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Sample records for pf shell model

  1. Shell model description of Gamow-Teller strengths in pf-shell nuclei

    NASA Astrophysics Data System (ADS)

    Kumar, Vikas; Srivastava, P. C.

    2016-06-01

    A systematic shell model description of the experimental Gamow-Teller transition strength distributions in 42Ti , 46Cr , 50Fe and 54Ni is presented. These transitions have been recently measured via β -decay of these T_z=-1 nuclei, produced in fragmentation reactions at GSI and also with (3He, t) charge-exchange (CE) reactions corresponding to T_z=+1 to T_z=0 carried out at RCNP-Osaka. The calculations are performed in the pf model space, using the GXPF1a and KB3G effective interactions. Qualitative agreement is obtained for the individual transitions, while the calculated summed transition strengths closely reproduce the observed ones.

  2. Large scale diagonalizations in the pf shell: Achievements and perspectives

    NASA Astrophysics Data System (ADS)

    Caurier, E.; Nowacki, Frédéric; Zuker, A. P.; Martínez-Pinedo, G.; Poves, A.; Retamosa, J.

    The ( SM) 2 (Strasbourg-Madrid Shell Model) calculations in the full pf-shell are reviewed. We examine first some issues concerning codes and interactions. Then we list the predictions that have been experimentally verified, and give a description of the main findings concerning rotational motion. The last section introduces some new material on binomial level densities, and on convergence properties in the Lanczos basis. It will be shown how the largest calculation done so far could be made more economically.

  3. Effective gA in the pf shell

    NASA Astrophysics Data System (ADS)

    Martínez-Pinedo, G.; Poves, A.; Caurier, E.; Zuker, A. P.

    1996-06-01

    We have calculated the Gamow-Teller matrix elements of 64 decays of nuclei in the mass range A=41-50. In all the cases the valence space of the full pf shell is used. Agreement with the experimental results demands the introduction of an average quenching factor q=0.744+/-0.015 slightly smaller but statistically compatible with the sd-shell value, thus indicating that the present number is close to the limit for large A.

  4. Electron-capture Rates for pf-shell Nuclei in Stellar Environments and Nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Suzuki, Toshio; Honma, Michio; Mori, Kanji; Famiano, Michael A.; Kajino, Toshitaka; Hidakai, Jun; Otsuka, Takaharu

    Gamow-Teller strengths in pf-shell nuclei obtained by a new shell-model Hamltonian, GXPF1J, are used to evaluate electron-capture rates in pf-shell nuclei at stellar environments. The nuclear weak rates with GXPF1J, which are generally smaller than previous evaluations for proton-rich nuclei, are applied to nucleosynthesis in type Ia supernova explosions. The updated rates are found to lead to less production of neutron-rich nuclei such as 58Ni and 54Cr, thus toward a solution of the problem of over-production of neutron-rich isotopes of iron-group nuclei compared to the solar abundance.

  5. New effective interaction for 0({Dirac_h}/2{pi}){omega} shell-model calculations in the sd-pf valence space

    SciTech Connect

    Nowacki, F.; Poves, A.

    2009-01-15

    The neutron-rich isotopes with Z{<=}20, in particular those with neutron numbers around N=28, have been the focus of a lot experimental and theoretical scrutiny during the past few years. Shell-model calculations using the effective interaction SDPF-NR were able to predict or to explain most of the properties featured by these nuclei. Prominent among them is the disappearance of the N=28 shell closure for Z{<=}16. We have incorporated into SDPF-NR some modifications, either on purely theoretical grounds or guided by new experimental information. The proposed interaction SDPF-U offers enhanced reliability with respect to the earlier version.

  6. Determining the Energy Gap Between the sd-pf Neutron Shells in 25O

    NASA Astrophysics Data System (ADS)

    Jones, Michael; Frank, Nathan; Deyoung, Paul; Baumann, Thomas; Kohley, Zach; Smith, Jenna; Spyrou, Artemis; Stiefel, Krystin; Kuchera, Anthony; Thoennessen, Michael; MoNA Collaboration

    2014-09-01

    The excited states of 25O, particularly those of negative parity, are of great interest for determining the evolution of the sd-pf shell gap in and around the ``island of inversion.'' Shell Model (WBBS) calculations tuned to nearby 27Ne predict the 3/2- state in 25O to be only 500 keV above the ground state, implying the sd-pf shell gap to be small. Hence it is likely for nuclei beyond N = 16 to have mixing between the 0d3/2 and 1p3/2 orbitals. A recent experiment, performed at the NSCL, populated 25O through use of a (d , p) reaction. Using the Ursinus College Liquid Hydrogen Target, an 24O beam impinged on a deuterium target cell with a thickness of 400 mg/cm2 at a rate of approximately 30 pps to produce 25O, which decayed immediately by neutron emission. The resulting charged fragments were bent by the Sweeper magnet into a suite of charged particle detectors, while the neutrons traveled unimpeded towards MoNA (Modular Neutron Array) and LISA (Large multi-Institutional Scintillator Array). Together, MoNA-LISA and the Sweeper provide a full kinematic measurement from which the decay energy of the 2-body system can be determined. Preliminary results will be discussed.

  7. Isomeric mirror states as probes for effective charges in the lower pf shell

    NASA Astrophysics Data System (ADS)

    Hoischen, R.; Rudolph, D.; Ma, H. L.; Montuenga, P.; Hellström, M.; Pietri, S.; Podolyák, Zs; Regan, P. H.; Garnsworthy, A. B.; Steer, S. J.; Becker, F.; Bednarczyk, P.; Cáceres, L.; Doornenbal, P.; Gerl, J.; Górska, M.; Grębosz, J.; Kojouharov, I.; Kurz, N.; Prokopowicz, W.; Schaffner, H.; Wollersheim, H. J.; Andersson, L.-L.; Atanasova, L.; Balabanski, D. L.; Bentley, M. A.; Blazhev, A.; Brandau, C.; Brown, J. R.; Fahlander, C.; Johansson, E. K.; Jungclaus, A.

    2011-03-01

    Following the fragmentation of a 550 MeV u-1primary beam of 58Ni, time- and energy-correlated γ decays from isomeric states in neutron-deficient nuclei in the 1f7/2 shell have been identified using the GSI fragment separator in combination with the RISING Ge-detector array. The results on isomers in the mirror pairs 4322Ti21-4321Sc22 (Iπ = 3/2+ and 19/2-), 4524Cr21-4521Sc24 (Iπ = 3/2+) and 4523V22-4522Ti23 (Iπ = 3/2-) are discussed in the framework of large scale pf and sdpf shell-model calculations, the former in conjunction with isospin symmetry breaking effects with emphasis on effective charges.

  8. Pseudo-Symmetry and Majorana Operators in pf-Shell

    SciTech Connect

    Valencia, J. P.; Wu, H. C.

    2007-10-26

    The Majorana operator of the pseudo ds-shell preserves the SU-tilde(4) symmetry, and in a unified manner it reproduces reasonably well the ground state energies of the nine nuclei in this shell. The study of {beta} decay in the same shell provides further support for the SU-tilde(4) symmetry.

  9. Full pf shell study of A=47 and A=49 nuclei

    NASA Astrophysics Data System (ADS)

    Martínez-Pinedo, G.; Zuker, A. P.; Poves, A.; Caurier, E.

    1997-01-01

    Complete diagonalizations in the pf major shell lead to very good agreement with the experimental data (level schemes, transitions rates, and static moments) for the A=47 and A=49 isotopes of Ca, Sc, Ti, V, Cr, and Mn. Gamow-Teller and M1 strength functions are calculated. The necessary monopole modifications to the realistic interactions are shown to be critically tested by the spectroscopic factors for one particle transfer from 48Ca, reproduced in detail by the calculations. The collective behavior of 47Ti, and of the mirror pairs 47V-47Cr and 49Cr-49Mn is found to follow at low spins the particle plus rotor model. It is then analyzed in terms of the approximate quasi-SU(3) symmetry, for which some new results are given.

  10. New extrapolation method for low-lying states of nuclei in the sd and the pf shells

    SciTech Connect

    Shen, J. J.; Zhao, Y. M.; Arima, A.; Yoshinaga, N.

    2011-04-15

    We study extrapolation approaches to evaluate energies of low-lying states for nuclei in the sd and pf shells, by sorting the diagonal matrix elements of the nuclear shell-model Hamiltonian. We introduce an extrapolation method with perturbation and apply our new method to predict both low-lying state energies and E2 transition rates between low-lying states. Our predicted results arrive at an accuracy of the root-mean-squared deviations {approx}40-60 keV for low-lying states of these nuclei.

  11. Monte Carlo Methods and Applications for the Nuclear Shell Model

    SciTech Connect

    Dean, D.J.; White, J.A.

    1998-08-10

    The shell-model Monte Carlo (SMMC) technique transforms the traditional nuclear shell-model problem into a path-integral over auxiliary fields. We describe below the method and its applications to four physics issues: calculations of sd-pf-shell nuclei, a discussion of electron-capture rates in pf-shell nuclei, exploration of pairing correlations in unstable nuclei, and level densities in rare earth systems.

  12. Gamow-Teller Transitions in Stable and Unstable pf-shell Nuclei

    SciTech Connect

    Fujita, Y.; Rubio, B.; Gelletly, W.

    2008-11-11

    Gamow-Teller (GT) transitions starting from stable as well as unstable pf-shell nuclei are of interest not only in nuclear physics, but also in astrophysics, e.g. in violent neutrino-induced reactions at the core-collapse stage of type II supernovae. In the {beta}-decay study of these pf-shell nuclei, half-lives can be measured rather accurately. On the other hand, in high-resolution ({sup 3}He,t) charge-exchange reactions at 0 deg., individual GT transitions up to high excitations can be studied. Assuming the isospin symmetry for the strengths of T{sub z} = {+-}1{yields}0 analogous GT transitions, we present a unique 'merged analysis' for the determination of absolute B(GT) values. This method can be applied not only to T = 1 systems, but also to higher T systems.

