emission leads to a derived deuterium plasma beam density greater than that of water, with plasma velocities exceeding 10000 km/s. Fusion power could be achieved by the intersection of four such pinched plasma beams with powerful head-on collisions in their common focal region due to the beam and target enhanced reaction. supported by the Fund for the Construction of Graduate Degree of China (No. 2014XWD-S0805)

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

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

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

  6. Field representations in uniaxial bianisotropic-ferrite medium by cylindrical vector wave functions

    NASA Astrophysics Data System (ADS)

    Cheng, Dajun; Lin, Weigan; Zhao, Yushen

    1995-04-01

    The uniaxial bianisotropic-ferrite medium is a generalization of the well-studied magnetically biased ferrite and uniaxial material. It can be manufactured either by immersing randomly oriented short helices and Ω-shaped particles in a magnetically biased ferrite, or by arranging short conductive helices in a magnetized ferrite in a certain manner. It has potential applications in microwave technology, antenna design, and antireflection shielding. In the present consideration, based on the concept of characteristic waves and the method of angular spectral expansion, field representations in uniaxial bianisotropic-ferrite medium are developed. The analysis reveals the solutions of source-free Maxwell's equations for uniaxial bianisotropic-ferrite medium can be represented in sum-integral forms of the circular cylindrical vector wave functions. The addition theorem of vector wave functions for uniaxial bianisotropic-ferrite medium 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.

  7. Kinetic Alfvén wave and ion velocity distribution functions in the solar wind

    NASA Astrophysics Data System (ADS)

    Li, X.; Lu, Q.; Chen, Y.; Li, B.; Xia, L.

    2010-12-01

    Using 1D test particle simulations, the effect of a kinetic Alfvén wave on the velocity distribution function of protons in the collisionless solar wind is investigated. We first use linear Vlasov theory to obtain the property of a kinetic Alfvén wave numerically (the wave propagates in the direction almost perpendicular to the background magnetic field). We then numerically simulate how the wave will shape the proton velocity distribution function. It is found that Landau resonance may be able to generate two components in the initially Maxwellian proton velocity distribution function: a tenuous beam component along the direction of the background magnetic field and a core component. The streaming speed of the beam relative to the core proton component is about 1.2 -- 1.3 Alfvén speed. However, no perpendicular ion heating is observed from the simulation. Reference: Li, X., Lu, Q.M., Chen, Y., Li, B., Xia, L.D., ApJ, 719, L190, 2010.

  8. Regulation of skeletal muscle mitochondrial function by nuclear receptors: implications for health and disease.

    PubMed

    Perez-Schindler, Joaquin; Philp, Andrew

    2015-10-01

    Skeletal muscle metabolism is highly dependent on mitochondrial function, with impaired mitochondrial biogenesis associated with the development of metabolic diseases such as insulin resistance and type 2 diabetes. Mitochondria display substantial plasticity in skeletal muscle, and are highly sensitive to levels of physical activity. It is thought that physical activity promotes mitochondrial biogenesis in skeletal muscle through increased expression of genes encoded in both the nuclear and the mitochondrial genome; however, how this process is co-ordinated at the cellular level is poorly understood. Nuclear receptors (NRs) are key signalling proteins capable of integrating environmental factors and mitochondrial function, thereby providing a potential link between exercise and mitochondrial biogenesis. The aim of this review is to highlight the function of NRs in skeletal muscle mitochondrial biogenesis and discuss the therapeutic potential of NRs for the management and treatment of chronic metabolic disease.

  9. Continuous wave superconducting radio frequency electron linac for nuclear physics research

    NASA Astrophysics Data System (ADS)

    Reece, Charles E.

    2016-12-01

    CEBAF, the Continuous Electron Beam Accelerator Facility, has been actively serving the nuclear physics research community as a unique forefront international resource since 1995. This cw electron linear accelerator (linac) at the U.S. Department of Energy's Thomas Jefferson National Accelerator Facility (Jefferson Lab) has continued to evolve as a precision tool for discerning the structure and dynamics within nuclei. Superconducting rf (SRF) technology has been the essential foundation for CEBAF, first as a 4 GeV machine, then 6 GeV, and currently capable of 12 GeV. We review the development, implementation, and performance of SRF systems for CEBAF from its early beginnings to the commissioning of the 12 GeV era.

  10. Integrating complex functions: coordination of nuclear pore complex assembly and membrane expansion of the nuclear envelope requires a family of integral membrane proteins.

    PubMed

    Schneiter, Roger; Cole, Charles N

    2010-01-01

    The nuclear envelope harbors numerous large proteinaceous channels, the nuclear pore complexes (NPCs), through which macromolecular exchange between the cytosol and the nucleoplasm occurs. This double-membrane nuclear envelope is continuous with the endoplasmic reticulum and thus functionally connected to such diverse processes as vesicular transport, protein maturation and lipid synthesis. Recent results obtained from studies in Saccharomyces cerevisiae indicate that assembly of the nuclear pore complex is functionally dependent upon maintenance of lipid homeostasis of the ER membrane. Previous work from one of our laboratories has revealed that an integral membrane protein Apq12 is important for the assembly of functional nuclear pores. Cells lacking APQ12 are viable but cannot grow at low temperatures, have aberrant NPCs and a defect in mRNA export. Remarkably, these defects in NPC assembly can be overcome by supplementing cells with a membrane fluidizing agent, benzyl alcohol, suggesting that Apq12 impacts the flexibility of the nuclear membrane, possibly by adjusting its lipid composition when cells are shifted to a reduced temperature. Our new study now expands these findings and reveals that an essential membrane protein, Brr6, shares at least partially overlapping functions with Apq12 and is also required for assembly of functional NPCs. A third nuclear envelope membrane protein, Brl1, is related to Brr6, and is also required for NPC assembly. Because maintenance of membrane homeostasis is essential for cellular survival, the fact that these three proteins are conserved in fungi that undergo closed mitoses, but are not found in metazoans or plants, may indicate that their functions are performed by proteins unrelated at the primary sequence level to Brr6, Brl1 and Apq12 in cells that disassemble their nuclear envelopes during mitosis.

  11. The nuclear pore complex--structure and function at a glance.

    PubMed

    Kabachinski, Greg; Schwartz, Thomas U

    2015-02-01

    Nuclear pore complexes (NPCs) are indispensable for cell function and are at the center of several human diseases. NPCs provide access to the nucleus and regulate the transport of proteins and RNA across the nuclear envelope. They are aqueous channels generated from a complex network of evolutionarily conserved proteins known as nucleporins. In this Cell Science at a Glance article and the accompanying poster, we discuss how transport between the nucleoplasm and the cytoplasm is regulated, what we currently know about the structure of individual nucleoporins and the assembled NPC, and how the cell regulates assembly and disassembly of such a massive structure. Our aim is to provide a general overview on what we currently know about the nuclear pore and point out directions of research this area is heading to.

  12. Functional process descriptions for the program to develop the Nuclear Waste Management System

    SciTech Connect

    Woods, T.W.

    1991-09-01

    The Office of Civilian Radioactive Waste Management (OCRWM) is executing a plan for improvement of the systems implemented to carry out its responsibilities under the Nuclear Waste Policy Act of 1982 (NWPA). As part of the plan, OCRWM is performing a systems engineering analysis of both the physical system, i.e., the Nuclear Waste Management System (NWMS), and the programmatic functions that must be accomplished to bring the physical system into being. The purpose of the program analysis is to provide a systematic identification and definition of all program functions, functional process flows, and function products necessary and sufficient to provide the physical system. The analysis resulting from this approach provides a basis for development of a comprehensive and integrated set of policies, standard practices, and procedures for the effective and efficient execution of the program. Thus, this analysis will form a basis for revising current OCRWM policies and procedures, or developing new ones is necessary. The primary purposes of this report are as follows: (1) summarizes the major functional processes and process flows that have been developed as a part of the program analysis, and (2) provide an introduction and assistance in understanding the detailed analysis information contained in the three volume report titled The Analysis of the Program to Develop the Nuclear Waste Management System (Woods 1991a).

  13. Identification of a functional, CRM-1-dependent nuclear export signal in hepatitis C virus core protein.

    PubMed

    Cerutti, Andrea; Maillard, Patrick; Minisini, Rosalba; Vidalain, Pierre-Olivier; Roohvand, Farzin; Pecheur, Eve-Isabelle; Pirisi, Mario; Budkowska, Agata

    2011-01-01

    Hepatitis C virus (HCV) infection is a major cause of chronic liver disease worldwide. HCV core protein is involved in nucleocapsid formation, but it also interacts with multiple cytoplasmic and nuclear molecules and plays a crucial role in the development of liver disease and hepatocarcinogenesis. The core protein is found mostly in the cytoplasm during HCV infection, but also in the nucleus in patients with hepatocarcinoma and in core-transgenic mice. HCV core contains nuclear localization signals (NLS), but no nuclear export signal (NES) has yet been identified.We show here that the aa(109-133) region directs the translocation of core from the nucleus to the cytoplasm by the CRM-1-mediated nuclear export pathway. Mutagenesis of the three hydrophobic residues (L119, I123 and L126) in the identified NES or in the sequence encoding the mature core aa(1-173) significantly enhanced the nuclear localisation of the corresponding proteins in transfected Huh7 cells. Both the NES and the adjacent hydrophobic sequence in domain II of core were required to maintain the core protein or its fragments in the cytoplasmic compartment. Electron microscopy studies of the JFH1 replication model demonstrated that core was translocated into the nucleus a few minutes after the virus entered the cell. The blockade of nucleocytoplasmic export by leptomycin B treatment early in infection led to the detection of core protein in the nucleus by confocal microscopy and coincided with a decrease in virus replication.Our data suggest that the functional NLS and NES direct HCV core protein shuttling between the cytoplasmic and nuclear compartments, with at least some core protein transported to the nucleus. These new properties of HCV core may be essential for virus multiplication and interaction with nuclear molecules, influence cell signaling and the pathogenesis of HCV infection.

  14. Functional and structural basis of the nuclear localization signal in the ZIC3 zinc finger domain

    PubMed Central

    Hatayama, Minoru; Tomizawa, Tadashi; Sakai-Kato, Kumiko; Bouvagnet, Patrice; Kose, Shingo; Imamoto, Naoko; Yokoyama, Shigeyuki; Utsunomiya-Tate, Naoko; Mikoshiba, Katsuhiko; Kigawa, Takanori; Aruga, Jun

    2008-01-01

    Disruptions in ZIC3 cause heterotaxy, a congenital anomaly of the left–right axis. ZIC3 encodes a nuclear protein with a zinc finger (ZF) domain that contains five tandem C2H2 ZF motifs. Missense mutations in the first ZF motif (ZF1) result in defective nuclear localization, which may underlie the pathogenesis of heterotaxy. Here we revealed the structural and functional basis of the nuclear localization signal (NLS) of ZIC3 and investigated its relationship to the defect caused by ZF1 mutation. The ZIC3 NLS was located in the ZF2 and ZF3 regions, rather than ZF1. Several basic residues interspersed throughout these regions were responsible for the nuclear localization, but R320, K337 and R350 were particularly important. NMR structure analysis revealed that ZF1–4 had a similar structure to GLI ZF, and the basic side chains of the NLS clustered together in two regions on the protein surface, similar to classical bipartite NLSs. Among the residues for the ZF1 mutations, C253 and H286 were positioned for the metal chelation, whereas W255 was positioned in the hydrophobic core formed by ZF1 and ZF2. Tryptophan 255 was a highly conserved inter-finger connector and formed part of a structural motif (tandem CXW-C-H-H) that is shared with GLI, Glis and some fungal ZF proteins. Furthermore, we found that knockdown of Karyopherin α1/α6 impaired ZIC3 nuclear localization, and physical interactions between the NLS and the nuclear import adapter proteins were disturbed by mutations in the NLS but not by W255G. These results indicate that ZIC3 is imported into the cell nucleus by the Karyopherin (Importin) system and that the impaired nuclear localization by the ZF1 mutation is not due to a direct influence on the NLS. PMID:18716025

  15. Multinucleon short-range correlation model for nuclear spectral functions: Theoretical framework

    NASA Astrophysics Data System (ADS)

    Artiles, Oswaldo; Sargsian, Misak M.

    2016-12-01

    We develop a theoretical approach for nuclear spectral functions at high missing momenta and removal energies based on the multinucleon short-range correlation (SRC) model. The approach is based on the effective Feynman diagrammatic method which allows us to account for the relativistic effects important in the SRC domain. In addition to two-nucleon (2N) SRC with center of mass motion we also derive the contribution of three-nucleon SRCs to the nuclear spectral functions. The latter is modeled based on the assumption that 3N SRCs are a product of two sequential short-range nucleon-nucleon (NN) interactions. This approach allows us to express the 3N SRC part of the nuclear spectral function as a convolution of two NN SRCs. Thus the knowledge of 2N SRCs allows us to model both two- and three-nucleon SRC contributions to the spectral function. The derivations of the spectral functions are based on two theoretical frameworks for evaluating covariant Feynman diagrams: In the first, referred to as virtual nucleon approximation, we reduce Feynman diagrams to the time ordered noncovariant diagrams by evaluating nucleon spectators in the SRC at their positive energy poles, neglecting explicitly the contribution from vacuum diagrams. In the second approach, referred to as light-front approximation, we formulate the boost invariant nuclear spectral function in the light-front reference frame in which case the vacuum diagrams are generally suppressed and the bound nucleon is described by its light-front variables such as momentum fraction, transverse momentum, and invariant mass.

  16. Functional issues and environmental qualification of digital protection systems of advanced light-water nuclear reactors

    SciTech Connect

    Korsah, K.; Clark, R.L.; Wood, R.T.

    1994-04-01

    Issues of obsolescence and lack of infrastructural support in (analog) spare parts, coupled with the potential benefits of digital systems, are driving the nuclear industry to retrofit analog instrumentation and control (I&C) systems with digital and microprocessor-based systems. While these technologies have several advantages, their application to safety-related systems in nuclear power plants raises key issues relating to the systems` environmental qualification and functional reliability. To bound the problem of new I&C system functionality and qualification, the authors focused this study on protection systems proposed for use in ALWRs. Specifically, both functional and environmental qualification issues for ALWR protection system I&C were addressed by developing an environmental, functional, and aging data template for a protection division of each proposed ALWR design. By using information provided by manufacturers, environmental conditions and stressors to which I&C equipment in reactor protection divisions may be subjected were identified. The resulting data were then compared to a similar template for an instrument string typically found in an analog protection division of a present-day nuclear power plant. The authors also identified fiber-optic transmission systems as technologies that are relatively new to the nuclear power plant environment and examined the failure modes and age-related degradation mechanisms of fiber-optic components and systems. One reason for the exercise of caution in the introduction of software into safety-critical systems is the potential for common-cause failure due to the software. This study, however, approaches the functionality problem from a systems point of view. System malfunction scenarios are postulated to illustrate the fact that, when dealing with the performance of the overall integrated system, the real issues are functionality and fault tolerance, not hardware vs. software.

  17. CTCF modulates Estrogen Receptor function through specific chromatin and nuclear matrix interactions

    PubMed Central

    Fiorito, Elisa; Sharma, Yogita; Gilfillan, Siv; Wang, Shixiong; Singh, Sachin Kumar; Satheesh, Somisetty V.; Katika, Madhumohan R.; Urbanucci, Alfonso; Thiede, Bernd; Mills, Ian G.; Hurtado, Antoni

    2016-01-01

    Enhancer regions and transcription start sites of estrogen-target regulated genes are connected by means of Estrogen Receptor long-range chromatin interactions. Yet, the complete molecular mechanisms controlling the transcriptional output of engaged enhancers and subsequent activation of coding genes remain elusive. Here, we report that CTCF binding to enhancer RNAs is enriched when breast cancer cells are stimulated with estrogen. CTCF binding to enhancer regions results in modulation of estrogen-induced gene transcription by preventing Estrogen Receptor chromatin binding and by hindering the formation of additional enhancer-promoter ER looping. Furthermore, the depletion of CTCF facilitates the expression of target genes associated with cell division and increases the rate of breast cancer cell proliferation. We have also uncovered a genomic network connecting loci enriched in cell cycle regulator genes to nuclear lamina that mediates the CTCF function. The nuclear lamina and chromatin interactions are regulated by estrogen-ER. We have observed that the chromatin loops formed when cells are treated with estrogen establish contacts with the nuclear lamina. Once there, the portion of CTCF associated with the nuclear lamina interacts with enhancer regions, limiting the formation of ER loops and the induction of genes present in the loop. Collectively, our results reveal an important, unanticipated interplay between CTCF and nuclear lamina to control the transcription of ER target genes, which has great implications in the rate of growth of breast cancer cells. PMID:27638884

  18. Production of ABA responses requires both the nuclear and cytoplasmic functional involvement of PYR1.

    PubMed

    Park, EunJoo; Kim, Tae-Houn

    2017-02-26

    Abscisic acid (ABA) enhances stress tolerant responses in plants against unfavorable environmental conditions. In Arabidopsis, ABA promotes interactions between PYR/PYL/RCARs and PP2C, thereby allowing SnRK2s to phosphorylate downstream components required for the regulation of gene expression or for gating ion channels. Because PYR1 is known to localize to nucleus and cytoplasm it is a question whether nuclear or cytoplasmic PYR1 confer different functions to the ABA signaling pathway, as has been previously shown for regulatory proteins. In order to answer this question, transgenic lines expressing nuclear PYR1 were generated in an ABA insensitive mutant background. Enforced nuclear expression of PYR1 was examined by confocal microscopy and western blot analysis. Physiological analyses of the transgenic lines demonstrated that nuclear PYR1 is sufficient to generate ABA responses, such as, the inhibition of seed germination, root growth inhibition, the induction of gene expression, and stomatal closing movement. However, for the full recovery of ABA responses in the mutant background cytoplasmic PYR1 was required. The study suggests both nuclear and cytoplasmic PYR1 participate in the control of ABA signal transduction.

  19. Dynamical Green's function and an exact optical potential for electron-molecule scattering including nuclear dynamics

    NASA Astrophysics Data System (ADS)

    Brand, Joachim; Cederbaum, Lorenz S.; Meyer, Hans-Dieter

    1999-10-01

    We derive a rigorous optical potential for electron-molecule scattering including the effects of nuclear dynamics by extending the common many-body Green's function approach to optical potentials beyond the fixed-nuclei limit for molecular targets. Our formalism treats the projectile electron and the nuclear motion of the target molecule on the same footing whereby the dynamical optical potential rigorously accounts for the complex many-body nature of the scattering target. One central result of the present work is that the common fixed-nuclei optical potential is a valid adiabatic approximation to the dynamical optical potential even when projectile and nuclear motion are (nonadiabatically) coupled as long as the scattering energy is well below the electronic excitation thresholds of the target. For extremely low projectile velocities, however, when the cross sections are most sensitive to the scattering potential, we expect the influences of the nuclear dynamics on the optical potential to become relevant. For these cases, a systematic way to improve the adiabatic approximation to the dynamical optical potential is presented that yields nonlocal operators with respect to the nuclear coordinates.

  20. Acetylation of the SUN protein Mps3 by Eco1 regulates its function in nuclear organization

    PubMed Central

    Ghosh, Suman; Gardner, Jennifer M.; Smoyer, Christine J.; Friederichs, Jennifer M.; Unruh, Jay R.; Slaughter, Brian D.; Alexander, Richard; Chisholm, Robert D.; Lee, Kenneth K.; Workman, Jerry L.; Jaspersen, Sue L.

    2012-01-01

    The Saccharomyces cerevisiae SUN-domain protein Mps3 is required for duplication of the yeast centrosome-equivalent organelle, the spindle pole body (SPB), and it is involved in multiple aspects of nuclear organization, including telomere tethering and gene silencing at the nuclear membrane, establishment of sister chromatid cohesion, and repair of certain types of persistent DNA double-stranded breaks. How these diverse SUN protein functions are regulated is unknown. Here we show that the Mps3 N-terminus is a substrate for the acetyltransferase Eco1/Ctf7 in vitro and in vivo and map the sites of acetylation to three lysine residues adjacent to the Mps3 transmembrane domain. Mutation of these residues shows that acetylation is not essential for growth, SPB duplication, or distribution in the nuclear membrane. However, analysis of nonacetylatable mps3 mutants shows that this modification is required for accurate sister chromatid cohesion and for chromosome recruitment to the nuclear membrane. Acetylation of Mps3 by Eco1 is one of the few regulatory mechanisms known to control nuclear organization. PMID:22593213

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

    NASA Technical Reports Server (NTRS)

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

    2016-01-01

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

  2. Wave function of a microwave-driven Bose-Einstein magnon condensate

    SciTech Connect

    Rezende, Sergio M.

    2010-01-01

    It has been observed experimentally that a magnon gas in a film of yttrium-iron garnet at room temperature driven by a microwave field exhibits Bose-Einstein condensation (BEC) when the driving power exceeds a critical value. In a previous paper we presented a model for the dynamics of the magnon system in wave-vector space that provides firm theoretical support for the formation of the BEC. Here we show that the wave function of the magnon condensate in configuration space satisfies a Gross-Pitaevskii equation similarly to other BEC systems. The theory is consistent with the previous model in wave-vector space, and its results are in qualitative agreement with recent measurements of the spatial distribution of the magnon condensate driven by a nonuniform microwave field.

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

    PubMed Central

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

    2016-01-01

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

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

    SciTech Connect

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

    2015-08-15

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

  5. The Uniqueness of Single Data Function, Multiple Model Functions, Inverse Problems Including the Rayleigh Wave Dispersion Problem

    NASA Astrophysics Data System (ADS)

    Menke, William

    2017-02-01

    We prove that the problem of inverting Rayleigh wave phase velocity functions c( k ) , where k is wavenumber, for density ρ ( z ) , rigidity μ ( z ) and Lamé parameter λ ( z ) , where z is depth, is fully non-unique, at least in the highly-idealized case where the base Earth model is an isotropic half space. The model functions completely trade off. This is one special case of a common inversion scenario in which one seeks to determine several model functions from a single data function. We explore the circumstances under which this broad class of problems is unique, starting with very simple scenarios, building up to the somewhat more complicated (and common) case where data and model functions are related by convolutions, and then finally, to scale-independent problems (which include the Rayleigh wave problem). The idealized cases that we examine analytically provide insight into the kinds of nonuniqueness that are inherent in the much more complicated problems encountered in modern geophysical imaging (though they do not necessarily provide methods for solving those problems). We also define what is meant by a Backus and Gilbert resolution kernel in this kind of inversion and show under what circumstances a unique localized average of a single model function can be constructed.

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

    USGS Publications Warehouse

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

    2009-01-01

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

  7. The structure of continental crust: comparison of body wave apparent incidence angle and receiver function results

    NASA Astrophysics Data System (ADS)

    Cunningham, E. E.; Lekic, V.

    2015-12-01

    The dense coverage of the EarthScope USArray presents an unprecedented opportunity to systematically investigate the structure of the continental crust across different tectonic regimes. Receiver function analysis of body wave arrivals can isolate converted phases (Ps or Sp) produced across velocity discontinuities beneath a seismometer and constrain relative vertical density and seismic velocity variations. Analysis of receiver functions computed for stations across the footprint of the USArray can be used to constrain both the strength and topography of crustal interfaces. However, complications in receiver function analysis arise from trade-offs among compressional (Vp) and shear (Vs) wave velocity variations, as well as reverberations caused by sediment-dominated regions within the United States. We show that by measuring the apparent incidence angle of P waves - their relative amplitude on the vertical and radial components of the seismogram - computed for different time-windows, we can obtain an estimate of crustal Vs layering at each station. The calculated Vs estimate is in terms of absolute as opposed to relative velocity variations and is independent of Vp. Using synthetic waveforms, we quantify to what extent absolute velocity inferences obtained using the apparent-incidence angle method are affected by multiple reverberations in shallow layers. We then use both synthetics and data to evaluate the potential of the apparent incidence method for constraining anisotropy, and compare it to receiver functions. Finally, we compare and contrast results from receiver function and apparent incidence angle analyses in different tectonic settings across North America.

  8. The distribution of waves in the inner magnetosphere as a function of solar wind parameters

    NASA Astrophysics Data System (ADS)

    Aryan, Homayon; Balikhin, Michael A.; Agapitov, Oleksiy; Krasnoselskikh, Vladimir; Yearby, Keith

    Energetic electrons within the Earth’s radiation belts represent a serious hazard to geostationary satellites. The interactions of electrons with chorus waves play an important role in both the acceleration and loss of radiation belt electrons. Studies of the evolution of energetic electron fluxes rely heavily on numerical codes in order to model energy and pitch angle diffusion due to electron interaction with plasma waves in the frame of quasilinear approximation. Application of these codes requires knowledge of statistical wave models to present wave distributions in the magnetosphere. A number of such models are based on CRESS, Cluster, THEMIS and other mission data. These models present wave distributions as a function of L-shell, magnetic local time, magnetic latitude and geomagnetic activity expressed by geomagnetic indices (Kp or Ae). However, it has been shown by G. Reeves and co-authors that only 50% of geomagnetic storms increase flux of relativistic electrons at GEO while 20% cause a decrease. This emphasizes the importance of including solar wind parameters in addition to geomagnetic indices. The present study examines almost four years (01, January, 2004 to 29, September, 2007) of STAFF (Spatio-Temporal Analysis of Field Fluctuation) data from Double Star TC1 combined with geomagnetic indices and solar wind parameters from OMNI database in order to present a comprehensive model of chorus wave intensities as a function of L-shell, magnetic local time, magnetic latitude, geomagnetic indices and solar wind parameters. The results show that chorus emission is not only sub-storm dependent but also dependent upon solar wind parameters with solar wind velocity evidently the most influential solar wind parameter. The largest peak intensities are observed for lower band chorus during active conditions, high solar wind velocity, low density and high pressure.

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

    NASA Astrophysics Data System (ADS)

    Hegde, Suraj S.; Vishveshwara, Smitha

    2016-09-01

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

  10. Distribution functions in plasmas generated by a volume source of fission fragments. [in nuclear pumped lasers

    NASA Technical Reports Server (NTRS)

    Deese, J. E.; Hassan, H. A.

    1979-01-01

    The role played by fission fragments and electron distribution functions in nuclear pumped lasers is considered and procedures for their calculations are outlined. The calculations are illustrated for a He-3/Xe mixture where fission is provided by the He-3(n,p)H-3 reaction. Because the dominant ion in the system depends on the Xe fraction, the distribution functions cannot be determined without the simultaneous consideration of a detailed kinetic model. As is the case for wall sources of fission fragments, the resulting plasmas are essentially thermal but the electron distribution functions are non-Maxwellian.

  11. Following dynamic nuclear wave packets in N{sub 2},O{sub 2}, and CO with few-cycle infrared pulses

    SciTech Connect

    De, S.; Magrakvelidze, M.; Bocharova, I. A.; Ray, D.; Cao, W.; Li, H.; Wang, Z.; Laurent, G.; Thumm, U.; Ben-Itzhak, I.; Cocke, C. L.; Znakovskaya, I.; Kling, M. F.; Litvinyuk, I. V.

    2011-10-15

    We study the evolution of nuclear wave packets launched in molecular nitrogen, oxygen, and carbon monoxide by intense 8-fs infrared pulses. We use velocity map imaging to measure the momentum of the ion fragments when these wave packets are interrogated by a second such pulse after a variable time delay. Both quasibound and dissociative wave packets are observed. For the former, measurements of bound-state oscillations are used to identify the participating states and, in some cases, extract properties of the relevant potential-energy surfaces. Vibrational structure is resolved in both energy and oscillation frequencies for the cations of oxygen and carbon monoxide, displaying the same quantum wave-packet motion in both energy and time domains. In addition, vibrational structure is seen in the dication of carbon monoxide in a situation where the energy resolution by itself is inadequate to resolve the structure.

  12. Complex-energy approach to sum rules within nuclear density functional theory

    DOE PAGES

    Hinohara, Nobuo; Kortelainen, Markus; Nazarewicz, Witold; ...

    2015-04-27

    The linear response of the nucleus to an external field contains unique information about the effective interaction, correlations governing the behavior of the many-body system, and properties of its excited states. To characterize the response, it is useful to use its energy-weighted moments, or sum rules. By comparing computed sum rules with experimental values, the information content of the response can be utilized in the optimization process of the nuclear Hamiltonian or nuclear energy density functional (EDF). But the additional information comes at a price: compared to the ground state, computation of excited states is more demanding. To establish anmore » efficient framework to compute energy-weighted sum rules of the response that is adaptable to the optimization of the nuclear EDF and large-scale surveys of collective strength, we have developed a new technique within the complex-energy finite-amplitude method (FAM) based on the quasiparticle random- phase approximation. The proposed sum-rule technique based on the complex-energy FAM is a tool of choice when optimizing effective interactions or energy functionals. The method is very efficient and well-adaptable to parallel computing. As a result, the FAM formulation is especially useful when standard theorems based on commutation relations involving the nuclear Hamiltonian and external field cannot be used.« less

  13. Spin-dependent structure functions in nuclear matter and the polarized EMC effect

    SciTech Connect

    I.C. Cloet; W. Bentz; A.W. Thomas

    2005-04-01

    An excellent description of both spin-independent and spin-dependent quark distributions and structure functions has been obtained with a modified Nambu-Jona-Lasinio model, which is free of unphysical thresholds for nucleon decay into quarks--hence incorporating an important aspect of confinement. We utilize this model to investigate nuclear medium modifications to structure functions, and find that we are readily able to reproduce both nuclear matter saturation and the experimental F{sub 2N}{sup A}/F{sub 2N} ratio, that is, the EMC effect. Applying this framework to determine g{sub 1p}{sup A}, we find that the ratio g{sub 1p}{sup A}/g{sub 1p} differs significantly from 1, with the quenching caused by the nuclear medium being about twice that of the spin-independent case. This represents an exciting result, which if confirmed experimentally, will reveal much about the quark structure of nuclear matter.

  14. Complex-energy approach to sum rules within nuclear density functional theory

    SciTech Connect

    Hinohara, Nobuo; Kortelainen, Markus; Nazarewicz, Witold; Olsen, Erik

    2015-04-27

    The linear response of the nucleus to an external field contains unique information about the effective interaction, correlations governing the behavior of the many-body system, and properties of its excited states. To characterize the response, it is useful to use its energy-weighted moments, or sum rules. By comparing computed sum rules with experimental values, the information content of the response can be utilized in the optimization process of the nuclear Hamiltonian or nuclear energy density functional (EDF). But the additional information comes at a price: compared to the ground state, computation of excited states is more demanding. To establish an efficient framework to compute energy-weighted sum rules of the response that is adaptable to the optimization of the nuclear EDF and large-scale surveys of collective strength, we have developed a new technique within the complex-energy finite-amplitude method (FAM) based on the quasiparticle random- phase approximation. The proposed sum-rule technique based on the complex-energy FAM is a tool of choice when optimizing effective interactions or energy functionals. The method is very efficient and well-adaptable to parallel computing. As a result, the FAM formulation is especially useful when standard theorems based on commutation relations involving the nuclear Hamiltonian and external field cannot be used.

  15. Comparative proteomic analyses of the nuclear envelope and pore complex suggests a wide range of heretofore unexpected functions.

    PubMed

    Batrakou, Dzmitry G; Kerr, Alastair R W; Schirmer, Eric C

    2009-02-15

    Since the discovery of several inherited diseases linked to the nuclear envelope the number of functions ascribed to this subcellular organelle has skyrocketed. However the molecular pathways underlying these functions are not clear in most cases, perhaps because of missing components. Several recent proteomic analyses of the nuclear envelope and nuclear pore complex proteomes have yielded not only enough missing components to potentially elucidate these pathways, but suggest an exponentially greater number of functions at the nuclear periphery than ever imagined. Many of these functions appear to derive from recapitulation of pathways utilized at the plasma membrane and from other membrane systems. Additionally, many proteins identified in the comparative nuclear envelope studies have sequence characteristics suggesting that they might also contribute to nuclear pore complex functions. In particular, the striking enrichment for proteins in the nuclear envelope fractions that carry phenylalanine-glycine (FG) repeats may be significant for the mechanism of nuclear transport. In retrospect, these findings are only surprising in context of the notion held for many years that the nuclear envelope was only a barrier protecting the genome. In fact, it is arguably the most complex membrane organelle in the cell.