  13. Spherical shell model description of deformation and superdeformation

    NASA Astrophysics Data System (ADS)

    Poves, A.; Caurier, E.; Nowacki, F.; Zuker, A.

    2003-04-01

    Large-scale shell model calculations give at present a very accurate and comprehensive description of light and medium-light nuclei, specially when 0hbar ω spaces are adequate. The full pf-shell calculations have made it possible to describe many collective features in an spherical shell model context. Calculations including two major oscillator shells have proven able to describe also superdeformed bands.

  14. Novel extrapolation method in the Monte Carlo shell model

    SciTech Connect

    Shimizu, Noritaka; Abe, Takashi; Utsuno, Yutaka; Mizusaki, Takahiro; Otsuka, Takaharu; Honma, Michio

    2010-12-15

    We propose an extrapolation method utilizing energy variance in the Monte Carlo shell model to estimate the energy eigenvalue and observables accurately. We derive a formula for the energy variance with deformed Slater determinants, which enables us to calculate the energy variance efficiently. The feasibility of the method is demonstrated for the full pf-shell calculation of {sup 56}Ni, and the applicability of the method to a system beyond the current limit of exact diagonalization is shown for the pf+g{sub 9/2}-shell calculation of {sup 64}Ge.

  15. Effective Interactions from No Core Shell Model

    SciTech Connect

    Dikmen, E.; Lisetskiy, A. F.; Barrett, B. R.; Navratil, P.; Vary, J. P.

    2008-11-11

    We construct the many-body effective Hamiltonian for pf-shell by carrying out 2({Dirac_h}/2{pi}){omega}. NCSM calculations at the 2-body cluster level. We demonstrate how the effective Hamiltonian derived from realistic nucleon-nucleon (NN) potentials for the 2({Dirac_h}/2{pi}){omega} NCSM space should be modified to properly account for the many-body correlations produced by truncating to the major pf-shell. We obtain two-body effective interactions for the pf-shell by using direct projection and use them to reproduce the results of large scale NCSM for other light Ca isotopes.

  16. Full pf shell model study of A=48 nuclei

    NASA Astrophysics Data System (ADS)

    Caurier, E.; Zuker, A. P.; Poves, A.; Martínez-Pinedo, G.

    1994-07-01

    Exact diagonalizations with a minimally modified realistic force lead to detailed agreement with measured level schemes and electromagnetic transitions in 48Ca, 48Sc, 48Ti, 48V, 48Cr, and 48Mn. Gamow-Teller strength functions are systematically calculated and reproduce the data to within the standard quenching factor. Their fine structure indicates that fragmentation makes much strength unobservable. As a by-product, the calculations suggest a microscopic description of the onset of rotational motion. The spectroscopic quality of the results provides strong arguments in favor of the general validity of monopole corrected realistic forces, which is discussed.

  17. Shell models of magnetohydrodynamic turbulence

    NASA Astrophysics Data System (ADS)

    Plunian, Franck; Stepanov, Rodion; Frick, Peter

    2013-02-01

    Shell models of hydrodynamic turbulence originated in the seventies. Their main aim was to describe the statistics of homogeneous and isotropic turbulence in spectral space, using a simple set of ordinary differential equations. In the eighties, shell models of magnetohydrodynamic (MHD) turbulence emerged based on the same principles as their hydrodynamic counter-part but also incorporating interactions between magnetic and velocity fields. In recent years, significant improvements have been made such as the inclusion of non-local interactions and appropriate definitions for helicities. Though shell models cannot account for the spatial complexity of MHD turbulence, their dynamics are not over simplified and do reflect those of real MHD turbulence including intermittency or chaotic reversals of large-scale modes. Furthermore, these models use realistic values for dimensionless parameters (high kinetic and magnetic Reynolds numbers, low or high magnetic Prandtl number) allowing extended inertial range and accurate dissipation rate. Using modern computers it is difficult to attain an inertial range of three decades with direct numerical simulations, whereas eight are possible using shell models. In this review we set up a general mathematical framework allowing the description of any MHD shell model. The variety of the latter, with their advantages and weaknesses, is introduced. Finally we consider a number of applications, dealing with free-decaying MHD turbulence, dynamo action, Alfvén waves and the Hall effect.

  18. Shell model calculations of 109Sb in the sdgh shell

    NASA Astrophysics Data System (ADS)

    Dikmen, E.; Novoselsky, A.; Vallieres, M.

    2001-12-01

    The energy spectra of the antimony isotope 109Sb in the sdgh shell are calculated in the nuclear shell model approach by using the CD-Bonn nucleon-nucleon interaction. The modified Drexel University parallel shell model code (DUPSM) was used for the calculations with maximum Hamiltonian dimension of 762 253 of 5.14% sparsity. The energy levels are compared to the recent experimental results. The calculations were done on the Cyborg Parallel Cluster System at Drexel University.

  19. Low energy dipole strength from large scale shell model calculations

    NASA Astrophysics Data System (ADS)

    Sieja, Kamila

    2017-09-01

    Low energy enhancement of radiative strength functions has been deduced from experiments in several mass regions of nuclei. Such an enhancement is believed to impact the calculated neutron capture rates which are crucial input for reaction rates of astrophysical interest. Recently, shell model calculations have been performed to explain the upbend of the γ-strength as due to the M1 transitions between close-lying states in the quasi-continuum in Fe and Mo nuclei. Beyond mean-↓eld calculations in Mo suggested, however, a non-negligible role of electric dipole in the low energy enhancement. So far, no calculations of both dipole components within the same theoretical framework have been presented in this context. In this work we present newly developed large scale shell model appraoch that allows to treat on the same footing natural and non-natural parity states. The calculations are performed in a large sd - pf - gds model space, allowing for 1p{1h excitations on the top of the full pf-shell con↓guration mixing. We restrict the discussion to the magnetic part of the dipole strength, however, we calculate for the ↓rst time the magnetic dipole strength between states built of excitations going beyond the classical shell model spaces. Our results corroborate previous ↓ndings for the M1 enhancement for the natural parity states while we observe no enhancement for the 1p{1h contributions. We also discuss in more detail the e↑ects of con↓guration mixing limitations on the enhancement coming out from shell model calculations.

  20. Absolute oscillator strengths for the valence and inner (P 2p,2s) shell photoabsorption, photoionization, and ionic photofragmentation of PF 3

    NASA Astrophysics Data System (ADS)

    Au, Jennifer W.; Brion, C. E.

    1997-08-01

    Absolute oscillator strengths (cross-sections) for the photoabsorption of phosphorus pentafluoride (PF 5) have been measured for the first time in the valence and phosphorus 2p discrete regions using high-resolution (0.0-0.1 eV fwhm), dipole ( e, e) spectroscopy. Long-range data (10-300 eV) have also been obtained at lower resolution (1 eV fwhm), from which the absolute oscillator strength scale has been determined using the valence-shell Thomas-Reiche-Kuhn sum-rule. The accuracy of the present measurement has been tested using the S(-2) sum rule normalization. Evaluation of the S(-2) sum using the presently reported absolute photoabsorption oscillator strength data gives a dipole polarizabilit for PF 5 in good agreement with the experimental value. The photoionization efficiencies, photoion branching ratios, and absolute partial oscillator strengths for molecular and dissociative photoionization have also been determined for PF 5 by dipole ( e, e+ion) coincidence spectroscopy from the first ionization threshold up to and above the phosphorus 2p edge.

  1. Microscopic Shell Model Calculations for sd-Shell Nuclei

    NASA Astrophysics Data System (ADS)

    Barrett, Bruce R.; Dikmen, Erdal; Maris, Pieter; Shirokov, Andrey M.; Smirnova, Nadya A.; Vary, James P.

    Several techniques now exist for performing detailed and accurate calculations of the structure of light nuclei, i.e., A ≤ 16. Going to heavier nuclei requires new techniques or extensions of old ones. One of these is the so-called No Core Shell Model (NCSM) with a Core approach, which involves an Okubo-Lee-Suzuki (OLS) transformation of a converged NCSM result into a single major shell, such as the sd-shell. The obtained effective two-body matrix elements can be separated into core and single-particle (s.p.) energies plus residual two-body interactions, which can be used for performing standard shell-model (SSM) calculations. As an example, an application of this procedure will be given for nuclei at the beginning ofthe sd-shell.

  2. Shell Model Approach to Nuclear Level Density

    NASA Astrophysics Data System (ADS)

    Horoi, Mihai

    2000-04-01

    Nuclear level densities (NLD) are traditionally estimated using variations of Fermi Gas Formula (FGF) or combinatoric techniques. Recent investigations using Monte Carlo Shell Model (MCSM) techniques indicate that a shell model description of NLD may be an accurate and stable approach. Full shell model calculations of NLD are very difficult. We calculated the NLD for all nuclei in the sd shell and show that the results can be described by a single particle combinatoric model, which depends on two parameters similar to FGF. We further investigated other models and find that a sum of gaussians with means and variances given by French and Ratcliff averages (Phys. Rev. C 3, 94(1971)) is able to accurately describe shell model NLD, even when shell effects are present. The contribution of the spurious center-of-mass motion to the shell model NLD is also discussed.

  3. Extrapolation method in the Monte Carlo Shell Model and its applications

    SciTech Connect

    Shimizu, Noritaka; Abe, Takashi; Utsuno, Yutaka; Mizusaki, Takahiro; Otsuka, Takaharu; Honma, Michio

    2011-05-06

    We demonstrate how the energy-variance extrapolation method works using the sequence of the approximated wave functions obtained by the Monte Carlo Shell Model (MCSM), taking {sup 56}Ni with pf-shell as an example. The extrapolation method is shown to work well even in the case that the MCSM shows slow convergence, such as {sup 72}Ge with f5pg9-shell. The structure of {sup 72}Se is also studied including the discussion of the shape-coexistence phenomenon.

  4. Isothermal Circumstellar Dust Shell Model for Teaching

    ERIC Educational Resources Information Center

    Robinson, G.; Towers, I. N.; Jovanoski, Z.