  16. Nuclear pore proteins are involved in the biogenesis of functional tRNA.

    PubMed Central

    Simos, G; Tekotte, H; Grosjean, H; Segref, A; Sharma, K; Tollervey, D; Hurt, E C

    1996-01-01

    Los1p and Pus1p, which are involved in tRNA biogenesis, were found in a genetic screen for components interacting with the nuclear pore protein Nsp1p. LOS1, PUS1 and NSP1 interact functionally, since the combination of mutations in the three genes causes synthetic lethality. Pus1p is an intranuclear protein which exhibits a nucleotide-specific and intron-dependent tRNA pseudouridine synthase activity. Los1p was shown previously to be required for efficient pre-tRNA splicing; we report here that Los1p localizes to the nuclear pores and is linked functionally to several components of the tRNA biogenesis machinery including Pus1p and Tfc4p. When the formation of functional tRNA was analyzed by an in vivo assay, the los1(-) pus1(-) double mutant, as well as several thermosensitive nucleoporin mutants including nsp1, nup116, nup133 and nup85, exhibited loss of suppressor tRNA activity even at permissive temperatures. These data suggest that nuclear pore proteins are required for the biogenesis of functional tRNA. Images PMID:8641292

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

    SciTech Connect

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

    2015-07-31

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

  18. The N-terminal nuclear localization sequences of liver X receptors alpha and beta bind to importin alpha and are essential for both nuclear import and transactivating functions.

    PubMed

    Miller, Anna; Crumbley, Christine; Prüfer, Kirsten

    2009-04-01

    Liver X receptors (LXRs) alpha and beta are nuclear receptors, which form obligate heterodimers with the retinoid X receptor (RXR). The LXRs regulate both redundantly and non-redundantly the transcription of genes controlling cholesterol metabolism and transport as well as lipogenesis. Previously, we showed that mutations in putative N-terminal nuclear localization sequences (NLSs) within both LXRs inhibit nuclear import. Through in vitro studies, we show here that these NLSs bind importin alpha and are both necessary and sufficient for the nuclear import of LXRs. Imaging, transactivation, and electro-mobility shift experiments show that RXR rescues the nuclear import of the LXRalpha NLS mutant yet does not restore its transcriptional activity despite intact DNA binding. In contrast, RXR partially rescues the import of the LXRbeta NLS mutant, but has no effect on its transcriptional activity due to the loss of DNA binding. Experiments with NLS mutant RXR confirmed that RXR may dominate the nuclear import of the RXR/LXRalpha heterodimer, whereas LXRbeta dominates the nuclear import of the RXR/LXRbeta heterodimer. Intriguingly, our data indicate differences between LXRalpha and LXRbeta in their interaction with RXR and in the role their NLSs play in transactivating functions independent of nuclear import.

  19. The Transfer Function Model (TFM) as a Tool for Simulating Gravity Wave Phenomena in the Mesosphere

    NASA Astrophysics Data System (ADS)

    Porter, H.; Mayr, H.; Moore, J.; Wilson, S.; Armaly, A.

    2008-12-01

    The Transfer Function Model (TFM) is semi-analytical and linear, and it is designed to describe the acoustic gravity waves (GW) propagating over the globe and from the ground to 600 km under the influence of vertical temperature variations. Wave interactions with the flow are not accounted for. With an expansion in terms of frequency-dependent spherical harmonics, the time consuming vertical integration of the conservation equations is reduced to computing the transfer function (TF). (The applied lower and upper boundary conditions assure that spurious wave reflections will not occur.) The TF describes the dynamical properties of the medium divorced from the complexities of the temporal and horizontal variations of the excitation source. Given the TF, the atmospheric response to a chosen source is then obtained in short order to simulate the GW propagating through the atmosphere over the globe. In the past, this model has been applied to study auroral processes, which produce distinct wave phenomena such as: (1) standing lamb modes that propagate horizontally in the viscous medium of the thermosphere, (2) waves generated in the auroral oval that experience geometric amplification propagating to the pole where constructive interference generates secondary waves that propagate equatorward, (3) ducted modes propagating through the middle atmosphere that leak back into the thermosphere, and (4) GWs reflected from the Earth's surface that reach the thermosphere in a narrow propagation cone. Well-defined spectral features characterize these wave modes in the TF to provide analytical understanding. We propose the TFM as a tool for simulating GW in the mesosphere and in particular the features observed in Polar Mesospheric Clouds (PMC). With present-day computers, it takes less than one hour to compute the TF, so that there is virtually no practical limitation on the source configurations that can be applied and tested in the lower atmosphere. And there is no limitation on

  20. Functional coupling between the extracellular matrix and nuclear lamina by Wnt signaling in progeria.

    PubMed

    Hernandez, Lidia; Roux, Kyle J; Wong, Esther Sook Miin; Mounkes, Leslie C; Mutalif, Rafidah; Navasankari, Raju; Rai, Bina; Cool, Simon; Jeong, Jae-Wook; Wang, Honghe; Lee, Hyun-Shik; Kozlov, Serguei; Grunert, Martin; Keeble, Thomas; Jones, C Michael; Meta, Margarita D; Young, Stephen G; Daar, Ira O; Burke, Brian; Perantoni, Alan O; Stewart, Colin L

    2010-09-14

    The segmental premature aging disease Hutchinson-Gilford Progeria (HGPS) is caused by a truncated and farnesylated form of Lamin A. In a mouse model for HGPS, a similar Lamin A variant causes the proliferative arrest and death of postnatal, but not embryonic, fibroblasts. Arrest is due to an inability to produce a functional extracellular matrix (ECM), because growth on normal ECM rescues proliferation. The defects are associated with inhibition of canonical Wnt signaling, due to reduced nuclear localization and transcriptional activity of Lef1, but not Tcf4, in both mouse and human progeric cells. Defective Wnt signaling, affecting ECM synthesis, may be critical to the etiology of HGPS because mice exhibit skeletal defects and apoptosis in major blood vessels proximal to the heart. These results establish a functional link between the nuclear envelope/lamina and the cell surface/ECM and may provide insights into the role of Wnt signaling and the ECM in aging.

  1. Nuclear pore complex composition: a new regulator of tissue-specific and developmental functions.

    PubMed

    Raices, Marcela; D'Angelo, Maximiliano A

    2012-11-01

    Nuclear pore complexes (NPCs) are multiprotein aqueous channels that penetrate the nuclear envelope connecting the nucleus and the cytoplasm. NPCs consist of multiple copies of roughly 30 different proteins known as nucleoporins (NUPs). Due to their essential role in controlling nucleocytoplasmic transport, NPCs have traditionally been considered as structures of ubiquitous composition. The overall structure of the NPC is indeed conserved in all cells, but new evidence suggests that the protein composition of NPCs varies among cell types and tissues. Moreover, mutations in various nucleoporins result in tissue-specific diseases. These findings point towards a heterogeneity in NPC composition and function. This unexpected heterogeneity suggests that cells use a combination of different nucleoporins to assemble NPCs with distinct properties and specialized functions.

  2. Time-Domain Source Function (TDSF) for Nuclear and Chemical Explosions - Analysis around Nevada National Security Site (NNSS)

    NASA Astrophysics Data System (ADS)

    Saikia, Chandan K.

    2017-02-01

    Displacement spectra from accelerograms recorded within a few kilometers (< 3.5 km) of nuclear and chemical explosion shot points indicate that the amplitude spectral level is not flat below the source corner frequency (fc), but increases gradually towards zero frequency. During an explosion, the volume in the immediate vicinity of the shot point is inelastic. In this paper, we develop a time-domain expression for the deformation at the elastic boundary limit of this volume, which in the frequency domain supports this observation. We refer to this expression as the time-domain source function (TDSF) of an explosion. The proposed TDSF has two terms, the first term representing a ”static" contribution and the second term a "dynamic" contribution to the total deformation field. The static contribution dominates over the dynamic contribution at frequencies below fc and causes the gradual increase in the spectral level. For the low-yield under/or over-buried explosions (yield < 5 Kt), fc is relatively high and this increase in spectral amplitude is pronouncedly observed. The correct interpretation of the observed spectral amplitudes below fc can, therefore, play a crucial role in estimating source parameters of explosions. For f > fc, the dynamic contributions dominate and decay approximately as f-2. For seismic waves propagating from the boundary Rel (a transition limit of the non-linear to the elastic zone) to large distances, the static and the dynamic wavefields are affected identically by attenuation and spreading. Hence, the attenuation corrected large distance explosion spectra should exhibit these spectral characteristics. An analysis of the regional P-wave spectra from a few low-yield explosions provides evidence for this finding and also for the yield scaling by a factor of 2 between the nuclear and chemical explosions, especially for similar emplacement conditions. We also illustrate that when convolved with a time function [exp (-C/Rel)H(t), where C is the

  3. Sensory Function: Insights From Wave 2 of the National Social Life, Health, and Aging Project

    PubMed Central

    Kern, David W.; Wroblewski, Kristen E.; Chen, Rachel C.; Schumm, L. Philip; McClintock, Martha K.

    2014-01-01

    Objectives. Sensory function, a critical component of quality of life, generally declines with age and influences health, physical activity, and social function. Sensory measures collected in Wave 2 of the National Social Life, Health, and Aging Project (NSHAP) survey focused on the personal impact of sensory function in the home environment and included: subjective assessment of vision, hearing, and touch, information on relevant home conditions and social sequelae as well as an improved objective assessment of odor detection. Method. Summary data were generated for each sensory category, stratified by age (62–90 years of age) and gender, with a focus on function in the home setting and the social consequences of sensory decrements in each modality. Results. Among both men and women, older age was associated with self-reported impairment of vision, hearing, and pleasantness of light touch. Compared with women, men reported significantly worse hearing and found light touch less appealing. There were no gender differences for vision. Overall, hearing loss seemed to have a greater impact on social function than did visual impairment. Discussion. Sensory function declines across age groups, with notable gender differences for hearing and light touch. Further analysis of sensory measures from NSHAP Wave 2 may provide important information on how sensory declines are related to health, social function, quality of life, morbidity, and mortality in this nationally representative sample of older adults. PMID:25360015

  4. Two Paradigmatic Waves of Public Discourse on Nuclear Waste in the United States, 1945-2009: Understanding a Magnitudinal and Longitudinal Phenomenon in Anthropological Terms

    PubMed Central

    Pajo, Judi

    2016-01-01

    This project set out to illuminate the discursive existence of nuclear waste in American culture. Given the significant temporal dimension of the phenomenon as well as the challenging size of the United States setting, the project adapted key methodological elements of the sociocultural anthropology tradition and produced proxies for ethnographic fieldnotes and key informant interviews through sampling the digital archives of the New York Times over a 64-year period that starts with the first recorded occurrence of the notion of nuclear waste and ends with the conclusion of the presidency of George W. Bush. Two paradigmatic waves of American public discourse on nuclear waste come to light when subjecting this empirical data to quantitative inventorying and interpretive analysis: between 1945 and 1969 nuclear waste was generally framed in light of the beneficial utilizations of nuclear reactions and with optimistic expectations for a scientific/technological solution; by contrast, between 1969 and 2009 nuclear waste was conceptualized as inherited harm that could not be undone and contestation that required political/legal management. Besides this key finding and the empirical timing of the two paradigms, the study’s value lies also with its detailed empirical documentation of nuclear waste in its sociocultural existence. PMID:27310719

  5. Two Paradigmatic Waves of Public Discourse on Nuclear Waste in the United States, 1945-2009: Understanding a Magnitudinal and Longitudinal Phenomenon in Anthropological Terms.

    PubMed

    Pajo, Judi

    2016-01-01

    This project set out to illuminate the discursive existence of nuclear waste in American culture. Given the significant temporal dimension of the phenomenon as well as the challenging size of the United States setting, the project adapted key methodological elements of the sociocultural anthropology tradition and produced proxies for ethnographic fieldnotes and key informant interviews through sampling the digital archives of the New York Times over a 64-year period that starts with the first recorded occurrence of the notion of nuclear waste and ends with the conclusion of the presidency of George W. Bush. Two paradigmatic waves of American public discourse on nuclear waste come to light when subjecting this empirical data to quantitative inventorying and interpretive analysis: between 1945 and 1969 nuclear waste was generally framed in light of the beneficial utilizations of nuclear reactions and with optimistic expectations for a scientific/technological solution; by contrast, between 1969 and 2009 nuclear waste was conceptualized as inherited harm that could not be undone and contestation that required political/legal management. Besides this key finding and the empirical timing of the two paradigms, the study's value lies also with its detailed empirical documentation of nuclear waste in its sociocultural existence.

  6. Travelling-wave Mach-Zehnder modulators functioning as optical isolators.

    PubMed

    Dong, Po

    2015-04-20

    On-chip optical isolators not requiring the use of magneto-optical materials has become a long-standing challenge in integrated optics. Here, we demonstrate that a traditional travelling-wave modulator can effectively function as an optical isolator, when driven under a prescribed modulation condition. By using an off-shelve lithium niobate modulator, we achieve more than 12.5 dB isolation over an 11.3-THz bandwidth at telecommunication wavelengths with a fiber-to-fiber insertion loss of 5.5 dB, by employing only a single radio-frequency drive signal. We also verify that the proposed active isolator can be functional in a laser system to effectively prevent instability due to strong back reflections. Since travelling-wave modulators are common devices in III-V and silicon photonics, our simple but efficient architecture may provide a practical solution to non-reciprocal light routing in photonic integrated circuits.

  7. Dynamical Quantum Phase Transitions: Role of Topological Nodes in Wave Function Overlaps

    NASA Astrophysics Data System (ADS)

    Huang, Zhoushen; Balatsky, Alexander V.

    2016-08-01

    A sudden quantum quench of a Bloch band from one topological phase toward another has been shown to exhibit an intimate connection with the notion of a dynamical quantum phase transition (DQPT), where the returning probability of the quenched state to the initial state—i.e., the Loschmidt echo—vanishes at critical times {t*}. Analytical results to date are limited to two-band models, leaving the exact relation between topology and DQPT unclear. In this Letter, we show that, for a general multiband system, a robust DQPT relies on the existence of nodes (i.e., zeros) in the wave function overlap between the initial band and the postquench energy eigenstates. These nodes are topologically protected if the two participating wave functions have distinctive topological indices. We demonstrate these ideas in detail for both one and two spatial dimensions using a three-band generalized Hofstadter model. We also discuss possible experimental observations.

  8. Probing wave function collapse models with a classically driven mechanical oscillator

    NASA Astrophysics Data System (ADS)

    Ho, Melvyn; Lafont, Ambroise; Sangouard, Nicolas; Sekatski, Pavel

    2016-03-01

    We show that the interaction of a pulsed laser light with a mechanical oscillator through the radiation pressure results in an opto-mechanical entangled state in which the photon number is correlated with the oscillator position. Interestingly, the mechanical oscillator can be delocalized over a large range of positions when driven by an intense laser light. This provides a simple yet sensitive method to probe hypothetical post-quantum theories including an explicit wave function collapse model, like the Diosi & Penrose model. We propose an entanglement witness to reveal the quantum nature of this opto-mechanical state as well as an optical technique to record the decoherence of the mechanical oscillator. We also report on a detailed feasibility study giving the experimental challenges that need to be overcome in order to confirm or rule out predictions from explicit wave function collapse models.

  9. Measurements of ocean wave spectra and modulation transfer function with the airborne two frequency scatterometer

    NASA Technical Reports Server (NTRS)

    Weissman, D. E.; Johnson, J. W.

    1984-01-01

    The directional spectrum and the microwave modulation transfer function of ocean waves can be measured with the airborne two frequency scatterometer technique. Similar to tower based observations, the aircraft measurements of the Modulation Transfer Function (MTF) show that it is strongly affected by both wind speed and sea state. Also detected are small differences in the magnitudes of the MTF between downwind and upwind radar look directions, and variations with ocean wavenumber. The MTF inferred from the two frequency radar is larger than that measured using single frequency, wave orbital velocity techniques such as tower based radars or ROWS measurements from low altitude aircraft. Possible reasons for this are discussed. The ability to measure the ocean directional spectrum with the two frequency scatterometer, with supporting MTF data, is demonstrated.

  10. Dynamical Quantum Phase Transitions: Role of Topological Nodes in Wave Function Overlaps.

    PubMed

    Huang, Zhoushen; Balatsky, Alexander V

    2016-08-19

    A sudden quantum quench of a Bloch band from one topological phase toward another has been shown to exhibit an intimate connection with the notion of a dynamical quantum phase transition (DQPT), where the returning probability of the quenched state to the initial state-i.e., the Loschmidt echo-vanishes at critical times {t^{*}}. Analytical results to date are limited to two-band models, leaving the exact relation between topology and DQPT unclear. In this Letter, we show that, for a general multiband system, a robust DQPT relies on the existence of nodes (i.e., zeros) in the wave function overlap between the initial band and the postquench energy eigenstates. These nodes are topologically protected if the two participating wave functions have distinctive topological indices. We demonstrate these ideas in detail for both one and two spatial dimensions using a three-band generalized Hofstadter model. We also discuss possible experimental observations.

  11. A functional nuclear localization sequence in the C. elegans TRPV channel OCR-2.

    PubMed

    Ezak, Meredith J; Ferkey, Denise M

    2011-01-01

    The ability to modulate gene expression in response to sensory experience is critical to the normal development and function of the nervous system. Calcium is a key activator of the signal transduction cascades that mediate the process of translating a cellular stimulus into transcriptional changes. With the recent discovery that the mammalian Ca(v)1.2 calcium channel can be cleaved, enter the nucleus and act as a transcription factor to control neuronal gene expression, a more direct role for the calcium channels themselves in regulating transcription has begun to be appreciated. Here we report the identification of a nuclear localization sequence (NLS) in the C. elegans transient receptor potential vanilloid (TRPV) cation channel OCR-2. TRPV channels have previously been implicated in transcriptional regulation of neuronal genes in the nematode, although the precise mechanism remains unclear. We show that the NLS in OCR-2 is functional, being able to direct nuclear accumulation of a synthetic cargo protein as well as the carboxy-terminal cytosolic tail of OCR-2 where it is endogenously found. Furthermore, we discovered that a carboxy-terminal portion of the full-length channel can localize to the nucleus of neuronal cells. These results suggest that the OCR-2 TRPV cation channel may have a direct nuclear function in neuronal cells that was not previously appreciated.

  12. A Functional Nuclear Localization Sequence in the C. elegans TRPV Channel OCR-2

    PubMed Central

    Ezak, Meredith J.; Ferkey, Denise M.

    2011-01-01

    The ability to modulate gene expression in response to sensory experience is critical to the normal development and function of the nervous system. Calcium is a key activator of the signal transduction cascades that mediate the process of translating a cellular stimulus into transcriptional changes. With the recent discovery that the mammalian Cav1.2 calcium channel can be cleaved, enter the nucleus and act as a transcription factor to control neuronal gene expression, a more direct role for the calcium channels themselves in regulating transcription has begun to be appreciated. Here we report the identification of a nuclear localization sequence (NLS) in the C. elegans transient receptor potential vanilloid (TRPV) cation channel OCR-2. TRPV channels have previously been implicated in transcriptional regulation of neuronal genes in the nematode, although the precise mechanism remains unclear. We show that the NLS in OCR-2 is functional, being able to direct nuclear accumulation of a synthetic cargo protein as well as the carboxy-terminal cytosolic tail of OCR-2 where it is endogenously found. Furthermore, we discovered that a carboxy-terminal portion of the full-length channel can localize to the nucleus of neuronal cells. These results suggest that the OCR-2 TRPV cation channel may have a direct nuclear function in neuronal cells that was not previously appreciated. PMID:21957475

  13. Nature versus nurture: Functional assessment of restoration effects on wetland services using Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Sundareshwar, P. V.; Richardson, C. J.; Gleason, Robert A.; Pellechia, Perry J.; Honomichl, Shawn

    2009-02-01

    Land-use change has altered the ability of wetlands to provide vital services such as nutrient retention. While compensatory practices attempt to restore degraded wetlands and their functions, it is difficult to evaluate the recovery of soil biogeochemical functions that are critical for restoration of ecosystem services. Using solution 31P Nuclear Magnetic Resonance Spectroscopy, we examined the chemical forms of phosphorus (P) in soils from wetlands located across a land-use gradient. We report that soil P diversity, a functional attribute, was lowest in farmland, and greatest in native wetlands. Soil P diversity increased with age of restoration, indicating restoration of biogeochemical function. The trend in soil P diversity was similar to documented trends in soil bacterial taxonomic composition but opposite that of soil bacterial diversity at our study sites. These findings provide insights into links between ecosystem structure and function and provide a tool for evaluating the success of ecosystem restoration efforts.

  14. Nature versus nurture: functional assessment of restoration effects on wetland services using Nuclear Magnetic Resonance Spectroscopy

    USGS Publications Warehouse

    Sundareshwar, P.V.; Richardson, C.J.; Gleason, R.A.; Pellechia, P.J.; Honomichl, S.

    2009-01-01

    Land-use change has altered the ability of wetlands to provide vital services such as nutrient retention. While compensatory practices attempt to restore degraded wetlands and their functions, it is difficult to evaluate the recovery of soil biogeochemical functions that are critical for restoration of ecosystem services. Using solution 31P Nuclear Magnetic Resonance Spectroscopy, we examined the chemical forms of phosphorus (P) in soils from wetlands located across a land-use gradient. We report that soil P diversity, a functional attribute, was lowest in farmland, and greatest in native wetlands. Soil P diversity increased with age of restoration, indicating restoration of biogeochemical function. The trend in soil P diversity was similar to documented trends in soil bacterial taxonomic composition but opposite that of soil bacterial diversity at our study sites. These findings provide insights into links between ecosystem structure and function and provide a tool for evaluating the success of ecosystem restoration efforts. Copyright 2009 by the American Geophysical Union.

  15. Calculation of the matrix elements of the Coulomb interaction involving relativistic hydrogenic wave functions

    NASA Astrophysics Data System (ADS)

    Sarkadi, L.

    2017-03-01

    The program MTRDCOUL [1] calculates the matrix elements of the Coulomb interaction between a charged particle and an atomic electron, ∫ ψf∗ (r) ∣ R - r∣-1ψi(r) d r. Bound-free transitions are considered, and relativistic hydrogenic wave functions are used. In this revised version a bug discovered in the F3Y CPC Program Library subprogram [2] is fixed.

  16. Atomic radiative transition probabilities using negative-energy orbitals in fully variational wave functions

    NASA Astrophysics Data System (ADS)

    Jitrik, Oliverio; Bunge, Carlos F.

    2005-07-01

    Transition probabilities have been computed using a variational many-electron theory [R. Jáuregui, C.F. Bunge, E. Ley-Koo, Phys. Rev. A 55 (1997) 1781] incorporating positive-energy and negative-energy orbitals without ambiguities, and absolutely free from variational collapse. The results agree with experiment and with other calculations based on the no-pair Hamiltonian where ad hoc negative-energy orbitals occur in first-order corrections to the wave functions.

  17. Second entanglement and (re)Born wave functions in Stochastic Electrodynamics

    NASA Astrophysics Data System (ADS)

    Kracklauer, A. F.

    2006-01-01

    The wave function in Quantum Mechanics has properties that render its physical interpretation unclear. On the one hand, its modulus squared is interpreted as a probability density, but, unlike conventional probabilities, it interacts with the material world. In addition, it is thought to have encapsulated nonlocal correlation and, according to modern thought, parallel information in a manner impossible according to classical physics. In this paper, an extended version of Stochastic Electrodynamics is presented which offers conventional models for these otherwise spooky features.

  18. Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems

    NASA Astrophysics Data System (ADS)

    Shepherd, James J.; Grüneis, Andreas; Booth, George H.; Kresse, Georg; Alavi, Ali

    2012-07-01

    Using the finite simulation-cell homogeneous electron gas (HEG) as a model, we investigate the convergence of the correlation energy to the complete-basis-set (CBS) limit in methods utilizing plane-wave wave-function expansions. Simple analytic and numerical results from second-order Møller-Plesset theory (MP2) suggest a 1/M decay of the basis-set incompleteness error where M is the number of plane waves used in the calculation, allowing for straightforward extrapolation to the CBS limit. As we shall show, the choice of basis-set truncation when constructing many-electron wave functions is far from obvious, and here we propose several alternatives based on the momentum transfer vector, which greatly improve the rate of convergence. This is demonstrated for a variety of wave-function methods, from MP2 to coupled-cluster doubles theory and the random-phase approximation plus second-order screened exchange. Finite basis-set energies are presented for these methods and compared with exact benchmarks. A transformation can map the orbitals of a general solid state system onto the HEG plane-wave basis and thereby allow application of these methods to more realistic physical problems. We demonstrate this explicitly for solid and molecular lithium hydride.

  19. Extracting the density profile of an electronic wave function in a quantum dot

    NASA Astrophysics Data System (ADS)

    Boyd, Erin E.; Westervelt, Robert M.

    2011-11-01

    We use a model of a one-dimensional nanowire quantum dot to demonstrate the feasibility of a scanning probe microscope (SPM) imaging technique that can extract both the energy of an electron state and the amplitude of its wave function using a single instrument. This imaging technique can probe electrons that are buried beneath the surface of a low-dimensional semiconductor structure and provide valuable information for the design of quantum devices. A conducting SPM tip, acting as a movable gate, measures the energy of an electron state using Coulomb blockade spectroscopy. When the tip is close to the nanowire dot, it dents the wave function Ψ(x) of the quantum state, changing the electron's energy by an amount proportional to |Ψ(x)|2. By recording the change in energy as the SPM tip is moved along the length of the dot, the density profile of the electronic wave function can be found along the length of the quantum dot.

  20. Emergence of complex and spinor wave functions in scale relativity. I. Nature of scale variables

    NASA Astrophysics Data System (ADS)

    Nottale, Laurent; Célérier, Marie-Noëlle

    2013-11-01

    One of the main results of scale relativity as regards the foundation of quantum mechanics is its explanation of the origin of the complex nature of the wave function. The scale relativity theory introduces an explicit dependence of physical quantities on scale variables, founding itself on the theorem according to which a continuous and non-differentiable space-time is fractal (i.e., scale-divergent). In the present paper, the nature of the scale variables and their relations to resolutions and differential elements are specified in the non-relativistic case (fractal space). We show that, owing to the scale-dependence which it induces, non-differentiability involves a fundamental two-valuedness of the mean derivatives. Since, in the scale relativity framework, the wave function is a manifestation of the velocity field of fractal space-time geodesics, the two-valuedness of velocities leads to write them in terms of complex numbers, and yields therefore the complex nature of the wave function, from which the usual expression of the Schrödinger equation can be derived.

  1. Many-body Localization Transition in Rokhsar-Kivelson-type wave functions

    NASA Astrophysics Data System (ADS)

    Chen, Xiao; Yu, Xiongjie; Cho, Gil Young; Clark, Bryan; Fradkin, Eduardo

    We construct a family of many-body wave functions to study the many-body localization phase transition. The wave functions have a Rokhsar-Kivelson form, in which the weight for the configurations are chosen from the Gibbs weights of a classical spin glass model, known as the Random Energy Model, multiplied by a random sign structure to represent a highly excited state. These wave functions show a phase transition into an MBL phase. In addition, we see three regimes of entanglement scaling with subsystem size: scaling with entanglement corresponding to an infinite temperature thermal phase, constant scaling, and a sub-extensive scaling between these limits. Near the phase transition point, the fluctuations of the Renyi entropies are non-Gaussian. We find that Renyi entropies with different Renyi index transition into the MBL phase at different points and have different scaling behavior, suggesting a multifractal behavior. This work was supported in part by DMR-1064319 and DMR-1408713 (XC,GYC,EF) at the University of Illinois, PHY11-25915 at KITP (EF), DOE, SciDAC FG02-12ER46875 (BKC and XY), and the Brain Korea 21 PLUS Project of Korea Government (GYC).

  2. Emergence of complex and spinor wave functions in scale relativity. I. Nature of scale variables

    SciTech Connect

    Nottale, Laurent; Célérier, Marie-Noëlle

    2013-11-15

    One of the main results of scale relativity as regards the foundation of quantum mechanics is its explanation of the origin of the complex nature of the wave function. The scale relativity theory introduces an explicit dependence of physical quantities on scale variables, founding itself on the theorem according to which a continuous and non-differentiable space-time is fractal (i.e., scale-divergent). In the present paper, the nature of the scale variables and their relations to resolutions and differential elements are specified in the non-relativistic case (fractal space). We show that, owing to the scale-dependence which it induces, non-differentiability involves a fundamental two-valuedness of the mean derivatives. Since, in the scale relativity framework, the wave function is a manifestation of the velocity field of fractal space-time geodesics, the two-valuedness of velocities leads to write them in terms of complex numbers, and yields therefore the complex nature of the wave function, from which the usual expression of the Schrödinger equation can be derived.

  3. Computing wave functions of nonlinear Schroedinger equations: A time-independent approach

    SciTech Connect

    Chang, S.-L.; Chien, C.-S. Jeng, B.-W.

    2007-09-10

    We present a novel algorithm for computing the ground-state and excited-state solutions of M-coupled nonlinear Schroedinger equations (MCNLS). First we transform the MCNLS to the stationary state ones by using separation of variables. The energy level of a quantum particle governed by the Schroedinger eigenvalue problem (SEP) is used as an initial guess to computing their counterpart of a nonlinear Schroedinger equation (NLS). We discretize the system via centered difference approximations. A predictor-corrector continuation method is exploited as an iterative method to trace solution curves and surfaces of the MCNLS, where the chemical potentials are treated as continuation parameters. The wave functions can be easily obtained whenever the solution manifolds are numerically traced. The proposed algorithm has the advantage that it is unnecessary to discretize or integrate the partial derivatives of wave functions. Moreover, the wave functions can be computed for any time scale. Numerical results on the ground-state and excited-state solutions are reported, where the physical properties of the system such as isotropic and nonisotropic trapping potentials, mass conservation constraints, and strong and weak repulsive interactions are considered in our numerical experiments.

  4. Elevated copper impairs hepatic nuclear receptor function in Wilson’s disease

    PubMed Central

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

    2015-01-01

    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. PMID:26241054

  5. Working With the Wave Equation in Aeroacoustics: The Pleasures of Generalized Functions

    NASA Technical Reports Server (NTRS)

    Farassat, F.; Brentner, Kenneth S.; Dunn, mark H.

    2007-01-01

    The theme of this paper is the applications of generalized function (GF) theory to the wave equation in aeroacoustics. We start with a tutorial on GFs with particular emphasis on viewing functions as continuous linear functionals. We next define operations on GFs. The operation of interest to us in this paper is generalized differentiation. We give many applications of generalized differentiation, particularly for the wave equation. We discuss the use of GFs in finding Green s function and some subtleties that only GF theory can clarify without ambiguities. We show how the knowledge of the Green s function of an operator L in a given domain D can allow us to solve a whole range of problems with operator L for domains situated within D by the imbedding method. We will show how we can use the imbedding method to find the Kirchhoff formulas for stationary and moving surfaces with ease and elegance without the use of the four-dimensional Green s theorem, which is commonly done. Other subjects covered are why the derivatives in conservation laws should be viewed as generalized derivatives and what are the consequences of doing this. In particular we show how we can imbed a problem in a larger domain for the identical differential equation for which the Green s function is known. The primary purpose of this paper is to convince the readers that GF theory is absolutely essential in aeroacoustics because of its powerful operational properties. Furthermore, learning the subject and using it can be fun.