    2009-01-01

    We introduce a model of radiative transfer in circumstellar dust shells. By assuming that the shell is both isothermal and its thickness is small compared to its radius, the model is simple enough for students to grasp and yet still provides a quantitative description of the relevant physical features. The isothermal model can be used in a…

  5. Isothermal Circumstellar Dust Shell Model for Teaching

    ERIC Educational Resources Information Center

    Robinson, G.; Towers, I. N.; Jovanoski, Z.

    2009-01-01

    We introduce a model of radiative transfer in circumstellar dust shells. By assuming that the shell is both isothermal and its thickness is small compared to its radius, the model is simple enough for students to grasp and yet still provides a quantitative description of the relevant physical features. The isothermal model can be used in a…

  6. Chaotic Growth with the Logistic Model of P.-F. Verhulst

    NASA Astrophysics Data System (ADS)

    Pastijn, Hugo

    Pierre-François Verhulst was born 200 years ago. After a short biography of P.-F. Verhulst in which the link with the Royal Military Academy in Brussels is emphasized, the early history of the so-called "Logistic Model" is described. The relationship with older growth models is discussed, and the motivation of Verhulst to introduce different kinds of limited growth models is presented. The (re-)discovery of the chaotic behaviour of the discrete version of this logistic model in the late previous century is reminded. We conclude by referring to some generalizations of the logistic model, which were used to describe growth and diffusion processes in the context of technological innovation, and for which the author studied the chaotic behaviour by means of a series of computer experiments, performed in the eighties of last century by means of the then emerging "micro-computer" technology.

  7. Variability in shell models of GRBs

    NASA Technical Reports Server (NTRS)

    Sumner, M. C.; Fenimore, E. E.

    1997-01-01

    Many cosmological models of gamma-ray bursts (GRBs) assume that a single relativistic shell carries kinetic energy away from the source and later converts it into gamma rays, perhaps by interactions with the interstellar medium or by internal shocks within the shell. Although such models are able to reproduce general trends in GRB time histories, it is difficult to reproduce the high degree of variability often seen in GRBs. The authors investigate methods of achieving this variability using a simplified external shock model. Since the model emphasizes geometric and statistical considerations, rather than the detailed physics of the shell, it is applicable to any theory that relies on relativistic shells. They find that the variability in GRBs gives strong clues to the efficiency with which the shell converts its kinetic energy into gamma rays.

  8. Variability in shell models of GRBs

    SciTech Connect

    Sumner, M.C.; Fenimore, E.E.

    1997-09-01

    Many cosmological models of gamma-ray bursts (GRBs) assume that a single relativistic shell carries kinetic energy away from the source and later converts it into gamma rays, perhaps by interactions with the interstellar medium or by internal shocks within the shell. Although such models are able to reproduce general trends in GRB time histories, it is difficult to reproduce the high degree of variability often seen in GRBs. The authors investigate methods of achieving this variability using a simplified external shock model. Since the model emphasizes geometric and statistical considerations, rather than the detailed physics of the shell, it is applicable to any theory that relies on relativistic shells. They find that the variability in GRBs gives strong clues to the efficiency with which the shell converts its kinetic energy into gamma rays.

  9. Differential Response of Oyster Shell Powder on Enzyme Profile and Nutritional Value of Oyster Mushroom Pleurotus florida PF05

    PubMed Central

    Naraian, Ram; Narayan, Om Prakash; Srivastava, Jatin

    2014-01-01

    Oyster mushroom Pleurotus florida was cultivated on different combinations of wheat straw (WS) as basal substrate and oyster shell powder (OSP) supplement. The OSP supplementation considerably responded to different cultivation phases. The mycelium grew fast and showed rapid growth rate (8.91 mmd−1) in WS + OSP (97 + 3) combination while WS + OSP (92 + 8) showed maximum laccase (3.133 U/g) and Mn peroxidase (MnP) activities (0.091 U/g). The climax level of laccase (5.433 U/g) and MnP (0.097 U/g) was recorded during fruit body initiation in WS + OSP (97 + 3) and WS + OSP (98 + 2) combinations, respectively. The WS + OSP (97 + 3) combination represented the best condition for mushroom cultivation and produced the highest biological efficiency (147%). In addition, protein and lipid contents in fruit bodies were slightly improved in response to OSP. The carbohydrate was significantly increased by raising concentration of OSP. The highest values of protein, carbohydrate, and lipid noted were 31.3 μg/g, 0.0639 (g/g), and 0.373 (g/g) correspondingly. Conclusively it was evident that lower concentrations of OSP acted positively and relatively to higher concentrations and improved nutritional content which may suitably be used to enhance both yield and nutritional values of mushroom. PMID:25054140

  10. Differential response of oyster shell powder on enzyme profile and nutritional value of oyster mushroom Pleurotus florida PF05.

    PubMed

    Naraian, Ram; Narayan, Om Prakash; Srivastava, Jatin

    2014-01-01

    Oyster mushroom Pleurotus florida was cultivated on different combinations of wheat straw (WS) as basal substrate and oyster shell powder (OSP) supplement. The OSP supplementation considerably responded to different cultivation phases. The mycelium grew fast and showed rapid growth rate (8.91 mmd(-1)) in WS + OSP (97 + 3) combination while WS + OSP (92 + 8) showed maximum laccase (3.133 U/g) and Mn peroxidase (MnP) activities (0.091 U/g). The climax level of laccase (5.433 U/g) and MnP (0.097 U/g) was recorded during fruit body initiation in WS + OSP (97 + 3) and WS + OSP (98 + 2) combinations, respectively. The WS + OSP (97 + 3) combination represented the best condition for mushroom cultivation and produced the highest biological efficiency (147%). In addition, protein and lipid contents in fruit bodies were slightly improved in response to OSP. The carbohydrate was significantly increased by raising concentration of OSP. The highest values of protein, carbohydrate, and lipid noted were 31.3 μg/g, 0.0639 (g/g), and 0.373 (g/g) correspondingly. Conclusively it was evident that lower concentrations of OSP acted positively and relatively to higher concentrations and improved nutritional content which may suitably be used to enhance both yield and nutritional values of mushroom.

  11. Large-scale shell-model calculations for 32-39P isotopes

    NASA Astrophysics Data System (ADS)

    Srivastava, P. C.; Hirsch, J. G.; Ermamatov, M. J.; Kota, V. K. B.

    2012-10-01

    In this work, the structure of 32-39P isotopes is described in the framework of stateof-the-art large-scale shell-model calculations, employing the code ANTOINE with three modern effective interactions: SDPF-U, SDPF-NR and the extended pairing plus quadrupole-quadrupoletype forces with inclusion of monopole interaction (EPQQM). Protons are restricted to fill the sd shell, while neutrons are active in the sd - pf valence space. Results for positive and negative level energies and electromagnetic observables are compared with the available experimental data.

  12. Thermal Dissipation Modelling and Design of ITER PF Converter Alternating Current Busbar

    NASA Astrophysics Data System (ADS)

    Guo, Bin; Song, Zhiquan; Fu, Peng; Jiang, Li; Li, Jinchao; Wang, Min; Dong, Lin

    2016-10-01

    Because the larger metallic surrounds are heated by the eddy current, which is generated by the AC current flowing through the AC busbar in the International Thermonuclear Experimental Reactor (ITER) poloidal field (PF) converter system, shielding of the AC busbar is required to decrease the temperature rise of the surrounds to satisfy the design requirement. Three special types of AC busbar with natural cooling, air cooling and water cooling busbar structure have been proposed and investigated in this paper. For each cooling scheme, a 3D finite model based on the proposed structure has been developed to perform the electromagnetic and thermal analysis to predict their operation behavior. Comparing the analysis results of the three different cooling patterns, water cooling has more advantages than the other patterns and it is selected to be the thermal dissipation pattern for the AC busbar of ITER PF converter unit. The approach to qualify the suitable cooling scheme in this paper can be provided as a reference on the thermal dissipation design of AC busbar in the converter system. supported by National Natural Science Foundation of China (No. 51407179)

  13. Layzer type models for pressure driven shells

    SciTech Connect

    Hurricane, O A

    2004-09-16

    Models for the nonlinear instability of finite thickness shells driven by pressure are constructed in the style of Layzer. Equations for both Cartesian and cylindrically convergent/divergent geometries are derived. The resulting equations are appropriate for incompressible shells with unity Atwood number. Predictions from the equations compare well with two-dimensional simulations.

  14. Layzer type models for pressure driven shells

    SciTech Connect

    Hurricane, O.A.

    2005-05-01

    Models for the nonlinear instability of finite thickness shells driven by pressure are constructed in the style of Layzer. Equations for both Cartesian and cylindrically convergent/divergent geometries are derived. The resulting equations are appropriate for incompressible shells with unity Atwood number. Predictions from the equations compare well with two-dimensional simulations.

  15. Shell Model Depiction of Isospin Mixing in sd Shell

    SciTech Connect

    Lam, Yi Hua; Smirnova, Nadya A.; Caurier, Etienne

    2011-11-30

    We constructed a new empirical isospin-symmetry breaking (ISB) Hamiltonian in the sd(1s{sub 1/2}, 0d{sub 5/2} and 0d{sub 3/2}) shell-model space. In this contribution, we present its application to two important case studies: (i){beta}-delayed proton emission from {sup 22}Al and (ii) isospin-mixing correction to superallowed 0{sup +}{yields}0{sup +}{beta}-decay ft-values.

  16. Shell-model Monte Carlo studies of neutron-rich nuclei in the 1s-0d-1p-0f shells

    NASA Astrophysics Data System (ADS)

    Dean, D. J.; Ressell, M. T.; Hjorth-Jensen, M.; Koonin, S. E.; Langanke, K.; Zuker, A. P.

    1999-05-01

    We demonstrate the feasibility of realistic shell-model Monte Carlo (SMMC) calculations spanning multiple major shells, using a realistic interaction whose bad saturation and shell properties have been corrected by a newly developed general prescription. Particular attention is paid to the approximate restoration of translational invariance. The model space consists of the full sd-pf shells. We include in the study some well-known T=0 nuclei and several unstable neutron-rich ones around N=20,28. The results indicate that SMMC calculations can reproduce binding energies, B(E2) transitions, and other observables with an interaction that is practically parameter free. Some interesting insight is gained into the nature of deep correlations. The validity of previous studies is confirmed.

  17. Full 0ħω shell model calculation of the binding energies of the 1f7/2 nuclei

    NASA Astrophysics Data System (ADS)

    Caurier, E.; Martínez-Pinedo, G.; Nowacki, F.; Poves, A.; Retamosa, J.; Zuker, A. P.

    1999-04-01

    Binding energies and other global properties of nuclei in the middle of the pf shell, such as M1, E2, and Gamow-Teller sum rules, have been obtained using a new shell model code (NATHAN) written in quasispin formalism and using a j-j-coupled basis. An extensive comparison is made with the recently available shell model Monte Carlo results using the effective interaction KB3. The binding energies for nearly all the 1f7/2 nuclei are compared with the measured (and extrapolated) results.

  18. Shell model for buoyancy-driven turbulence.

    PubMed

    Kumar, Abhishek; Verma, Mahendra K

    2015-04-01

    In this paper we present a unified shell model for stably stratified and convective turbulence. Numerical simulation of this model for stably stratified flow shows Bolgiano-Obukhbov scaling in which the kinetic energy spectrum varies as k(-11/5). The shell model of convective turbulence yields Kolmogorov's spectrum. These results are consistent with the energy flux and energy feed due to buoyancy, and are in good agreement with direct numerical simulations of Kumar et al. [Phys. Rev. E 90, 023016 (2014)].

  19. Neuroprotective effects of the MAO-B inhibitor, PF9601N, in an in vivo model of excitotoxicity.

    PubMed

    Bolea, Irene; Colivicchi, Maria Alessandra; Ballini, Chiara; Marco-Contelles, José; Tipton, Keith Francis; Unzeta, Mercedes; Della Corte, Laura

    2014-07-01

    PF9601N [N-(2-propynyl)-2-(5-benzyloxy-indolyl) methylamine] is an inhibitor of monoamine oxidase B (MAO-B), which has shown to possess neuroprotective properties in several in vitro and in vivo models of Parkinson's disease (PD). As there is evidence that excitotoxicity may be implicated in the pathophysiology of several neurodegenerative diseases, the aim of the present work was to investigate the effects of PF9601N in an acute in vivo model of excitotoxicity induced by the local administration of kainic acid during striatal microdialysis in adult rats. The basal and evoked release of neurotransmitters was monitored by HPLC analysis of microdialysate samples and tissue damage was evaluated histologically "ex vivo." PF9601N (40 mg/kg, single i.p. administration) reduced the kainate-evoked release of glutamate and aspartate and increased taurine release, but it had no effect on the release of dopamine, DOPAC, and HVA. PF9601N pretreatment also resulted in a significant reduction in the kainate-induced astrocytosis, microgliosis, and apoptosis. The results suggest PF9601N to be a good candidate for the treatment of neurodegenerative diseases mediated by excitotoxicity. © 2014 John Wiley & Sons Ltd.

  20. Numerical modeling of the voltage sensors for quench detection in the TPX TF and PF conductors

    SciTech Connect

    Wang, P.W.; Schultz, J.H.; Pillsbury, R.D. Jr.

    1995-12-31

    The voltage sensors in the TPX superconducting TF and PF magnets are designed to pick up the resistive voltage once the conductor quenches and becomes normal. This is one of the quench detection systems needed to protect the rather expensive magnets. Because the magnets are operating in a high-noise environment, the sensors would experience inductive voltages (noise). It is important to estimate the noise level and design a system with high signal to noise ratio. The numerical model described in this paper includes 3-D eddy currents assuming the worst condition, i.e., plasma disruption. The voltages induced in both parallel and helical cowound sensors are calculated. Several differencing schemes to eliminate the noise levels are compared and a new scheme is suggested.

  1. New developments of the nuclear shell model

    NASA Astrophysics Data System (ADS)

    Poves, Alfredo

    2002-04-01

    More than fifty years ago, the independent particle model of the nucleus was proposed by M. Goeppert-Mayer and H. Jensen. The label "shell model" has since changed meaning and nowadays it applies mainly to the description of the nucleus that results of the mixing of many Slater determinants by an effective "in medium" interaction, usually limited to one and two-body terms. The advent of efficient new algorithms to solve the secular problem, together with the increase in speed and storage capacity of modern computers, has brought into the reach of large scale shell model calculations entire regions of nuclei and of nuclear phenomena traditionally considered to be out of the shell model realm. This enormous extension of its field of practical applications has occurred simultaneously with a regain of experimental interest in the nuclear spectroscopy, in particular in very neutron rich and N=Z nuclei. The shell model work in large model spaces demands a very complete understanding of the effective nuclear interaction, a basic goal of the nuclear theory. Besides, the huge increase of dimensionality that occurs when many valence orbits and valence particles are involved, is a formidable challenge for both the direct diagonalization shell model codes and for the many different approximations, based most often in physically guided truncations of the full shell model basis. In this talk I aim to transmit the effervescence of the field by highlighting the most important recent advances and applications.

  2. Structure of unstable nuclei around N = 28 described by a shell model with the monopole-based universal interaction

    SciTech Connect

    Utsuno, Yutaka; Otsuka, Takaharu; Brown, B. Alex; Honma, Michio; Mizusaki, Takahiro

    2011-05-06

    The structure of exotic nuclei around N = 28 is investigated in the sd-pf shell-model space using a new effective interaction. The cross-shell part of the interaction is provided by the monopole-based universal interaction which has been successful in accounting for single-particle evolution in several mass regions. Focusing on the nuclear structure that is sensitive to the shell evolution, we show successful results for the proton-hole states in K isotopes and large deformation in {sup 42}Si. The results demonstrate that the present scheme may be a promising way for constructing an effective interaction for other mass regions.

  3. Open source integrated modeling environment Delta Shell

    NASA Astrophysics Data System (ADS)

    Donchyts, G.; Baart, F.; Jagers, B.; van Putten, H.

    2012-04-01

    In the last decade, integrated modelling has become a very popular topic in environmental modelling since it helps solving problems, which is difficult to model using a single model. However, managing complexity of integrated models and minimizing time required for their setup remains a challenging task. The integrated modelling environment Delta Shell simplifies this task. The software components of Delta Shell are easy to reuse separately from each other as well as a part of integrated environment that can run in a command-line or a graphical user interface mode. The most components of the Delta Shell are developed using C# programming language and include libraries used to define, save and visualize various scientific data structures as well as coupled model configurations. Here we present two examples showing how Delta Shell simplifies process of setting up integrated models from the end user and developer perspectives. The first example shows coupling of a rainfall-runoff, a river flow and a run-time control models. The second example shows how coastal morphological database integrates with the coastal morphological model (XBeach) and a custom nourishment designer. Delta Shell is also available as open-source software released under LGPL license and accessible via http://oss.deltares.nl.

  4. PF-04886847 (an inhibitor of plasma kallikrein) attenuates inflammatory mediators and activation of blood coagulation in rat model of lipopolysaccharide (LPS)-induced sepsis.

    PubMed

    Kolte, D; Bryant, J W; Gibson, G W; Wang, J; Shariat-Madar, Z

    2012-06-01

    The plasma kallikrein-mediated proteolysis regulates both thrombosis and inflammation. Previous study has shown that PF-04886847 is a potent and competitive inhibitor of kallikrein, suggesting that it might be useful for the treatment of kallikrein-kinin mediated inflammatory and thrombotic disorders. In the rat model of lipopolysaccharide (LPS) -induced sepsis used in this study, pretreatment of rats with PF-04886847 (1 mg/kg) prior to LPS (10 mg/kg) prevented endotoxin-induced increase in granulocyte count in the systemic circulation. PF-04886847 significantly reduced the elevated plasma 6-keto PGF1α levels in LPS treated rats, suggesting that PF-04886847 could be useful in preventing hypotensive shock during sepsis. PF-04886847 did not inhibit LPS-induced increase in plasma TNF-α level. Pretreatment of rats with PF-04886847 prior to LPS did not attenuate endotoxin-induced decrease in platelet count and plasma fibrinogen levels as well as increase in plasma D-dimer levels. PF-04886847 did not protect the animals against LPS-mediated acute hepatic and renal injury and disseminated intravascular coagulation (DIC). Since prekallikrein (the zymogen form of plasma kallikrein) deficient patients have prolonged activated partial thromboplastin time (aPTT) without having any bleeding disorder, the anti-thrombotic property and mechanism of action of PF-04886847 was assessed. In a rabbit balloon injury model designed to mimic clinical conditions of acute thrombotic events, PF-04886847 reduced thrombus mass dose-dependently. PF-04886847 (1 mg/kg) prolonged both aPTT and prothrombin time (PT) in a dose-dependent manner. Although the findings of this study indicate that PF-04886847 possesses limited anti-thrombotic and anti-inflammatory effects, PF-04886847 may have therapeutic potential in other kallikrein-kinin mediated diseases.

  5. Shell model response analysis of buried pipelines

    SciTech Connect

    Takada, Shiro; Katagiri, Shin; Shinmi, Tatsuhiko

    1995-12-31

    A shell model analysis can calculate the cross-sectional deformation and hoop stress of buried pipelines. This paper proposes an analytical method to calculate the response of buried straight and bent pipelines modeled as cylindrical shell structures. A modified transfer matrix method is employed instead of a stiffness matrix method to avoid the problem of computational memory caused by huge matrixes. Results calculated by the developed program are compared with experimental ones obtained by a pipe bending test of straight and bent pipe segments. In addition, several differences of the pipe response between the beam model and the shell model are examined through response simulations of straight and bent pipelines subjected to ground subsidence.