  6. An Application of Functional Renormalization Group Method for Superdense Nuclear Matter

    NASA Astrophysics Data System (ADS)

    Barnaföldi, G. G.; Jakovác, A.; Pósfay, P.

    2017-01-01

    We proposed a method, using the expansion of the effective potential in a base of harmonic functions, to study the Functional Renormalization Group (FRG) method at finite chemical potential. Within this theoretical framework we determined the equation of state and the phase diagram of a simple model of massless fermions coupled to scalars through Yukawa-couling at the zero-temperature limit. Here, we use our FRG-based equation of state to describe the superdense nuclear matter inside compact astrophysical objects. We calculated the mass-radius relation for a compact star using the TOV equation, which was compared to other results.

  7. EGF Regulation of Nuclear Co-Activator AIB1 Function in Breast Cancer

    DTIC Science & Technology

    2005-04-01

    AD Award Number: DAMDl7-02-1-0394 TITLE: EGF Regulation of Nuclear Co-Activator AIBI Function in Breast Cancer PRINCIPAL INVESTIGATOR: Annabell S. Oh...Activator AIBI Function in DAMD17-02-1-0394 Breast Cancer 6. AUTHOR(S) Annabell S. Oh 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) 8. PERFORMING...Factor-i Signaling in Human Breast Cancer. Doctoral dissertation of Annabell S. Oh, B.S. from the Department 14 of Tumor Biology, Georgetown

  8. Coupled-cluster Green's function: Analysis of properties originating in the exponential parametrization of the ground-state wave function

    SciTech Connect

    Peng, Bo; Kowalski, Karol

    2016-12-23

    In this paper we derive basic properties of the Green’s function matrix elements stemming from the exponential coupled cluster (CC) parametrization of the ground-state wave function. We demon- strate that all intermediates used to express retarded (or equivalently, ionized) part of the Green’s function in the ω-representation can be expressed through connected diagrams only. Similar proper- ties are also shared by the first order ω-derivatives of the retarded part of the CC Green’s function. This property can be extended to any order ω-derivatives of the Green’s function. Through the Dyson equation of CC Green’s function, the derivatives of corresponding CC self-energy can be evaluated analytically. In analogy to the CC Green’s function, the corresponding CC self-energy is expressed in terms of connected diagrams only. Moreover, the ionized part of the CC Green’s func- tion satisfies the non-homogeneous linear system of ordinary differential equations, whose solution may be represented in the exponential form. Our analysis can be easily generalized to the advanced part of the CC Green’s function.

  9. Crustal thickness estimation in the Maule Region (Chile) from P-wave receiver function analysis

    NASA Astrophysics Data System (ADS)

    Dannowski, A.; Grevemeyer, I.; Thorwart, M. M.; Rabbel, W.; Flueh, E. R.

    2010-12-01

    A temporary passive seismic network of 31 broad-band stations was deployed in the region around Talca and Constitución between 35°S to 36°S latitude and 71°W to 72.5°W longitude. The network was operated between March and October 2008. Thus, we recorded data prior the magnitude Mw=8.8 earthquake of 27 February 2010 at a latitude of the major slip and surface uplift. The experiment was conducted to address fundamental questions on deformation processes, crustal and mantle structures, and fluid flow. We present first results of a teleseismic P receiver function study that covers the coastal region and reaches to the Andes. The aim is to determine the structure and thickness of the continental crust and constrain the state of hydration of the mantle wedge. The P-wave receiver function technique requires large teleseismic earthquakes from different distances and backazimuths. A few percent of the incident P-wave energy from a teleseismic event will be converted into S-wave (Ps) at significant and relatively sharp discontinuities beneath the station. A small converted S phase is produced that arrives at the station within the P wave coda directly after the direct P-wave. The converted Ps phase and their crustal multiples contain information about crustal properties, such as Moho depth and the crustal vp/vs ratio. We use teleseismic events with magnitudes mb > 5.5 at epicentral distances between 30° and 95° to examine P-to-S converted seismic phases. Our preliminary results provide new information about the thickness of the continental crust beneath the coastal region in Central Chile. At most of the stations we observed significant energy from P to S converted waves between 4 and 5 s after the direct P-wave within a positive phase interpreted as the Moho, occurring at 35 to 40 km. Thus, the great Maule earthquake of 27 February 2010 nucleated up-dip of the continental Moho and hence ruptured along a plate contact between subducted sediments and continental crust

  10. Acute effect of alcohol intake on sine-wave Cartesian and polar contrast sensitivity functions

    PubMed Central

    Cavalcanti-Galdino, M.K.; da Silva, J.A.; Mendes, L.C.; dos Santos, N.A.; Simas, M.L.B.

    2014-01-01

    The aim of this study was to assess contrast sensitivity for angular frequency stimuli as well as for sine-wave gratings in adults under the effect of acute ingestion of alcohol. We measured the contrast sensitivity function (CSF) for gratings of 0.25, 1.25, 2.5, 4, 10, and 20 cycles per degree of visual angle (cpd) as well as for angular frequency stimuli of 1, 2, 4, 24, 48, and 96 cycles/360°. Twenty adults free of ocular diseases, with normal or corrected-to-normal visual acuity, and no history of alcoholism were enrolled in two experimental groups: 1) no alcohol intake (control group) and 2) alcohol ingestion (experimental group). The average concentration of alcohol in the experimental group was set to about 0.08%. We used a paradigm involving a forced-choice method. Maximum sensitivity to contrast for sine-wave gratings in the two groups occurred at 4 cpd sine-wave gratings and at 24 and 48 cycles/360° for angular frequency stimuli. Significant changes in contrast sensitivity were observed after alcohol intake compared with the control condition at spatial frequency of 4 cpd and 1, 24, and 48 cycles/360° for angular frequency stimuli. Alcohol intake seems to affect the processing of sine-wave gratings at maximum sensitivity and at the low and high frequency ends for angular frequency stimuli, both under photopic luminance conditions. PMID:24676473

  11. Acute effect of alcohol intake on sine-wave Cartesian and polar contrast sensitivity functions.

    PubMed

    Cavalcanti-Galdino, M K; Silva, J A da; Mendes, L C; Santos, N A da; Simas, M L B

    2014-04-01

    The aim of this study was to assess contrast sensitivity for angular frequency stimuli as well as for sine-wave gratings in adults under the effect of acute ingestion of alcohol. We measured the contrast sensitivity function (CSF) for gratings of 0.25, 1.25, 2.5, 4, 10, and 20 cycles per degree of visual angle (cpd) as well as for angular frequency stimuli of 1, 2, 4, 24, 48, and 96 cycles/360°. Twenty adults free of ocular diseases, with normal or corrected-to-normal visual acuity, and no history of alcoholism were enrolled in two experimental groups: 1) no alcohol intake (control group) and 2) alcohol ingestion (experimental group). The average concentration of alcohol in the experimental group was set to about 0.08%. We used a paradigm involving a forced-choice method. Maximum sensitivity to contrast for sine-wave gratings in the two groups occurred at 4 cpd sine-wave gratings and at 24 and 48 cycles/360° for angular frequency stimuli. Significant changes in contrast sensitivity were observed after alcohol intake compared with the control condition at spatial frequency of 4 cpd and 1, 24, and 48 cycles/360° for angular frequency stimuli. Alcohol intake seems to affect the processing of sine-wave gratings at maximum sensitivity and at the low and high frequency ends for angular frequency stimuli, both under photopic luminance conditions.

  12. Probability density functions of the stream flow discharge in linearized diffusion wave models

    NASA Astrophysics Data System (ADS)

    Chang, Ching-Min; Yeh, Hund-Der

    2016-12-01

    This article considers stream flow discharge moving through channels subject to the lateral inflow and described by a linearized diffusion wave equation. The variability of lateral inflow is manifested by random fluctuations in time, which is the only source of uncertainty as to flow discharge quantification. The stochastic nature of stream flow discharge is described by the probability density function (PDF) obtained using the theory of distributions. The PDF of the stream flow discharge depends on the hydraulic properties of the stream flow, such as the wave celerity and hydraulic diffusivity as well as the temporal correlation scale of the lateral inflow rate fluctuations. The focus in this analysis is placed on the influence of the temporal correlation scale and the wave celerity coefficient on the PDF of the flow discharge. The analysis demonstrates that a larger temporal correlation scale causes an increase of PDF of the lateral inflow rate and, in turn, the PDF of the flow discharge which is also affected positively by the wave celerity coefficient.

  13. Dss1 associating with the proteasome functions in selective nuclear mRNA export in yeast

    SciTech Connect

    Mannen, Taro; Andoh, Tomoko; Tani, Tokio

    2008-01-25

    Dss1p is an evolutionarily conserved small protein that interacts with BRCA2, a tumor suppressor protein, in humans. The Schizosaccharomyces pombe strain lacking the dss1{sup +} gene ({delta}dss1) shows a temperature-sensitive growth defect and accumulation of bulk poly(A){sup +} RNA in the nucleus at a nonpermissive temperature. In situ hybridization using probes for several specific mRNAs, however, revealed that the analyzed mRNAs were exported normally to the cytoplasm in {delta}dss1, suggesting that Dss1p is required for export of some subsets of mRNAs. We identified the pad1{sup +} gene, which encodes a component of the 26S proteasome, as a suppressor for the ts{sup -} phenotype of {delta}dss1. Unexpectedly, overexpression of Pad1p could suppress neither the defect in nuclear mRNA export nor a defect in proteasome function. In addition, loss of proteasome functions does not cause defective nuclear mRNA export. Dss1p seems to be a multifunctional protein involved in nuclear export of specific sets of mRNAs and the ubiquitin-proteasome pathway in fission yeast.

  14. Exploration of High-Dimensional Scalar Function for Nuclear Reactor Safety Analysis and Visualization

    SciTech Connect

    Dan Maljovec; Bei Wang; Valerio Pascucci; Peer-Timo Bremer; Michael Pernice; Robert Nourgaliev

    2013-05-01

    The next generation of methodologies for nuclear reactor Probabilistic Risk Assessment (PRA) explicitly accounts for the time element in modeling the probabilistic system evolution and uses numerical simulation tools to account for possible dependencies between failure events. The Monte-Carlo (MC) and the Dynamic Event Tree (DET) approaches belong to this new class of dynamic PRA methodologies. A challenge of dynamic PRA algorithms is the large amount of data they produce which may be difficult to visualize and analyze in order to extract useful information. We present a software tool that is designed to address these goals. We model a large-scale nuclear simulation dataset as a high-dimensional scalar function defined over a discrete sample of the domain. First, we provide structural analysis of such a function at multiple scales and provide insight into the relationship between the input parameters and the output. Second, we enable exploratory analysis for users, where we help the users to differentiate features from noise through multi-scale analysis on an interactive platform, based on domain knowledge and data characterization. Our analysis is performed by exploiting the topological and geometric properties of the domain, building statistical models based on its topological segmentations and providing interactive visual interfaces to facilitate such explorations. We provide a user’s guide to our software tool by highlighting its analysis and visualization capabilities, along with a use case involving dataset from a nuclear reactor safety simulation.

  15. 3 CFR - Delegation of Certain Functions Under Section 204(c) of the United States-India Nuclear...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... authority vested in me as President by the Constitution and the laws of the United States of America...) of the United States-India Nuclear Cooperation Approval and Nonproliferation Enhancement Act (Public... Delegation of Certain Functions Under Section 204(c) of the United States-India Nuclear Cooperation...

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

    SciTech Connect

    McKee, David Wayne

    2003-05-01

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

  17. Extraction of nuclear spin response functions from spin observables of nucleon quasifree scattering

    SciTech Connect

    Ichimura, M. ); Kawahigashi, K. )

    1992-04-01

    Extraction of spin-longitudinal and -transverse response functions from polarization transfer measurements of nucleon-nucleus quasifree scatterings is discussed. The method proposed by Carey {ital et} {ital al}. is reconsidered and more general formulas are presented. Spin-longitudinal and -transverse interactions are well defined in the nucleon-nucleon scattering {ital t} matrix in the nucleon-nucleon center-of-mass frame. However, observed data are given in the nucleon-nucleus laboratory frame and theoretical analysis based on the distorted-wave and plane-wave impulse approximations is carried out in the nucleon-nucleus center-of-mass system, in which the {ital t} matrix in a certain optimum frame of the nucleon-nucleon system is used. Careful consideration is paid for transformations among these reference frames relativistically.

  18. Imaging the assembly, structure, and function of the nuclear pore inside cells.

    PubMed

    Otsuka, Shotaro; Szymborska, Anna; Ellenberg, Jan

    2014-01-01

    The nuclear pore complex (NPC) mediates selective transport across the nuclear envelope (NE) and plays crucial roles in several additional cellular functions. In higher eukaryotes, the NPC and the NE disassemble and reassemble during cell division and live-cell imaging has been a powerful tool to analyze these dynamic processes. Here, we present a method for the kinetic analysis of postmitotic NPC assembly and reestablishment of transport competence in intact cells by multicolor 4D imaging and photoswitching. By applying the methods we have established previously using normal rat kidney to HeLa cells, we demonstrate the conservation of NPC assembly in different mammalian cells. We recently showed that the molecular organization of the NPC can be studied by combining stochastic super-resolution microscopy with single-particle averaging and present this method here in detail.

  19. Swiss army knives: non-canonical functions of nuclear Drosha and Dicer.

    PubMed

    Burger, Kaspar; Gullerova, Monika

    2015-07-01

    The RNase III enzymes Drosha and Dicer are essential for the production of small non-coding RNAs (ncRNAs). In canonical RNAi, microRNAs (miRNAs) regulate gene expression by post-transcriptional gene silencing. In non-canonical RNAi, nuclear RNAi factors generate small ncRNAs that are essential for transcriptional gene silencing. Recent evidence points to the existence of additional non-canonical nuclear RNAi functions in various organisms, including in genome maintenance and editing, as well as in DNA repair. Drosha and Dicer directly regulate gene expression and RNA metabolism at different stages, such as transcriptional initiation and termination, and the processing of various RNA species, including pre-mRNAs. Furthermore, Dicer isoforms were recently discovered and attributed with roles in apoptosis, development and disease.

  20. Crustal structure of Nigeria and Southern Ghana, West Africa from P-wave receiver functions

    NASA Astrophysics Data System (ADS)

    Akpan, Ofonime; Nyblade, Andrew; Okereke, Chiedu; Oden, Michael; Emry, Erica; Julià, Jordi

    2016-04-01

    We report new estimates of crustal thickness (Moho depth), Poisson's ratio and shear-wave velocities for eleven broadband seismological stations in Nigeria and Ghana. Data used for this study came from teleseismic earthquakes recorded at epicentral distances between 30° and 95° and with moment magnitudes greater than or equal to 5.5. P-wave receiver functions were modeled using the Moho Ps arrival times, H-k stacking, and joint inversion of receiver functions and Rayleigh wave group velocities. The average crustal thickness of the stations in the Neoproterozoic basement complex of Nigeria is 36 km, and 23 km for the stations in the Cretaceous Benue Trough. The crustal structure of the Paleoproterozoic Birimian Terrain, and Neoproterozoic Dahomeyan Terrain and Togo Structural Unit in southern Ghana is similar, with an average Moho depth of 44 km. Poisson's ratios for all the stations range from 0.24 to 0.26, indicating a bulk felsic to intermediate crustal composition. The crustal structure of the basement complex in Nigeria is similar to the average crustal structure of Neoproterozoic terrains in other parts of Africa, but the two Neoproterozoic terrains in southern Ghana have a thicker crust with a thick mafic lower crust, ranging in thickness from 12 to 17 km. Both the thicker crust and thick mafic lower crustal section are consistent with many Precambrian suture zones, and thus we suggest that both features are relict from the collisional event during the formation of Gondwana.

  1. I=2 pion scattering length from two-pion wave functions

    SciTech Connect

    Aoki, S.; Iwasaki, Y.; Kanaya, K.; Yamazaki, T.; Fukugita, M.; Ishikawa, K-I.; Okawa, M.; Ishizuka, N.; Kuramashi, Y.; Ukawa, A.; Yoshie, T.; Kaneko, T.

    2005-05-01

    We calculate the two-pion wave function in the ground state of the I=2 S-wave system and find the interaction range between two pions, which allows us to examine the validity of the necessary condition for the finite-volume method for the scattering length proposed by Luescher. We work in the quenched approximation employing a renormalization group improved gauge action for gluons and an improved Wilson action for quarks at 1/a=1.207(12) GeV on 16{sup 3}x80, 20{sup 3}x80, and 24{sup 3}x80 lattices. We conclude that the necessary condition is satisfied within the statistical errors for the lattice sizes L{>=}24 (3.92 fm) when the quark mass is in the range that corresponds to m{sub {pi}}{sup 2}=0.273-0.736 GeV{sup 2}. We obtain the scattering length with a smaller statistical error from the wave function than from the two-pion time correlator.

  2. Transient neuronal coactivations embedded in globally propagating waves underlie resting-state functional connectivity

    PubMed Central

    Matsui, Teppei; Murakami, Tomonari; Ohki, Kenichi

    2016-01-01

    Resting-state functional connectivity (FC), which measures the correlation of spontaneous hemodynamic signals (HemoS) between brain areas, is widely used to study brain networks noninvasively. It is commonly assumed that spatial patterns of HemoS-based FC (Hemo-FC) reflect large-scale dynamics of underlying neuronal activity. To date, studies of spontaneous neuronal activity cataloged heterogeneous types of events ranging from waves of activity spanning the entire neocortex to flash-like activations of a set of anatomically connected cortical areas. However, it remains unclear how these various types of large-scale dynamics are interrelated. More importantly, whether each type of large-scale dynamics contributes to Hemo-FC has not been explored. Here, we addressed these questions by simultaneously monitoring neuronal calcium signals (CaS) and HemoS in the entire neocortex of mice at high spatiotemporal resolution. We found a significant relationship between two seemingly different types of large-scale spontaneous neuronal activity—namely, global waves propagating across the neocortex and transient coactivations among cortical areas sharing high FC. Different sets of cortical areas, sharing high FC within each set, were coactivated at different timings of the propagating global waves, suggesting that spatial information of cortical network characterized by FC was embedded in the phase of the global waves. Furthermore, we confirmed that such transient coactivations in CaS were indeed converted into spatially similar coactivations in HemoS and were necessary to sustain the spatial structure of Hemo-FC. These results explain how global waves of spontaneous neuronal activity propagating across large-scale cortical network contribute to Hemo-FC in the resting state. PMID:27185944

  3. Electron energy distribution functions in low-pressure oxygen plasma columns sustained by propagating surface waves

    SciTech Connect

    Stafford, L.; Margot, J.; Moisan, M.; Khare, R.; Donnelly, V. M.

    2009-01-12

    Electron energy distribution functions (EEDFs) were measured in a 50 mTorr oxygen plasma column sustained by propagating surface waves. Trace-rare-gas-optical-emission spectroscopy was used to derive EEDFs by selecting lines to extract ''electron temperature''(T{sub e}) corresponding to either lower energy electrons that excite high-lying levels through stepwise excitation via metastable states or higher energy electrons that excite emission directly from the ground state. Lower energy T{sub e}'s decreased from 8 to 5.5 eV with distance from the wave launcher, while T{sub e}{approx_equal}6 eV for higher energy electrons and T{sub e}>20 eV for a high-energy tail. Mechanisms for such EEDFs are discussed.

  4. Quantum quench in two dimensions using the variational Baeriswyl wave function

    NASA Astrophysics Data System (ADS)

    Dóra, Balázs; Haque, Masudul; Pollmann, Frank; Hetényi, Balázs

    2016-03-01

    By combining the Baeriswyl wave function with equilibrium and time-dependent variational principles, we develop a nonequilibrium formalism to study quantum quenches for two-dimensional spinless fermions with nearest-neighbor hopping and repulsion. The variational ground-state energy, the charge-density wave (CDW) order parameter, and the short-time dynamics agree convincingly with the results of numerically exact simulations. We find that, depending on the initial and final interaction strength, the quenched system either exhibits oscillatory behavior or relaxes to a time-independent steady state. The time-averaged expectation value of the CDW order parameter rises sharply when crossing from the steady-state regime to the oscillating regime, indicating that the system, being nonintegrable, shows signs of thermalization with an effective temperature above or below the equilibrium critical temperature, respectively.

  5. Density functional calculations of Pd nanoparticles using a plane-wave method.

    PubMed

    Viñes, Francesc; Illas, Francesc; Neyman, Konstantin M

    2008-09-25

    We deal with usage of plane-wave density functional calculations of crystallites formed of 100-200 transition metal atoms to mimic larger experimentally treated particles. A series of model Pd clusters containing up to 225 atoms is chosen as an example. We focused on the description of size-dependent geometric parameters and binding energies of these clusters as compared with previous benchmark calculations; evolution of the particle electronic structure with increasing size has also been addressed. The high performance of the plane-wave calculations for transition-metal nanoparticles has been documented. Implications of this work on broadening opportunities to design and study realistic models of catalytic systems are outlined.

  6. Linear-scaling density functional theory using the projector augmented wave method

    NASA Astrophysics Data System (ADS)

    Hine, Nicholas D. M.

    2017-01-01

    Quantum mechanical simulation of realistic models of nanostructured systems, such as nanocrystals and crystalline interfaces, demands computational methods combining high-accuracy with low-order scaling with system size. Blöchl’s projector augmented wave (PAW) approach enables all-electron (AE) calculations with the efficiency and systematic accuracy of plane-wave pseudopotential calculations. Meanwhile, linear-scaling (LS) approaches to density functional theory (DFT) allow for simulation of thousands of atoms in feasible computational effort. This article describes an adaptation of PAW for use in the LS-DFT framework provided by the ONETEP LS-DFT package. ONETEP uses optimisation of the density matrix through in situ-optimised local orbitals rather than the direct calculation of eigenstates as in traditional PAW approaches. The method is shown to be comparably accurate to both PAW and AE approaches and to exhibit improved convergence properties compared to norm-conserving pseudopotential methods.

  7. Kar5p is required for multiple functions in both inner and outer nuclear envelope fusion in Saccharomyces cerevisiae.

    PubMed

    Rogers, Jason V; Rose, Mark D

    2014-12-02

    During mating in the budding yeast Saccharomyces cerevisiae, two haploid nuclei fuse via two sequential membrane fusion steps. SNAREs (i.e., soluble N-ethylmaleimide-sensitive factor attachment protein receptors) and Prm3p mediate outer nuclear membrane fusion, but the inner membrane fusogen remains unknown. Kar5p is a highly conserved transmembrane protein that localizes adjacent to the spindle pole body (SPB), mediates nuclear envelope fusion, and recruits Prm3p adjacent to the SPB. To separate Kar5p's functions, we tested localization, Prm3p recruitment, and nuclear fusion efficiency in various kar5 mutants. All domains and the conserved cysteine residues were essential for nuclear fusion. Several kar5 mutant proteins localized properly but did not mediate Prm3p recruitment; other kar5 mutant proteins localized and recruited Prm3p but were nevertheless defective for nuclear fusion, demonstrating additional functions beyond Prm3p recruitment. We identified one Kar5p domain required for SPB localization, which is dependent on the half-bridge protein Mps3p. Electron microscopy revealed a kar5 mutant that arrests with expanded nuclear envelope bridges, suggesting that Kar5p is required after outer nuclear envelope fusion. Finally, a split-GFP assay demonstrated that Kar5p localizes to both the inner and outer nuclear envelope. These insights suggest a mechanism by which Kar5p mediates inner nuclear membrane fusion.

  8. Linear density response function in the projector augmented wave method: Applications to solids, surfaces, and interfaces

    NASA Astrophysics Data System (ADS)

    Yan, Jun; Mortensen, Jens. J.; Jacobsen, Karsten W.; Thygesen, Kristian S.

    2011-06-01

    We present an implementation of the linear density response function within the projector-augmented wave method with applications to the linear optical and dielectric properties of both solids, surfaces, and interfaces. The response function is represented in plane waves while the single-particle eigenstates can be expanded on a real space grid or in atomic-orbital basis for increased efficiency. The exchange-correlation kernel is treated at the level of the adiabatic local density approximation (ALDA) and crystal local field effects are included. The calculated static and dynamical dielectric functions of Si, C, SiC, AlP, and GaAs compare well with previous calculations. While optical properties of semiconductors, in particular excitonic effects, are generally not well described by ALDA, we obtain excellent agreement with experiments for the surface loss function of graphene and the Mg(0001) surface with plasmon energies deviating by less than 0.2 eV. Finally, the method is applied to study the influence of substrates on the plasmon excitations in graphene.

  9. Decay length of surface-state wave functions on Bi(1 1 1)

    NASA Astrophysics Data System (ADS)

    Ishida, H.

    2017-01-01

    We calculate the decay length in surface normal direction of the surface-state wave functions on a clean Bi(1 1 1) surface as a function of two-dimensional (2D) wave vector \\mathbf{k} along the {\\bar Γ }-\\bar{M} line. For this purpose, we perform a first-principles density functional theory (DFT) calculation for semi-infinite Bi(1 1 1) by employing the surface embedded Green’s function technique. The decay length of the two surface bands is found to be  ∼24 Bi bilayers at \\bar{M} , while it remains less than 5 Bi bilayers when \\mathbf{k} is away from \\bar{M} and {\\bar Γ } . At {\\bar Γ } , the degenerate surface bands are split from the upper boundary energy of the projected bulk valence bands only by 5 meV. In spite of this, the decay length of these bands at {\\bar Γ } is less than 10 Bi bilayers due to the large effective mass (small curvature) of the highest valence band in the surface normal direction.

  10. Lithospheric structure beneath Eastern Africa from joint inversion of receiver functions and Rayleigh wave velocities

    NASA Astrophysics Data System (ADS)

    Dugda, Mulugeta Tuji

    Crust and upper mantle structure beneath eastern Africa has been investigated using receiver functions and surface wave dispersion measurements to understand the impact of the hotspot tectonism found there on the lithospheric structure of the region. In the first part of this thesis, I applied H-kappa stacking of receiver functions, and a joint inversion of receiver functions and Rayleigh wave group velocities to determine the crustal parameters under Djibouti. The two methods give consistent results. The crust beneath the GEOSCOPE station ATD has a thickness of 23+/-1.5 km and a Poisson's ratio of 0.31+/-0.02. Previous studies give crustal thickness beneath Djibouti to be between 8 and 10 km. I found it necessary to reinterprete refraction profiles for Djibouti from a previous study. The crustal structure obtained for ATD is similar to adjacent crustal structure in many other parts of central and eastern Afar. The high Poisson's ratio and Vp throughout most of the crust indicate a mafic composition, suggesting that the crust in Afar consists predominantly of new igneous rock emplaced during the late synrift stage where extension is accommodated within magmatic segments by diking. In the second part of this thesis, the seismic velocity structure of the crust and upper mantle beneath Ethiopia and Djibouti has been investigated by jointly inverting receiver functions and Rayleigh wave group velocities to obtain new constraints on the thermal structure of the lithosphere. Crustal structure from the joint inversion for Ethiopia and Djibouti is similar to previously published models. Beneath the Main Ethiopian Rift (MER) and Afar, the lithospheric mantle has a maximum shear wave velocity of 4.1-4.2 km/s and extends to a depth of at most 50 km. In comparison to the lithosphere away from the East African Rift System in Tanzania, where the lid extends to depths of ˜100-125 km and has a maximum shear velocity of 4.6 km/s, the mantle lithosphere under the Ethiopian Plateau

  11. Progress at the interface of wave-function and density-functional theories

    SciTech Connect

    Gidopoulos, Nikitas I.

    2011-04-15

    The Kohn-Sham (KS) potential of density-functional theory (DFT) emerges as the minimizing effective potential in a variational scheme that does not involve fixing the unknown single-electron density. Using Rayleigh Schroedinger (RS) perturbation theory (PT), we construct ab initio approximations for the energy difference, the minimization of which determines the KS potential directly - thereby bypassing DFT's traditional algorithm to search for the density that minimizes the total energy. From second-order RS PT, we obtain variationally stable energy differences to be minimized, solving the severe problem of variational collapse of orbital-dependent exchange-correlation functionals based on second-order RS PT.

  12. Mitochondrial tRNA-lookalikes in nuclear chromosomes: could they be functional?

    PubMed

    Telonis, Aristeidis G; Kirino, Yohei; Rigoutsos, Isidore

    2015-01-01

    The presence in human nuclear chromosomes of multiple sequences that are highly similar to human mitochondrial tRNAs (tRNA-lookalikes) raises intriguing questions about the possible functionality of these genomic loci. In this perspective, we explore the significance of the mitochondrial tRNA-lookalikes based on a series of properties that argue for their non-accidental nature. We particularly focus on the possibility of transcription as well as on potential functional roles for these sequences that can range from their acting as DNA regulatory elements to forming functional mature tRNAs or tRNA-derived fragments. Extension of our analysis to other simians (chimp, gorilla, rhesus, and squirrel monkey), 2 rodents (mouse and rat), a marsupial (opossum) and 3 invertebrates (fruit-fly, worm, and sponge) revealed that mitochondrial tRNA-lookalikes are prevalent in primates and the opossum but absent from the other analyzed organisms.

  13. Crustal thickness variation beneath the Romanian seismic network from Rayleigh wave dispersion and receiver function analysis

    NASA Astrophysics Data System (ADS)

    Tataru, Dragos; Grecu, Bogdan; Zaharia, Bogdan

    2014-05-01

    Variations in crustal thickness in Romania where determined by joint inversion of P wave receiver functions (RFs) and Rayleigh wave group velocity dispersion. We present new models of shear wave velocity structure of the crust beneath Romanian broad band stations. The data set consist in more than 500 teleseismic earthquake with epicentral distance between 30° and 95°, magnitude greater than 6 and a signal-to-noise ratio greater than 3 for the P-wave pulse. Most epicenters are situated along the northern Pacific Rim and arrive with backazimuths (BAZs) between 0° and 135° at the Romanian seismic network. We combine receiver functions with fundamental-mode of the Rayleigh wave group velocities to further constrain the shear-wave velocity structure.To extract the group velocities we applied the Multiple Filter Technique analysis to the vertical components of the earthquakes recordings. This technique allowed us to identify the Rayleigh wave fundamental mode and to compute the dispersion curves of the group velocities at periods between 10 and 150 s allowing us to resolve shear wave velocities to a depth of 100 km. The time-domain iterative deconvolution procedure of Ligorrıa and Ammon (1999) was employed to deconvolve the vertical component of the teleseismic P waveforms from the corresponding horizontal components and obtain radial and transverse receiver functions at each broadband station. The data are inverted using a joint, linearized inversion scheme (Hermann, 2002) which accounts for the relative influence of each set of observations, and allows a trade-off between fitting the observations, constructing a smooth model, and matching a priori constraints. The results show a thin crust for stations located inside the Pannonian basin (28-30 km) and a thicker crust for those in the East European Platform (36-40 km). The stations within the Southern and Central Carpathian Orogen are characterized by crustal depths of ~35 km. For stations located in the Northern

  14. Constraining the Lithospheric Structure of the Central Andes Using P- and S- wave Receiver Functions

    NASA Astrophysics Data System (ADS)

    Ryan, J. C.; Beck, S. L.; Zandt, G.; Wagner, L. S.; Minaya, E.; Tavera, H.