  6. Uncertainties in modelling and scaling of critical flows and pump model in TRAC-PF1/MOD1

    SciTech Connect

    Rohatgi, U.S.; Yu, Wen-Shi

    1987-01-01

    The USNRC has established a Code Scalability, Applicability and Uncertainty (CSAU) evaluation methodology to quantify the uncertainty in the prediction of safety parameters by the best estimate codes. These codes can then be applied to evaluate the Emergency Core Cooling System (ECCS). The TRAC-PF1/MOD1 version was selected as the first code to undergo the CSAU analysis for LBLOCA applications. It was established through this methodology that break flow and pump models are among the top ranked models in the code affecting the peak clad temperature (PCT) prediction for LBLOCA. The break flow model bias or discrepancy and the uncertainty were determined by modelling the test section near the break for 12 Marviken tests. It was observed that the TRAC-PF1/MOD1 code consistently underpredicts the break flow rate and that the prediction improved with increasing pipe length (larger L/D). This is true for both subcooled and two-phase critical flows. A pump model was developed from Westinghouse (1/3 scale) data. The data represent the largest available test pump relevant to Westinghouse PWRs. It was then shown through the analysis of CE and CREARE pump data that larger pumps degrade less and also that pumps degrade less at higher pressures. Since the model developed here is based on the 1/3 scale pump and on low pressure data, it is conservative and will overpredict the degradation when applied to PWRs.

  7. Shell model for buoyancy-driven turbulence

    NASA Astrophysics Data System (ADS)

    Kumar, Abhishek; Verma, Mahendra K.

    2015-04-01

    In this paper we present a unified shell model for stably stratified and convective turbulence. Numerical simulation of this model for stably stratified flow shows Bolgiano-Obukhbov scaling in which the kinetic energy spectrum varies as k-11 /5. The shell model of convective turbulence yields Kolmogorov's spectrum. These results are consistent with the energy flux and energy feed due to buoyancy, and are in good agreement with direct numerical simulations of Kumar et al. [Phys. Rev. E 90, 023016 (2014), 10.1103/PhysRevE.90.023016].

  8. Retention Models on Core-Shell Columns.

    PubMed

    Jandera, Pavel; Hájek, Tomáš; Růžičková, Marie

    2017-07-13

    A thin, active shell layer on core-shell columns provides high efficiency in HPLC at moderately high pressures. We revisited three models of mobile phase effects on retention for core-shell columns in mixed aqueous-organic mobile phases: linear solvent strength and Snyder-Soczewiński two-parameter models and a three-parameter model. For some compounds, two-parameter models show minor deviations from linearity due to neglect of possible minor retention in pure weak solvent, which is compensated for in the three-parameter model, which does not explicitly assume either the adsorption or the partition retention mechanism in normal- or reversed-phase systems. The model retention equation can be formulated as a function of solute retention factors of nonionic compounds in pure organic solvent and in pure water (or aqueous buffer) and of the volume fraction of an either aqueous or organic solvent component in a two-component mobile phase. With core-shell columns, the impervious solid core does not participate in the retention process. Hence, the thermodynamic retention factors, defined as the ratio of the mass of the analyte mass contained in the stationary phase to its mass in the mobile phase in the column, should not include the particle core volume. The values of the thermodynamic factors are lower than the retention factors determined using a convention including the inert core in the stationary phase. However, both conventions produce correct results if consistently used to predict the effects of changing mobile phase composition on retention. We compared three types of core-shell columns with C18-, phenyl-hexyl-, and biphenyl-bonded phases. The core-shell columns with phenyl-hexyl- and biphenyl-bonded ligands provided lower errors in two-parameter model predictions for alkylbenzenes, phenolic acids, and flavonoid compounds in comparison with C18-bonded ligands.

  9. Regularity of inviscid shell models of turbulence

    NASA Astrophysics Data System (ADS)

    Constantin, Peter; Levant, Boris; Titi, Edriss S.

    2007-01-01

    In this paper we continue the analytical study of the sabra shell model of energy turbulent cascade. We prove the global existence of weak solutions of the inviscid sabra shell model, and show that these solutions are unique for some short interval of time. In addition, we prove that the solutions conserve energy, provided that the components of the solution satisfy ∣un∣≤Ckn-1/3[nlog(n+1)]-1 for some positive absolute constant C , which is the analog of the Onsager’s conjecture for the Euler’s equations. Moreover, we give a Beal-Kato-Majda type criterion for the blow-up of solutions of the inviscid sabra shell model and show the global regularity of the solutions in the “two-dimensional” parameters regime.

  10. TRAC-PF1 LOCA calculations using fine-node and coarse-node input models

    SciTech Connect

    Dobranich, D.; Buxton, L.D.; Wong, C.N.C.

    1985-05-01

    TRAC-PF1 calculations of a 200% cold-leg break LOCA have been completed for a UHI (upper head injection accumulator) plant using both fine-node (with 776 mesh cells) and coarse-node (with 320 mesh cells) input models. This study was performed to determine the effect of noding on predicted results and on computer running time. It was found that the overall sequence of events and the important trends of the transient were predicted to be nearly the same with both the fine-node and coarse-node models. There were differences in the time-dependent behavior of the cold-leg accumulator injection, and the predicted PCT for the coarse-node calculation was about 75 K less than that for the fine-node calculation. The higher PCT of the fine-node calculation is attributed primarily to three-dimensional flow effects in the core. The complete (steady state plus transient) coarse-node calculation required 13.5 hours of CYBER 76 computer time compared to 68.3 hours for the fine node calculation, yielding an overall factor of five decrease in running time. Thus, we conclude that for any large break LOCA analyses in which only the overall trends are of concern, the loss of accuracy resulting from use of such a coarse-node model will normally be inconsequential compared to the savings in resources that are realized. However, if the objective of the analyses is the investigation of the effects of multi-dimensional flows on clad temperatures, then a detailed model is required.

  11. Quasiclassical model of ion shell structure

    SciTech Connect

    Dyachkov, K.G.; Pankratov, P.M.

    1993-12-01

    An effective potential of the nl-electrons in atoms or ions obtained from the well-known screened hydrogenlike potential model is used to calculate ionization energies in the quasiclassical approximation. The method is suitable for the inner and outer shells of the ground and excited states. We consider here the outer shells of the lighter element ions. The approach yields good results for multicharged ions as well as for the weakly ionized s subshells and for less-than-half-filled p subshells. 18 refs., 1 fig., 2 tabs.

  12. Shape coexistence: the shell model view

    NASA Astrophysics Data System (ADS)

    Poves, A.

    2016-02-01

    We shall discuss the meaning of the ‘nuclear shape’ in the laboratory frame proper to the spherical shell model. A brief historical promenade will bring us from Elliott’s SU3 breakthrough to today’s large scale shell model calculations. A section is devoted to the algebraic model which extends drastically the field of applicability of Elliot’s SU3, providing a precious heuristic guidance for the exploration of collectivity in the nuclear chart. Shape coexistence and shape mixing will be shown to occur as the result of the competition between the main actors in the nuclear dynamics; the spherical mean field, and the pairing and quadrupole-quadrupole interactions. These ideas will be illustrated with examples in magic nuclei (40Ca and 68Ni); neutron rich semi-magic (32Mg, and 64Cr); and in proton rich N = Z (72Kr).

  13. Delta Shell: Integrated Modeling by Example

    NASA Astrophysics Data System (ADS)

    Donchyts, G.; Jagers, B.; Baart, F.; Geer, P. V.

    2011-12-01

    We present the integrated modeling environment Delta Shell. It supports the full workflow of integrated environmental modeling: setup, configuration, simulation, analysis and reporting of results. Many components of the environment can be reused independently, allowing development of scientific, geospatial and other applications focused on data analysis, editing, visualization and storage. One of the unique features is that the Delta Shell environment integrates models from many different fields, such as hydrodynamics, hydrology, morphology, ecology, water quality, geospatial and decision support systems. This integration is possible due to flexible general data types, lightweight model coupling framework, the plugin system and the inclusion of a number of high quality open source components. Here we will use the open source morphological model XBeach as an example showing how to integrate models into the Delta Shell environment. Integration of XBeach adds a graphical interface which can be used to make testing coastal safety for complicated coastal areas easier. By using this example, we give an overview of the modeling framework and its possibilities. To increase the usability, the model is integrated with a coastal profile data set covering the whole coast of the Netherlands. This gives the end user a system to easily use the model for scanning the safety of the Dutch coast. The reuse of the components of the environment individually or combined is encouraged. They are available as separate components and have minimal or no dependencies on other components. This includes libraries to work with scientific multidimensional data, geospatial data (in particular geospatial coverages: values of some quantities defined on a spatial domain), editors, visualisation of time-dependent data and the modeling framework (projects, data linking, workflow management, model integration). Most components and the XBeach example are available as open source.

  14. Validating Finite Element Models of Assembled Shell Structures

    NASA Technical Reports Server (NTRS)

    Hoff, Claus

    2006-01-01

    The validation of finite element models of assembled shell elements is presented. The topics include: 1) Problems with membrane rotations in assembled shell models; 2) Penalty stiffness for membrane rotations; 3) Physical stiffness for membrane rotations using shell elements with 6 dof per node; and 4) Connections avoiding rotations.

  15. Symmetries and deformations in the spherical shell model

    NASA Astrophysics Data System (ADS)

    Van Isacker, P.; Pittel, S.

    2016-02-01

    We discuss symmetries of the spherical shell model that make contact with the geometric collective model of Bohr and Mottelson. The most celebrated symmetry of this kind is SU(3), which is the basis of Elliott’s model of rotation. It corresponds to a deformed mean field induced by a quadrupole interaction in a single major oscillator shell N and can be generalized to include several major shells. As such, Elliott’s SU(3) model establishes the link between the spherical shell model and the (quadrupole component of the) geometric collective model. We introduce the analogue symmetry induced by an octupole interaction in two major oscillator shells N-1 and N, leading to an octupole-deformed solution of the spherical shell model. We show that in the limit of large oscillator shells, N\\to ∞ , the algebraic octupole interaction tends to that of the geometric collective model.

  16. Shell Model Description of the Decay Out of the Superdeformed Band of {sup 36}Ar

    SciTech Connect

    Caurier, E.; Nowacki, F.

    2005-07-22

    Large scale shell model calculations in the valence space spanned by two major oscillator shells (sd and pf) describe simultaneously the superdeformed excited band of {sup 36}Ar and its spherical ground state. We explain the appearance of this superdeformed band at low excitation energy as a consequence of the very large quadrupole correlation energy of the configurations with many particles and many holes (np-nh) relative to the normal filling of the spherical mean field orbits (0p-0h). We study the mechanism of mixing between the different configurations to understand why the superdeformed band survives and how it finally decays into the low-lying spherical states via the indirect mixing of the 0p-0h and 4p-4h configurations.

  17. No-Core Shell Model and Reactions

    SciTech Connect

    Navratil, Petr; Ormand, W. Erich; Caurier, Etienne; Bertulani, Carlos

    2005-10-14

    There has been a significant progress in ab initio approaches to the structure of light nuclei. Starting from realistic two- and three-nucleon interactions the ab initio no-core shell model (NCSM) can predict low-lying levels in p-shell nuclei. It is a challenging task to extend ab initio methods to describe nuclear reactions. In this contribution, we present a brief overview of the NCSM with examples of recent applications as well as the first steps taken toward nuclear reaction applications. In particular, we discuss cross section calculations of p+6Li and 6He+p scattering as well as a calculation of the astrophysically important 7Be(p,{gamma})8B S-factor.

  18. No-Core Shell Model and Reactions

    SciTech Connect

    Navratil, P; Ormand, W E; Caurier, E; Bertulani, C

    2005-04-29

    There has been a significant progress in ab initio approaches to the structure of light nuclei. Starting from realistic two- and three-nucleon interactions the ab initio no-core shell model (NCSM) can predict low-lying levels in p-shell nuclei. It is a challenging task to extend ab initio methods to describe nuclear reactions. In this contribution, we present a brief overview of the NCSM with examples of recent applications as well as the first steps taken toward nuclear reaction applications. In particular, we discuss cross section calculations of p+{sup 6}Li and {sup 6}He+p scattering as well as a calculation of the astrophysically important {sup 7}Be(p, {gamma}){sup 8}B S-factor.

  19. Shell model for warm rotating nuclei

    SciTech Connect

    Matsuo, M.; Yoshida, K.; Dossing, T.

    1996-12-31

    Utilizing a shell model which combines the cranked Nilsson mean-field and the residual surface and volume delta two-body forces, the authors discuss the onset of rotational damping in normal- and super-deformed nuclei. Calculation for a typical normal deformed nucleus {sup 168}Yb indicates that the rotational damping sets in at around 0.8 MeV above the yrast line, and about 30 rotational bands of various length exists at a given rotational frequency, in overall agreement with experimental findings. It is predicted that the onset of rotational damping changes significantly in different superdeformed nuclei due to the variety of the shell gaps and single-particle orbits associated with the superdeformed mean-field.

  20. Improved Shell models for screened Coulomb balls

    NASA Astrophysics Data System (ADS)

    Bonitz, M.; Kaehlert, H.; Henning, C.; Baumgartner, H.; Filinov, A.

    2006-10-01

    Spherical Coulomb crystals in dusty plasmas [1] are well described by an isotropic Yukawa-type pair interaction and an external parabolic confinement as was shown by extensive molecular dynamics simulations [2]. A much simpler description is possible with analytical shell models which have been derived for Yukawas plasmas in [3,4]. Here we analyze improved Yukawa shell models which include correlations along the lines proposed for Coulomb crystals in [5]. The shell configurations are efficiently evaluated using a Monte Carlo procedure. [1] O. Arp, A. Piel and A. Melzer, Phys. Rev. Lett. 93, 165004 (2004). [2] M. Bonitz, D. Block, O. Arp, V. Golunychiy, H. Baumgartner, P. Ludwig, A. Piel and A. Filinov, Phys. Rev. Lett. 96, 075001 (2006). [3] H. Totsuji, C. Totsuji, T. Ogawa, and K. Tsuruta, Phys. Rev. E 71, 045401 (2005). [4] C. Henning, M. Bonitz, A. Piel, P. Ludwig, H. Baumgartner, V. Golubnichiy, and D. Block, submitted to Phys. Rev. E [5] W.D. Kraeft and M. Bonitz, J. Phys. Conf. Ser. 35, 94 (2006).

  1. TPX Poloidal Field (PF) power systems simulation

    SciTech Connect

    Lu, E.; Bronner, G.; Neumeyer, C.

    1993-11-01

    This paper describes the modeling and simulation of the PF power system for the Tokamak Physics Experiment (TPX), which is required to supply pulsed DC current to the Poloidal Field (PF) superconducting coil system. An analytical model was developed to simulate the dynamics of the PF power system for any PF current scenario and thereby provide the basis for selection of PF circuit topology, in support of the major design goal of optimizing the use of the existing Tokamak Fusion Test Reactor (TFTR) facilities at the Princeton Plasma Physics Lab (PPPL).

  2. SHELLS: A thin-shell program for modeling neotectonics of regional or global lithosphere with faults

    SciTech Connect

    Kong, X.; Bird, P.

    1995-11-10

    This report discusses a geophysical computer program called SHELLS, which model neotectonics of regional or global lithosphere with faults. This model is based on spherical shell elements which uses isostacy and vertical integration of lithospheric strength to reduce this to a two-dimensional problem.

  3. Shell model states in the continuum

    NASA Astrophysics Data System (ADS)

    Shirokov, A. M.; Mazur, A. I.; Mazur, I. A.; Vary, J. P.

    2016-12-01

    We suggest a method for calculating scattering phase shifts and energies and widths of resonances which utilizes only eigenenergies obtained in variational calculations with oscillator basis and their dependence on oscillator basis spacing ℏ Ω . We make use of simple expressions for the S matrix at eigenstates of a finite (truncated) Hamiltonian matrix in the oscillator basis obtained in the HORSE (J -matrix) formalism of quantum scattering theory. The validity of the suggested approach is verified in calculations with model Woods-Saxon potentials and applied to calculations of n α resonances and nonresonant scattering using the no-core shell model.

  4. Multi-shell effective interactions

    NASA Astrophysics Data System (ADS)

    Tsunoda, Naofumi; Takayanagi, Kazuo; Hjorth-Jensen, Morten; Otsuka, Takaharu

    2014-02-01

    Background: Effective interactions, either derived from microscopic theories or based on fitting selected properties of nuclei in specific mass regions, are widely used inputs to shell-model studies of nuclei. The commonly used unperturbed basis functions are given by the harmonic oscillator. Until recently, most shell-model calculations have been confined to a single oscillator shell like the sd shell or the pf shell. Recent interest in nuclei away from the stability line requires, however, larger shell-model spaces. Because the derivation of microscopic effective interactions has been limited to degenerate models spaces, there are both conceptual and practical limits to present shell-model calculations that utilize such interactions. Purpose: The aim of this work is to present a novel microscopic method to calculate effective nucleon-nucleon interactions for the nuclear shell model. Its main difference from existing theories is that it can be applied not only to degenerate model spaces but also to nondegenerate model spaces. This has important consequences, in particular for intershell matrix elements of effective interactions. Methods: The formalism is presented in the form of a many-body perturbation theory based on the recently developed extended Kuo-Krenciglowa method. Our method enables us to microscopically construct effective interactions not only in one oscillator shell but also for several oscillator shells. Results: We present numerical results using effective interactions within (i) a single oscillator shell (a so-called degenerate model space) like the sd shell or the pf shell and (ii) two major shells (nondegenerate model space) like the sdf7p3 shell or the pfg9 shell. We also present energy levels of several nuclei that have two valence nucleons on top of a given closed-shell core. Conclusions: Our results show that the present method works excellently in shell-model spaces that comprise several oscillator shells, as well as in a single oscillator

  5. An investigation of ab initio shell-model interactions derived by no-core shell model

    NASA Astrophysics Data System (ADS)

    Wang, XiaoBao; Dong, GuoXiang; Li, QingFeng; Shen, CaiWan; Yu, ShaoYing

    2016-09-01

    The microscopic shell-model effective interactions are mainly based on the many-body perturbation theory (MBPT), the first work of which can be traced to Brown and Kuo's first attempt in 1966, derived from the Hamada-Johnston nucleon-nucleon potential. However, the convergence of the MBPT is still unclear. On the other hand, ab initio theories, such as Green's function Monte Carlo (GFMC), no-core shell model (NCSM), and coupled-cluster theory with single and double excitations (CCSD), have made many progress in recent years. However, due to the increasing demanding of computing resources, these ab initio applications are usually limited to nuclei with mass up to A = 16. Recently, people have realized the ab initio construction of valence-space effective interactions, which is obtained through a second-time renormalization, or to be more exactly, projecting the full-manybody Hamiltonian into core, one-body, and two-body cluster parts. In this paper, we present the investigation of such ab initio shell-model interactions, by the recent derived sd-shell effective interactions based on effective J-matrix Inverse Scattering Potential (JISP) and chiral effective-field theory (EFT) through NCSM. In this work, we have seen the similarity between the ab initio shellmodel interactions and the interactions obtained by MBPT or by empirical fitting. Without the inclusion of three-body (3-bd) force, the ab initio shell-model interactions still share similar defects with the microscopic interactions by MBPT, i.e., T = 1 channel is more attractive while T = 0 channel is more repulsive than empirical interactions. The progress to include more many-body correlations and 3-bd force is still badly needed, to see whether such efforts of ab initio shell-model interactions can reach similar precision as the interactions fitted to experimental data.

  6. Modelling of human leucyl aminopeptidases for in silico off target binding analysis of potential Plasmodium falciparum leucine aminopeptidase (PfA-M17) specific inhibitors.