    2014-12-01

    The Central Andean Plateau (CAP) has elevations in excess of 3 km, and is part of the Andean Cordillera that resulted in part from shortening along the western edge of South America as it was compressed between the subducting Nazca plate and underthrusting Brazilian cratonic lithosphere. We calculated P- and S-wave receiver functions for the Central Andean Uplift and Geodynamics of High Topography (CAUGHT) temporary deployment of broadband seismometers in the Bolivian orocline (12°-20°S) region to investigate crustal thickness and lithospheric structure. Migration of the receiver functions is done using common conversion point (CCP) stacks through a 3D shear velocity model from ambient noise tomography (Ward et al., 2013). The P- and S-wave receiver functions provide similar estimates of the depth to Moho under the CAP. Crustal thicknesses include 60-65 km thick crust underneath the Bolivian Altiplano, crust that varies from ~70 km to ~50 km underneath the Eastern Cordillera and Interandean zone, and thins to 50 to 40 km crust in the Subandes and the edge of the foreland. The variable crustal thickness of the Eastern Cordillera and Interandean zone ranges from >70 km associated with the Los Frailes volcanic field at 19°-20°S to ~55 km beneath the 6 km peaks of the Cordillera Real at ~16°S. From our S-wave receiver functions, that have no multiples that can interfere with deeper structure, we also identify structures below the Moho. Along a SW-NE line that runs near La Paz where we have our highest station density, the S-wave CCP receiver-function stacks show a strong negative polarity arrival at a depth of ~120 km from the eastern edge of the Altiplano to the Subandean zone. We suggest this may be a good candidate for the base of the CAP lithosphere. In addition, above this depth the mantle is strongly layered, suggesting that there is not a simple high velocity mantle lithosphere associated with the continental lithosphere underthrusting the Andean orogen

  15. The wave function and minimum uncertainty function of the bound quadratic Hamiltonian system

    NASA Technical Reports Server (NTRS)

    Yeon, Kyu Hwang; Um, Chung IN; George, T. F.

    1994-01-01

    The bound quadratic Hamiltonian system is analyzed explicitly on the basis of quantum mechanics. We have derived the invariant quantity with an auxiliary equation as the classical equation of motion. With the use of this invariant it can be determined whether or not the system is bound. In bound system we have evaluated the exact eigenfunction and minimum uncertainty function through unitary transformation.

  16. LLNL's Regional Model Calibration and Body-Wave Discrimination Research in the Former Soviet Union using Peaceful Nuclear Explosions (PNEs)

    SciTech Connect

    Bhattacharyya, J.; Rodgers, A.; Swenson, J.; Schultz, C.; Walter, W.; Mooney, W.; Clitheroe, G.

    2000-07-14

    Long-range seismic profiles from Peaceful Nuclear Explosions (PNE) in the Former Soviet Union (FSU) provide a unique data set to investigate several important issues in regional Comprehensive Nuclear-Test-Ban Treaty (CTBT) monitoring. The recording station spacing ({approx}15 km) allows for extremely dense sampling of the propagation from the source to {approx} 3300 km. This allows us to analyze the waveforms at local, near- and far-regional and teleseismic distances. These data are used to: (1) study the evolution of regional phases and phase amplitude ratios along the profile; (2) infer one-dimensional velocity structure along the profile; and (3) evaluate the spatial correlation of regional and teleseismic travel times and regional phase amplitude ratios. We analyzed waveform data from four PNE's (m{sub b} = 5.1-5.6) recorded along profile KRATON, which is an east-west trending profile located in northern Sibertil. Short-period regional discriminants, such as P/S amplitude ratios, will be essential for seismic monitoring of the Comprehensive Nuclear-Test-Ban Treaty (CTBT) at small magnitudes (m{sub b} < 4.0). However, P/S amplitude ratios in the short-period band, 0.5-5.0 Hz, show some scatter. This scatter is primarily due to propagation and site effects, which arise from variability in the elastic and anelastic structure of the crustal waveguide. Preliminary results show that Pg and Lg propagate efficiently in north Siberia at regional distances. The amplitude ratios show some variability between adjacent stations that are modeled by simple distance trends. The effect of topography, sediment and crustal thickness, and upper mantle discontinuities on these ratios, after removal of the distance trends, will be investigated. The travel times of the body wave phases recorded on KEATON have been used to compute the one-dimensional structure of the crust and upper mantle in this region. The path-averaged one-dimensional velocity model was computed by minimizing the

  17. Dissecting Torsin/cofactor function at the nuclear envelope: a genetic study

    PubMed Central

    Laudermilch, Ethan; Tsai, Pei-Ling; Graham, Morven; Turner, Elizabeth; Zhao, Chenguang; Schlieker, Christian

    2016-01-01

    The human genome encodes four Torsin ATPases, the functions of which are poorly understood. In this study, we use CRISPR/Cas9 engineering to delete all four Torsin ATPases individually and in combination. Using nuclear envelope (NE) blebbing as a phenotypic measure, we establish a direct correlation between the number of inactivated Torsin alleles and the occurrence of omega-shaped herniations within the lumen of the NE. A similar, although not identical, redundancy is observed for LAP1 and LULL1, which serve as regulatory cofactors for a subset of Torsin ATPases. Unexpectedly, deletion of Tor2A in a TorA/B/3A-deficient background results in a stark increase of bleb formation, even though Tor2A does not respond to LAP1/LULL1 stimulation. The robustness of the observed phenotype in Torsin-deficient cells enables a structural analysis via electron microscopy tomography and a compositional analysis via immunogold labeling. Ubiquitin and nucleoporins were identified as distinctively localizing components of the omega-shaped bleb structure. These findings suggest a functional link between the Torsin/cofactor system and NE/nuclear pore complex biogenesis or homeostasis and establish a Torsin-deficient cell line as a valuable experimental platform with which to decipher Torsin function. PMID:27798237

  18. Nucleon spectral function at finite temperature and the onset of superfluidity in nuclear matter

    SciTech Connect

    Alm, T.; Roepke, G.; Schnell, A.; Kwong, N.H.; Koehler, H.S.

    1996-05-01

    Nucleon self-energies and spectral functions are calculated at the saturation density of symmetric nuclear matter at finite temperatures. In particular, the behavior of these quantities at temperatures above and close to the critical temperature for the superfluid phase transition in nuclear matter is discussed. It is shown how the singularity in the thermodynamic {ital T} matrix at the critical temperature for superfluidity (Thouless criterion) reflects in the self-energy and correspondingly in the spectral function. The real part of the on-shell self-energy (optical potential) shows an anomalous behavior for momenta near the Fermi momentum and temperatures close to the critical temperature related to the pairing singularity in the imaginary part. For comparison the self-energy derived from the {ital K} matrix of Brueckner theory is also calculated. It is found that there is no pairing singularity in the imaginary part of the self-energy in this case, which is due to the neglect of hole-hole scattering in the {ital K} matrix. From the self-energy the spectral function and the occupation numbers for finite temperatures are calculated. {copyright} {ital 1996 The American Physical Society.}

  19. Expression, function, and targeting of the nuclear exporter chromosome region maintenance 1 (CRM1) protein.

    PubMed

    Ishizawa, Jo; Kojima, Kensuke; Hail, Numsen; Tabe, Yoko; Andreeff, Michael

    2015-09-01

    Nucleocytoplasmic trafficking of proteins/RNAs is essential to normal cellular function. Indeed, accumulating evidence suggests that cancer cells escape anti-neoplastic mechanisms and benefit from pro-survival signals via the dysregulation of this system. The nuclear exporter chromosome region maintenance 1 (CRM1) protein is the only protein in the karyopherin-β protein family that contributes to the trafficking of numerous proteins and RNAs from the nucleus. It is considered to be an oncogenic, anti-apoptotic protein in transformed cells, since it reportedly functions as a gatekeeper for cell survival, including affecting p53 function, and ribosomal biogenesis. Furthermore, abnormally high expression of CRM1 is correlated with poor patient prognosis in various malignancies. Therapeutic targeting of CRM1 has emerged as a novel cancer treatment strategy, starting with a clinical trial with leptomycin B, the original specific inhibitor of CRM1, followed by development of several next-generation small molecules. KPT-330, a novel member of the CRM1-selective inhibitors of nuclear export (SINE) class of compounds, is currently undergoing clinical evaluation for the therapy of various malignancies. Results from these trials suggest that SINE compounds may be particularly useful against hematological malignancies, which often become refractory to standard chemotherapeutic agents.

  20. RAM function is dependent on Kapβ2-mediated nuclear entry.

    PubMed

    Gonatopoulos-Pournatzis, Thomas; Cowling, Victoria H

    2014-02-01

    Eukaryotic gene expression is dependent on the modification of the first transcribed nucleotide of pre-mRNA by the addition of the 7-methylguanosine cap. The cap protects transcripts from exonucleases and recruits complexes which mediate transcription elongation, processing and translation initiation. The cap is synthesized by a series of reactions which link 7-methylguanosine to the first transcribed nucleotide via a 5' to 5' triphosphate bridge. In mammals, cap synthesis is catalysed by the sequential action of RNGTT (RNA guanylyltransferase and 5'-phosphatase) and RNMT (RNA guanine-7 methyltransferase), enzymes recruited to RNA pol II (polymerase II) during the early stages of transcription. We recently discovered that the mammalian cap methyltransferase is a heterodimer consisting of RNMT and the RNMT-activating subunit RAM (RNMT-activating mini-protein). RAM activates and stabilizes RNMT and thus is critical for cellular cap methylation and cell viability. In the present study we report that RNMT interacts with the N-terminal 45 amino acids of RAM, a domain necessary and sufficient for maximal RNMT activation. In contrast, smaller components of this RAM domain are sufficient to stabilize RNMT. RAM functions in the nucleus and we report that nuclear import of RAM is dependent on PY nuclear localization signals and Kapβ2 (karyopherin β2) nuclear transport protein.

  1. Simultaneous Microscopic Description of Nuclear Level Density and Radiative Strength Function

    NASA Astrophysics Data System (ADS)

    Hung, N. Quang; Dang, N. Dinh; Huong, L. T. Quynh

    2017-01-01

    The nuclear level density (NLD) and radiative strength function (RSF) are simultaneously described within a microscopic approach, which takes into account the thermal effects of the exact pairing as well as the giant resonances within the phonon-damping model. The good agreement between the results of calculations and experimental data extracted by the Oslo group for 170,171,172Yb isotopes shows the importance of exact thermal pairing in the description of NLD at low and intermediate excitation energies. It also invalidates the assumption based on the Brink-Axel hypothesis in the description of the RSF.

  2. Probing the Nodal Structure of Landau Level Wave Functions in Real Space.

    PubMed

    Bindel, J R; Ulrich, J; Liebmann, M; Morgenstern, M

    2017-01-06

    The inversion layer of p-InSb(110) obtained by Cs adsorption of 1.8% of a monolayer is used to probe the Landau level wave functions within smooth potential valleys by scanning tunneling spectroscopy at 14 T. The nodal structure becomes apparent as a double peak structure of each spin polarized first Landau level, while the zeroth Landau level exhibits a single peak per spin level only. The real space data show single rings of the valley-confined drift states for the zeroth Landau level and double rings for the first Landau level. The result is reproduced by a recursive Green function algorithm using the potential landscape obtained experimentally. We show that the result is generic by comparing the local density of states from the Green function algorithm with results from a well-controlled analytic model based on the guiding center approach.

  3. Probing the Nodal Structure of Landau Level Wave Functions in Real Space

    NASA Astrophysics Data System (ADS)

    Bindel, J. R.; Ulrich, J.; Liebmann, M.; Morgenstern, M.

    2017-01-01

    The inversion layer of p -InSb (110 ) obtained by Cs adsorption of 1.8% of a monolayer is used to probe the Landau level wave functions within smooth potential valleys by scanning tunneling spectroscopy at 14 T. The nodal structure becomes apparent as a double peak structure of each spin polarized first Landau level, while the zeroth Landau level exhibits a single peak per spin level only. The real space data show single rings of the valley-confined drift states for the zeroth Landau level and double rings for the first Landau level. The result is reproduced by a recursive Green function algorithm using the potential landscape obtained experimentally. We show that the result is generic by comparing the local density of states from the Green function algorithm with results from a well-controlled analytic model based on the guiding center approach.

  4. Shear wave velocity variation across the Taupo Volcanic Zone, New Zealand, from receiver function inversion

    USGS Publications Warehouse

    Bannister, S.; Bryan, C.J.; Bibby, H.M.

    2004-01-01

    The Taupo Volcanic Zone (TVZ), New Zealand is a region characterized by very high magma eruption rates and extremely high heat flow, which is manifest in high-temperature geothermal waters. The shear wave velocity structure across the region is inferred using non-linear inversion of receiver functions, which were derived from teleseismic earthquake data. Results from the non-linear inversion, and from forward synthetic modelling, indicate low S velocities at ???6- 16 km depth near the Rotorua and Reporoa calderas. We infer these low-velocity layers to represent the presence of high-level bodies of partial melt associated with the volcanism. Receiver functions at other stations are complicated by reverberations associated with near-surface sedimentary layers. The receiver function data also indicate that the Moho lies between 25 and 30 km, deeper than the 15 ?? 2 km depth previously inferred for the crust-mantle boundary beneath the TVZ. ?? 2004 RAS.

  5. Nuclear localization and functional characteristics of voltage-gated potassium channel Kv1.3.

    PubMed

    Jang, Soo Hwa; Byun, Jun Kyu; Jeon, Won-Il; Choi, Seon Young; Park, Jin; Lee, Bo Hyung; Yang, Ji Eun; Park, Jin Bong; O'Grady, Scott M; Kim, Dae-Yong; Ryu, Pan Dong; Joo, Sang-Woo; Lee, So Yeong

    2015-05-15

    It is widely known that ion channels are expressed in the plasma membrane. However, a few studies have suggested that several ion channels including voltage-gated K(+) (Kv) channels also exist in intracellular organelles where they are involved in the biochemical events associated with cell signaling. In the present study, Western blot analysis using fractionated protein clearly indicates that Kv1.3 channels are expressed in the nuclei of MCF7, A549, and SNU-484 cancer cells and human brain tissues. In addition, Kv1.3 is located in the plasma membrane and the nucleus of Jurkat T cells. Nuclear membrane hyperpolarization after treatment with margatoxin (MgTX), a specific blocker of Kv1.3 channels, provides evidence for functional channels at the nuclear membrane of A549 cells. MgTX-induced hyperpolarization is abolished in the nuclei of Kv1.3 silenced cells, and the effects of MgTX are dependent on the magnitude of the K(+) gradient across the nuclear membrane. Selective Kv1.3 blockers induce the phosphorylation of cAMP response element-binding protein (CREB) and c-Fos activation. Moreover, Kv1.3 is shown to form a complex with the upstream binding factor 1 in the nucleus. Chromatin immunoprecipitation assay reveals that Sp1 transcription factor is directly bound to the promoter region of the Kv1.3 gene, and the Sp1 regulates Kv1.3 expression in the nucleus of A549 cells. These results demonstrate that Kv1.3 channels are primarily localized in the nucleus of several types of cancer cells and human brain tissues where they are capable of regulating nuclear membrane potential and activation of transcription factors, such as phosphorylated CREB and c-Fos.

  6. Functional analysis of the Cucumber mosaic virus 2b protein: pathogenicity and nuclear localization.

    PubMed

    Wang, Yongzeng; Tzfira, Tzvi; Gaba, Victor; Citovsky, Vitaly; Palukaitis, Peter; Gal-On, Amit

    2004-10-01

    The 2b protein encoded by Cucumber mosaic virus (CMV) has been shown to be a silencing suppressor and pathogenicity determinant in solanaceous hosts, but a movement determinant in cucumber. In addition, synergistic interactions between CMV and Zucchini yellow mosaic virus (ZYMV) have been described in several cucurbit species. Here, it was shown that deletion of the 2b gene from CMV prevented extensive systemic movement of the virus in zucchini squash, which could not be complemented by co-infection with ZYMV. Thus, ZYMV expressing a silencing suppressor with a different target could not complement the CMV 2b-specific movement function. Expression of the 2b protein from an attenuated ZYMV vector resulted in a synergistic response, largely restoring infection symptoms of wild-type ZYMV in several cucurbit species. Deletion or alteration of either of two nuclear localization signals (NLSs) did not affect nuclear localization in two assays, but did affect pathogenicity in several cucurbit species, whilst deletion of both NLSs led to loss of nuclear localization. The 2b protein interacted with an Arabidopsis thaliana karyopherin alpha protein (AtKAPalpha) in the yeast two-hybrid system, as did each of the two single NLS-deletion mutants. However, 2b protein containing a deletion of both NLSs was unable to interact with AtKAPalpha. These data suggest that the 2b protein localizes to the nucleus by using the karyopherin alpha-mediated system, but demonstrate that nuclear localization was insufficient for enhancement of the 2b-mediated pathogenic response in cucurbit hosts. Thus, the sequences corresponding to the two NLSs must have another role leading to pathogenicity enhancement.