    PubMed

    Sahi, Shakti; Raj, Utkarsh; Chaudhary, Meenakshi; Nain, Vikrant

    2014-01-01

    Malaria is one of the most widespread infectious diseases in the world. Emergence of multi-drug resistant Plasmodium strains makes it crucial to identify new classes of compounds for anti-malarial therapy. Novel anti-malarial compounds from natural sources (Gomphostema niveum) as well as synthetic chemicals (5-aminolevulinic acid) have been reported in recent patents. Plasmodium falciparum leucyl aminopeptidase (PfA-M17) is a validated target for antimalarial drug development. However, known aminopeptidase inhibitors beset with the problem of non-specificity. Therefore, 3D structural models of PfA-M17 human homologs, Leucine aminopeptidase3 (hLAP3) and probable leucine aminopeptidase (hNPEPL1) were predicted for molecular docking based screening of potential inhibitors for their off target activity. Comparison of IC50 and docking scores of highly active hLAP3 inhibitors shows good correlation (r(2)≈ 0.8). Further, docking analysis with potential PfA-M17 inhibitor Compound-X (identified through virtual screening) shows much higher binding affinity towards PfA-M17 (docking score -11.44) than hLAP3 (docking score -4.26) and hNPEPL1 (docking score -5.08). This lead compound, Compound-X can act as a scaffold for further increasing PfA-M17 binding affinity and hLAP3 and hNPEPL1 3D structure models will be useful for screening of PfA-M17 specific inhibitors.

  7. Coexistence of spherical states with deformed and superdeformed bands in doubly magic {sup 40}Ca: A shell-model challenge

    SciTech Connect

    Caurier, E.; Nowacki, F.

    2007-05-15

    Large-scale shell-model calculations, with dimensions reaching 10{sup 9}, are carried out to describe the recently observed deformed (ND) and superdeformed (SD) bands based on the first and second excited 0{sup +} states of {sup 40}Ca at 3.35 and 5.21 MeV, respectively. A valence space comprising two major oscillator shells, sd and pf, can accommodate most of the relevant degrees of freedom of this problem. The ND band is dominated by configurations with four particles promoted to the pf shell (4p-4h in short). The SD band by 8p-8h configurations. The ground state of {sup 40}Ca is strongly correlated, but the closed shell still amounts to 65%. The energies of the bands are very well reproduced by the calculations. The out-band transitions connecting the SD band with other states are very small and depend on the details of the mixing among the different np-nh configurations; in spite of that, the calculation describes them reasonably. For the in-band transition probabilities along the SD band, we predict a fairly constant transition quadrupole moment Q{sub 0}(t){approx}170 e fm{sup 2} up to J=10 that decreases toward the higher spins. We submit also that the J=8 states of the deformed and superdeformed bands are maximally mixed.

  8. Multiscaling in superfluid turbulence: A shell-model study.

    PubMed

    Shukla, Vishwanath; Pandit, Rahul

    2016-10-01

    We examine the multiscaling behavior of the normal- and superfluid-velocity structure functions in three-dimensional superfluid turbulence by using a shell model for the three-dimensional (3D) Hall-Vinen-Bekharevich-Khalatnikov (HVBK) equations. Our 3D-HVBK shell model is based on the Gledzer-Okhitani-Yamada shell model. We examine the dependence of the multiscaling exponents on the normal-fluid fraction and the mutual-friction coefficients. Our extensive study of the 3D-HVBK shell model shows that the multiscaling behavior of the velocity structure functions in superfluid turbulence is more complicated than it is in fluid turbulence.

  9. Reduced Shell Model Calculations of 106Sb and 108Sb

    SciTech Connect

    Dikmen, Erdal

    2007-04-23

    The reduced shell model calculations have been done for the odd-odd 106Sb and 108Sb isotopes. The model space has been chosen as 1d5/2, 0g7/2, 1d3/2, 2s1/2 for the reduced calculations and included 0h11/2 for the full calculations. The reduced shell model calculations of 108Sb isotope are presented for the first time. The calculated energy spectra are compared to the experimental results to understand which model space is the best for the shell model calculations around N = Z = 50 region of the periodic table. This is the extention of the study that whether the reduced shell model calculations are capable of reproducing the experimental results for the nuclei whose shell model calculations can be carried out in the full model space.

  10. Shell model the Monte Carlo way

    SciTech Connect

    Ormand, W.E.

    1995-03-01

    The formalism for the auxiliary-field Monte Carlo approach to the nuclear shell model is presented. The method is based on a linearization of the two-body part of the Hamiltonian in an imaginary-time propagator using the Hubbard-Stratonovich transformation. The foundation of the method, as applied to the nuclear many-body problem, is discussed. Topics presented in detail include: (1) the density-density formulation of the method, (2) computation of the overlaps, (3) the sign of the Monte Carlo weight function, (4) techniques for performing Monte Carlo sampling, and (5) the reconstruction of response functions from an imaginary-time auto-correlation function using MaxEnt techniques. Results obtained using schematic interactions, which have no sign problem, are presented to demonstrate the feasibility of the method, while an extrapolation method for realistic Hamiltonians is presented. In addition, applications at finite temperature are outlined.

  11. Breakup of finite thickness viscous shell microbubbles by ultrasound: A simplified zero-thickness shell model

    PubMed Central

    Hsiao, Chao-Tsung; Chahine, Georges L.

    2013-01-01

    A simplified three-dimensional (3-D) zero-thickness shell model was developed to recover the non-spherical response of thick-shelled encapsulated microbubbles subjected to ultrasound excitation. The model was validated by comparison with previously developed models and was then used to study the mechanism of bubble break-up during non-spherical deformations resulting from the presence of a nearby rigid boundary. The effects of the shell thickness and the bubble standoff distance from the solid wall on the bubble break-up were studied parametrically for a fixed insonification frequency and amplitude. A diagram of bubble shapes versus the normalized shell thickness and wall standoff was derived, and the potential bubble shapes at break-up from reentrant jets were categorized resulting in four distinct zones. PMID:23556560

  12. Ground state energy fluctuations in the nuclear shell model

    NASA Astrophysics Data System (ADS)

    Velázquez, Víctor; Hirsch, Jorge G.; Frank, Alejandro; Barea, José; Zuker, Andrés P.

    2005-05-01

    Statistical fluctuations of the nuclear ground state energies are estimated using shell model calculations in which particles in the valence shells interact through well-defined forces, and are coupled to an upper shell governed by random 2-body interactions. Induced ground-state energy fluctuations are found to be one order of magnitude smaller than those previously associated with chaotic components, in close agreement with independent perturbative estimates based on the spreading widths of excited states.

  13. Modelling of the collision of two viscoelastic spherical shells

    NASA Astrophysics Data System (ADS)

    Rossikhin, Yury A.; Shitikova, Marina V.; Manh, Duong Tuan

    2016-11-01

    In the present paper, the collision of two viscoelastic spherical shells is investigated using the wave theory of impact. The model developed here suggests that after the moment of impact quasi-longitudinal and quasi-transverse shock waves are generated, which then propagate along the spherical shells. The solution behind the wave fronts is constructed with the help of the theory of discontinuities. Since the local bearing of the materials of the colliding viscoelastic shells is taken into account, the solution in the contact domain is found via the modified Hertz contact theory involving the operator representation of viscoelastic analogs of Young's modulus and Poisson's ratio. The collision of two elastic spherical shells is considered first, and then using Volterra correspondence principle, according to which the elastic constants in the governing equations should be replaced by the corresponding viscoelastic operators, the solution obtained for elastic shells is extended over the case of viscoelastic shells.

  14. Shell Model Estimate of Electric Dipole Moments for Xe Isotopes

    NASA Astrophysics Data System (ADS)

    Teruya, Eri; Yoshinaga, Naotaka; Higashiyama, Koji

    The nuclear Schiff moments of Xe isotopes which induce electric dipole moments of neutral Xe atoms is theoretically estimated. Parity and time-reversal violating two-body nuclear interactions are assumed. The nuclear wave functions are calculated in terms of the nuclear shell model. Influences of core excitations on the Schiff moments in addition to the over-shell excitations are discussed.

  15. Shell model description of band structure in 48Cr

    SciTech Connect

    Vargas, Carlos E.; Velazquez, Victor M.

    2007-02-12

    The band structure for normal and abnormal parity bands in 48Cr are described using the m-scheme shell model. In addition to full fp-shell, two particles in the 1d3/2 orbital are allowed in order to describe intruder states. The interaction includes fp-, sd- and mixed matrix elements.

  16. Ab initio no core shell model

    SciTech Connect

    Barrett, Bruce R.; Navrátil, Petr; Vary, James P.

    2012-11-17

    A long-standing goal of nuclear theory is to determine the properties of atomic nuclei based on the fundamental interactions among the protons and neutrons (i.e., nucleons). By adopting nucleon-nucleon (NN), three-nucleon (NNN) and higher-nucleon interactions determined from either meson-exchange theory or QCD, with couplings fixed by few-body systems, we preserve the predictive power of nuclear theory. This foundation enables tests of nature's fundamental symmetries and offers new vistas for the full range of complex nuclear phenomena. Basic questions that drive our quest for a microscopic predictive theory of nuclear phenomena include: (1) What controls nuclear saturation; (2) How the nuclear shell model emerges from the underlying theory; (3) What are the properties of nuclei with extreme neutron/proton ratios; (4) Can we predict useful cross sections that cannot be measured; (5) Can nuclei provide precision tests of the fundamental laws of nature; and (6) Under what conditions do we need QCD to describe nuclear structure, among others. Along with other ab initio nuclear theory groups, we have pursued these questions with meson-theoretical NN interactions, such as CD-Bonn and Argonne V18, that were tuned to provide high-quality descriptions of the NN scattering phase shifts and deuteron properties. We then add meson-theoretic NNN interactions such as the Tucson-Melbourne or Urbana IX interactions. More recently, we have adopted realistic NN and NNN interactions with ties to QCD. Chiral perturbation theory within effective field theory ({chi}EFT) provides us with a promising bridge between QCD and hadronic systems. In this approach one works consistently with systems of increasing nucleon number and makes use of the explicit and spontaneous breaking of chiral symmetry to expand the strong interaction in terms of a dimensionless constant, the ratio of a generic small momentum divided by the chiral symmetry breaking scale taken to be about 1 GeV/c. The resulting NN

  17. Removal of Arsenic in Drinking Water Kinetico Inc. and Alcan Chemicals Para-Flo™ PF60 Model AA08AS with Actiguard AAFS50

    EPA Science Inventory

    Testing of the Kinetico Inc. and Alean Chemicals Para-FloTM PF60 Model AA08AS with Actiguard AAFS50 arsenic adsorption media filter system was conducted at the Orchard Hills Mobile Home Park (MHP) Water Treatment Plant (WTP) in Carroll Township, Pennsylvania. The source water,...