  7. Nuclear Localization and Functional Characteristics of Voltage-gated Potassium Channel Kv1.3*

    PubMed Central

    Jang, Soo Hwa; Byun, Jun Kyu; Jeon, Won-Il; Choi, Seon Young; Park, Jin; Lee, Bo Hyung; Yang, Ji Eun; Park, Jin Bong; O'Grady, Scott M.; Kim, Dae-Yong; Ryu, Pan Dong; Joo, Sang-Woo; Lee, So Yeong

    2015-01-01

    It is widely known that ion channels are expressed in the plasma membrane. However, a few studies have suggested that several ion channels including voltage-gated K+ (Kv) channels also exist in intracellular organelles where they are involved in the biochemical events associated with cell signaling. In the present study, Western blot analysis using fractionated protein clearly indicates that Kv1.3 channels are expressed in the nuclei of MCF7, A549, and SNU-484 cancer cells and human brain tissues. In addition, Kv1.3 is located in the plasma membrane and the nucleus of Jurkat T cells. Nuclear membrane hyperpolarization after treatment with margatoxin (MgTX), a specific blocker of Kv1.3 channels, provides evidence for functional channels at the nuclear membrane of A549 cells. MgTX-induced hyperpolarization is abolished in the nuclei of Kv1.3 silenced cells, and the effects of MgTX are dependent on the magnitude of the K+ gradient across the nuclear membrane. Selective Kv1.3 blockers induce the phosphorylation of cAMP response element-binding protein (CREB) and c-Fos activation. Moreover, Kv1.3 is shown to form a complex with the upstream binding factor 1 in the nucleus. Chromatin immunoprecipitation assay reveals that Sp1 transcription factor is directly bound to the promoter region of the Kv1.3 gene, and the Sp1 regulates Kv1.3 expression in the nucleus of A549 cells. These results demonstrate that Kv1.3 channels are primarily localized in the nucleus of several types of cancer cells and human brain tissues where they are capable of regulating nuclear membrane potential and activation of transcription factors, such as phosphorylated CREB and c-Fos. PMID:25829491

  8. Binding Energy of d¹º Transition Metals to Alkenes By Wave Function Theory and Density Functional Theory

    SciTech Connect

    Averkiev, Boris B; Zhao, Yan; Truhlar, Donald G

    2010-06-01

    The structures of Pd(PH₃)₂ and Pt(PH₃)₂ complexes with ethene and conjugated CnHn+2 systems (n=4, 6, 8, and 10) were studied. Their binding energies were calculated using both wave function theory (WFT) and density functional theory (DFT). Previously it was reported that the binding energy of the alkene to the transition metal does not depend strongly on the size of the conjugated CnHn+2 ligand, but that DFT methods systematically underestimate the binding energy more and more significantly as the size of the conjugated system is increased. Our results show that recently developed density functionals predict the binding energy for these systems much more accurately. New benchmark calculations carried out by the coupled cluster method based on Brueckner orbitals with double excitations and a quasiperturbative treatment of connected triple excitations (BCCD(T)) with a very large basis set agree even better with the DFT predictions than do the previous best estimates. The mean unsigned error in absolute and relative binding energies of the alkene ligands to Pd(PH₃)₂ is 2.5 kcal/mol for the ωB97 and M06 density functionals and 2.9 kcal/mol for the M06-L functional. Adding molecular mechanical damped dispersion yields even smaller mean unsigned errors: 1.3 kcal/mol for the M06-D functional, 1.5 kcal/mol for M06- L-D, and 1.8 kcal/mol for B97-D and ωB97X-D. The new functionals also lead to improved accuracy for the analogous Pt complexes. These results show that recently developed density functionals may be very useful for studying catalytic systems involving Pd d¹º centers and alkenes.

  9. Subspace accelerated inexact Newton method for large scale wave functions calculations in Density Functional Theory

    SciTech Connect

    Fattebert, J

    2008-07-29

    We describe an iterative algorithm to solve electronic structure problems in Density Functional Theory. The approach is presented as a Subspace Accelerated Inexact Newton (SAIN) solver for the non-linear Kohn-Sham equations. It is related to a class of iterative algorithms known as RMM-DIIS in the electronic structure community. The method is illustrated with examples of real applications using a finite difference discretization and multigrid preconditioning.

  10. Empirical Synthesis of Green functions from the correlation of diffuse waves

    NASA Astrophysics Data System (ADS)

    Campillo, M.; Larose, E.; Margerin, L.; Paul, A.; van Tiggelen, B.; Derode, A.; Abers, G.

    2003-12-01

    We show the existence of long range field correlations in the seismic coda of regional records in both Mexico and Alaska. The cross-correlation tensor between the coda records at two points is measured for a set of distant earthquakes. Remarkably, while individual correlations have a random character, the source- averaged correlations exhibit deterministic arrivals that obey the same symmetry rules as the Green tensor between the two points. In addition, the arrival times of these waves coincide with propagating surface waves between the two stations. Thus, we propose to identify the averaged correlation signals with the surface wave part of the Green tensor. However, while time reversal symmetry theoretically imposes that the Green function appears at both negative and positive times, we find experimentally this symmetry to be broken when the distribution of earthquakes is not isotropic around the stations. We explain this observation by the long lasting anisotropy of the diffuse field. This point is further discussed in a companion paper where we prove both experimentally and theoretically that a dominant flux of energy coming from the source can persist in the late coda. Finally, we show that averaged cross-correlations of ambient noise enable the reconstruction of some coherent arrivals. These examples illustrate a novel empirical method that provides synthetic seismograms between two stations, without the knowledge of the precise location and origin times of the sources.

  11. Estimates of azimuthal numbers associated with elementary elliptic cylinder wave functions

    NASA Astrophysics Data System (ADS)

    Kovalev, V. A.; Radaev, Yu. N.

    2014-05-01

    The paper deals with issues related to the construction of solutions, 2 π-periodic in the angular variable, of the Mathieu differential equation for the circular elliptic cylinder harmonics, the associated characteristic values, and the azimuthal numbers needed to form the elementary elliptic cylinder wave functions. A superposition of the latter is one possible form for representing the analytic solution of the thermoelastic wave propagation problem in long waveguides with elliptic cross-section contour. The classical Sturm-Liouville problem for the Mathieu equation is reduced to a spectral problem for a linear self-adjoint operator in the Hilbert space of infinite square summable two-sided sequences. An approach is proposed that permits one to derive rather simple algorithms for computing the characteristic values of the angular Mathieu equation with real parameters and the corresponding eigenfunctions. Priority is given to the application of the most symmetric forms and equations that have not yet been used in the theory of the Mathieu equation. These algorithms amount to constructing a matrix diagonalizing an infinite symmetric pentadiagonal matrix. The problem of generalizing the notion of azimuthal number of a wave propagating in a cylindrical waveguide to the case of elliptic geometry is considered. Two-sided mutually refining estimates are constructed for the spectral values of the Mathieu differential operator with periodic and half-periodic (antiperiodic) boundary conditions.

  12. Nuclear structure at the limits of resolution: Looking through individual wave functions

    SciTech Connect

    Zelevinsky, V.G.

    1996-12-31

    60 years ago Niels Bohr suggested the idea of the compound nucleus. Bohr`s picture strongly resembles that of quantum chaos. Here one comes to the limits of resolution studying particular stationary states at high level density. Present knowledge comes from the experiment and from theoretical constructions, confirmed by the experiment at lower energies and extrapolated into the region where fine resolution measurements are not feasible. Such an analysis was carried out recently for heavy atoms and shell model nuclei. Among complicated states with the same values of integrals of motion, either (i) adjacent states have different structure or (ii) they {open_quotes}look the same{close_quotes} on the microscopic scale. Only (ii) corresponds to strong mixing assumed in the compound nucleus theory. Many-body chaos in nuclei is caused by residual interactions rather than by specific shape of the {open_quotes}container{close_quotes} as in quantum billiards. The shell model, including all degrees of freedom (in truncated space) along with the symmetry requirements, guarantees the correct level density up to some excitation energy. Therefore one can extrapolate the calculations into terra incognita of high lying states.

  13. Mantle upwelling beneath Madagascar: evidence from receiver function analysis and shear wave splitting

    NASA Astrophysics Data System (ADS)

    Paul, Jonathan D.; Eakin, Caroline M.

    2017-01-01

    Crustal receiver functions have been calculated from 128 events for two three-component broadband seismomenters located on the south coast (FOMA) and in the central High Plateaux (ABPO) of Madagascar. For each station, crustal thickness and V p /V s ratio were estimated from H- κ plots. Self-consistent receiver functions from a smaller back-azimuthal range were then selected, stacked and inverted to determine shear wave velocity structure as a function of depth. These results were corroborated by guided forward modeling and by Monte Carlo error analysis. The crust is found to be thinner (39 ± 0.7 km) beneath the highland center of Madagascar compared to the coast (44 ± 1.6 km), which is the opposite of what would be expected for crustal isostasy, suggesting that present-day long wavelength topography is maintained, at least in part, dynamically. This inference of dynamic support is corroborated by shear wave splitting analyses at the same stations, which produce an overwhelming majority of null results (>96 %), as expected for vertical mantle flow or asthenospheric upwelling beneath the island. These findings suggest a sub-plate origin for dynamic support.

  14. Extracting elements of molecular structure from the all-particle wave function

    SciTech Connect

    Matyus, Edit; Reiher, Markus; Hutter, Juerg; Mueller-Herold, Ulrich

    2011-11-28

    Structural information is extracted from the all-particle (non-Born-Oppenheimer) wave function by calculating radial and angular densities derived from n-particle densities. As a result, one- and two-dimensional motifs of classical molecular structure can be recognized in quantum mechanics. Numerical examples are presented for three- (H{sup -}, Ps{sup -}, H{sub 2}{sup +}), four- (Ps{sub 2}, H{sub 2}), and five-particle (H{sub 2}D{sup +}) systems.

  15. Relativistic k .p Hamiltonians for centrosymmetric topological insulators from ab initio wave functions

    NASA Astrophysics Data System (ADS)

    Nechaev, I. A.; Krasovskii, E. E.

    2016-11-01

    We present a method to microscopically derive a small-size k .p Hamiltonian in a Hilbert space spanned by physically chosen ab initio spinor wave functions. Without imposing any complementary symmetry constraints, our formalism equally treats three- and two-dimensional systems and simultaneously yields the Hamiltonian parameters and the true Z2 topological invariant. We consider bulk crystals and thin films of Bi2Se3 , Bi2Te3 , and Sb2Te3 . It turns out that the effective continuous k .p models with open boundary conditions often incorrectly predict the topological character of thin films.

  16. Unravelling the noise: the discrimination of wave function collapse models under time-continuous measurements

    NASA Astrophysics Data System (ADS)

    Genoni, Marco G.; Duarte, O. S.; Serafini, Alessio

    2016-10-01

    Inspired by the notion that environmental noise is in principle observable, while fundamental noise due to spontaneous localization would not be, we study the estimation of the diffusion parameter induced by wave function collapse models under continuous monitoring of the environment. We take into account finite measurement efficiencies and, in order to quantify the advantage granted by monitoring, we analyse the quantum Fisher information associated with such a diffusion parameter, identify optimal measurements in limiting cases, and assess the performance of such measurements in more realistic conditions.

  17. Imaging correlated wave functions of few-electron quantum dots: Theory and scanning tunneling spectroscopy experimentsa)

    NASA Astrophysics Data System (ADS)

    Rontani, Massimo; Molinari, Elisa; Maruccio, Giuseppe; Janson, Martin; Schramm, Andreas; Meyer, Christian; Matsui, Tomohiro; Heyn, Christian; Hansen, Wolfgang; Wiesendanger, Roland

    2007-04-01

    We show both theoretically and experimentally that scanning tunneling spectroscopy (STS) images of semiconductor quantum dots may display clear signatures of electron-electron correlation. We apply many-body tunneling theory to a realistic model, which fully takes into account correlation effects and dot anisotropy. Comparing measured STS images of freestanding InAs quantum dots with those calculated by the full configuration interaction method, we explain the wave-function sequence in terms of images of one- and two-electron states. The STS map corresponding to double charging is significantly distorted by electron correlation with respect to the noninteracting case.

  18. Evaluation of partial widths and branching ratios from resonance wave functions

    SciTech Connect

    Goldzak, Tamar; Gilary, Ido; Moiseyev, Nimrod

    2010-11-15

    A quantum system in a given resonance state has different open channels for decay. Partial widths are the decay rates of the resonance (metastable) state into the different open channels. Here we present a rigorous derivation of the partial widths from the solution of a time-dependent Schroedinger equation with outgoing boundary conditions. We show that the sum of the partial widths obtained from the resonance wave function is equal to the total width. The difference with respect to previous studies on partial widths and branching ratios is discussed.

  19. Real-time Kadanoff-Baym approach to nuclear response functions

    NASA Astrophysics Data System (ADS)

    Köhler, H. S.; Kwong, N. H.

    2016-03-01

    Linear density response functions are calculated for symmetric nuclear matter of normal density by time-evolving two-time Green's functions in real time. Of particular interest is the effect of correlations. The system is therefore initially time-evolved with a collision term calculated in a direct Born approximation until fully correlated. An external time-dependent potential is then applied. The ensuing density fluctuations are recorded to calculate the density response. This method was previously used by Kwong and Bonitz for studying plasma oscillations in a correlated electron gas. The energy-weighted sum-rule for the response function is guaranteed by using conserving self-energy insertions as the method then generates the full vertex-functions. These can alternatively be calculated by solving a Bethe -Salpeter equation as done in works by Bozek et al. The (first order) mean field is derived from a momentum-dependent (non-local) interaction while 2nd order self-energies are calculated using a particle-hole two-body effective (or residual) interaction given by a gaussian local potential. We show results of calculations of the response function S(ɷ,q0 ) for q0 = 0.2, 0.4 and 0.8fm -1. Comparison is made with the nucleons being un-correlated i.e. with only the first order mean field included. We discuss the relation of our work with the Landau quasi-particle theory as applied to nuclear systems by Babu and Brown and followers.

  20. The second AT-hook of the architectural transcription factor HMGA2 is determinant for nuclear localization and function

    PubMed Central

    Cattaruzzi, Giacomo; Altamura, Sandro; Tessari, Michela A.; Rustighi, Alessandra; Giancotti, Vincenzo; Pucillo, Carlo; Manfioletti, Guidalberto

    2007-01-01

    High Mobility Group A (HMGA) is a family of architectural nuclear factors which play an important role in neoplastic transformation. HMGA proteins are multifunctional factors that associate both with DNA and nuclear proteins that have been involved in several nuclear processes including transcription. HMGA localization is exclusively nuclear but, to date, the mechanism of nuclear import for these proteins remains unknown. Here, we report the identification and characterization of a nuclear localization signal (NLS) for HMGA2, a member of the HMGA family. The NLS overlaps with the second of the three AT-hooks, the DNA-binding domains characteristic for this group of proteins. The functionality of this NLS was demonstrated by its ability to target a heterologous β-galactosidase/green fluorescent protein fusion protein to the nucleus. Mutations to alanine of basic residues within the second AT-hook resulted in inhibition of HMGA2 nuclear localization and impairment of its function in activating the cyclin A promoter. In addition, HMGA2 was shown to directly interact with the nuclear import receptor importin-α2 via the second AT-hook. HMGA proteins are overexpressed and rearranged in a variety of tumors; our findings can thus help elucidating their role in neoplastic transformation. PMID:17324944