  18. Removal of Arsenic in Drinking Water Kinetico Inc. and Alcan Chemicals Para-Flo™ PF60 Model AA08AS with Actiguard AAFS50

    EPA Science Inventory

    Testing of the Kinetico Inc. and Alean Chemicals Para-FloTM PF60 Model AA08AS with Actiguard AAFS50 arsenic adsorption media filter system was conducted at the Orchard Hills Mobile Home Park (MHP) Water Treatment Plant (WTP) in Carroll Township, Pennsylvania. The source water,...

  19. Use of modelling and simulation techniques to support decision making on the progression of PF-04878691, a TLR7 agonist being developed for hepatitis C.

    PubMed

    Jones, Hannah M; Chan, Phylinda L S; van der Graaf, Piet H; Webster, Robert

    2012-01-01

    To use non-linear mixed effects modelling and simulation techniques to predict whether PF-04878691, a toll-like receptor 7 (TLR7) agonist, would produce sufficient antiviral efficacy while maintaining an acceptable side effect profile in a 'proof of concept' (POC) study in chronic hepatitis C (HCV) patients. A population pharmacokinetic-pharmacodynamic (PKPD) model was developed using available 'proof of pharmacology' (POP) clinical data to describe PF-04878691 pharmacokinetics (PK) and its relationship to 2',5'-oligoadenylate synthetase (OAS; marker of pharmacology) and lymphocyte levels (marker of safety) following multiple doses in healthy subjects. A second model was developed to describe the relationship between change from baseline OAS expressed as fold change and HCV viral RNA concentrations using clinical data available in HCV patients for a separate compound, CPG-10101 (ACTILON™), a TLR9 agonist. Using these models the antiviral efficacy and safety profiles of PF-04878691 were predicted in HCV patients. The population PKPD models described well the clinical data as assessed by visual inspection of diagnostic plots, visual predictive checks and precision of the parameter estimates. Using these relationships, PF-04878691 exposure and HCV viral RNA concentration was simulated in HCV patients receiving twice weekly administration for 4 weeks over a range of doses. The simulations indicated that significant reductions in HCV viral RNA concentrations would be expected at doses > 6 mg. However at these doses grade ≥ 3 lymphopenia was also predicted. The model simulations indicate that PF-04878691 is unlikely to achieve POC criteria and support the discontinuation of this compound for the treatment of HCV. © 2011 The Authors. British Journal of Clinical Pharmacology © 2011 The British Pharmacological Society.

  20. CFD modelling of shell-side asphaltenes deposition in a shell and tube heat exchanger

    NASA Astrophysics Data System (ADS)

    Emani, Sampath; Ramasamy, M.; Shaari, Ku Zilati Ku

    2017-07-01

    Asphaltenes are identified as the main cause of crude oil fouling in the shell and tube exchangers. There are occasions where the crude oil flows through the shell side of the heat exchangers and some fouling is reported in the shell side of those heat exchangers. Understanding the fouling phenomena in the shell sides requires the knowledge on the irregular fluid flow paths and most susceptible locations of particles deposition. In the present work, an attempt has been made to investigate the effect of shear stress and surface roughness on shell-side asphaltenes deposition in a shell and tube heat exchanger through Computational Fluid Dynamics approach. The hydrodynamics of asphaltenes particles and the effect of various forces on the asphaltenes deposition on the heat transfer surfaces has been investigated through a Lagrangian based discrete-phase model. From the CFD analysis, the net mass deposition of the asphaltenes particles reduces with an increase in surface roughness from 0 to 0.04 mm and wall shear stress from 0 to 0.04 Pa for flow velocity 1 m/s, respectively. The asphaltenes mass deposition becomes constant with further increase in wall shear stress and surface roughness.

  1. An Orally Available Small-Molecule Inhibitor of c-Met, PF-2341066, Reduces Tumor Burden and Metastasis in a Preclinical Model of Ovarian Cancer Metastasis1

    PubMed Central

    Zillhardt, Marion; Christensen, James G; Lengyel, Ernst

    2010-01-01

    Deregulated expression of the hepatocyte growth factor (HGF) receptor, c-Met, in cancer contributes to tumor progression and metastasis. The objective of this study was to determine whether blocking c-Met with an orally available c-Met inhibitor, PF-2341066, reduces tumor burden and increases survival in a xenograft model of ovarian cancer metastasis. Treatment of mice injected interperitoneally with SKOV3ip1 cells showed reduced overall tumor burden. Tumor weight and the number of metastases were reduced by 55% (P < .0005) and 62% (P < .0001), respectively. Treatment also increased median survival from 45 to 62 days (P = .0003). In vitro, PF-2341066 reduced HGF-stimulated phosphorylation of c-Met in the tyrosine kinase domain as well as phosphorylation of the downstream signaling effectors, Akt and Erk. It was apparent that inhibition of the pathways was functionally important because HGF-induced branching morphogenesis was also inhibited. In addition, proliferation and adhesion to various extracellular matrices were inhibited by treatment with PF-2341066, and the activity of matrix metalloproteinases was decreased in tumor tissue from treated mice compared with those receiving vehicle. Overall, these data indicate that PF-2341066 effectively reduces tumor burden in an in vivo model of ovarian cancer metastasis and may be a good therapeutic candidate in the treatment of patients with ovarian cancer. PMID:20072648

  2. Atomic-level models of the bacterial carboxysome shell

    SciTech Connect

    Tanaka, S.; Kerfeld, C.A.; Sawaya, M.R.; Cai, F.; Heinhorst, S.; Cannon, G.C.; Yeates, T.O.

    2008-06-03

    The carboxysome is a bacterial microcompartment that functions as a simple organelle by sequestering enzymes involved in carbon fixation. The carboxysome shell is roughly 800 to 1400 angstroms in diameter and is assembled from several thousand protein subunits. Previous studies have revealed the three-dimensional structures of hexameric carboxysome shell proteins, which self-assemble into molecular layers that most likely constitute the facets of the polyhedral shell. Here, we report the three-dimensional structures of two proteins of previously unknown function, CcmL and OrfA (or CsoS4A), from the two known classes of carboxysomes, at resolutions of 2.4 and 2.15 angstroms. Both proteins assemble to form pentameric structures whose size and shape are compatible with formation of vertices in an icosahedral shell. Combining these pentamers with the hexamers previously elucidated gives two plausible, preliminary atomic models for the carboxysome shell.

  3. Spherical shell model description of rotational motion

    NASA Astrophysics Data System (ADS)

    Zuker, A. P.; Retamosa, J.; Poves, A.; Caurier, E.

    1995-10-01

    Exact diagonalizations with a realistic interaction show that configurations with four neutrons in a major shell and four protons in another-or the same-major shell, behave systematically as backbending rotors. The dominance of the q.q component of the interaction is related to an approximate ``quasi-SU3'' symmetry. It is suggested that the onset of rotational motion in the rare earth nuclei is due to the promotion of the eight particle blocks to the major shells above the ones currently filling. Assuming a ``pseudo-SU3'' coupling for the particles in the lower orbits, it is possible to account remarkably well for the observed B(E2) rates at the beginning of the region.

  4. A Circumstellar Shell Model for the Cassiopeia A Supernova Remnant

    NASA Astrophysics Data System (ADS)

    Borkowski, Kazimierz; Szymkowiak, Andrew E.; Blondin, John M.; Sarazin, Craig L.

    1996-08-01

    We model the Cassiopeia A supernova remnant in the framework of the circumstellar medium (C SM) interaction picture. In this model, the slow red supergiant wind of the supernova (SN) progenitor was swept into a dense shell by a fast stellar wind in the subsequent blue supergiant stage of the progenitor star. The supernova blast wave propagated quickly (≤ 100 yr) through the tenuous wind-blown bubble located within this shell and then slowed down in the dense (nH ˜15 cm-3) CSM shell. The shell was impulsively accelerated during this interaction stage; during the subsequent interaction with SN ejecta, the shell has been further accelerated to ˜2000 km s-1, the currently observed expansion rate. The comparison of our X-ray emission calculations with the ASCA spectrum suggests that about 8 Msun of X- material is present in Cas A. Most of this mass is located in the CSM shell and in the outlying red supergiant wind. The X-ray continuum and the Fe Kα line are dominated by the shell emission, but prominent Kα complexes of Mg, Si, and S must be produced by SN ejecta with strongly enhanced abundances of these elements. Our hydrodynamical models indicate that about 2 Msun of ejecta have been shocked. An explosion of a stellar He core is consistent with these findings.

  5. A predictive model of shell morphology in CdSe/CdS core/shell quantum dots

    SciTech Connect

    Gong, Ke; Kelley, David F.

    2014-11-21

    Lattice mismatch in core/shell nanoparticles occurs when the core and shell materials have different lattice parameters. When there is a significant lattice mismatch, a coherent core-shell interface results in substantial lattice strain energy, which can affect the shell morphology. The shell can be of uniform thickness or can be rough, having thin and thick regions. A smooth shell minimizes the surface energy at the expense of increased lattice strain energy and a rough shell does the opposite. A quantitative treatment of the lattice strain energy in determining the shell morphology of CdSe/CdS core/shell nanoparticles is presented here. We use the inhomogeneity in hole tunneling rates through the shell to adsorbed hole acceptors to quantify the extent of shell thickness inhomogeneity. The results can be understood in terms of a model based on elastic continuum calculations, which indicate that the lattice strain energy depends on both core size and shell thickness. The model assumes thermodynamic equilibrium, i.e., that the shell morphology corresponds to a minimum total (lattice strain plus surface) energy. Comparison with the experimental results indicates that CdSe/CdS nanoparticles undergo an abrupt transition from smooth to rough shells when the total lattice strain energy exceeds about 27 eV or the strain energy density exceeds 0.59 eV/nm{sup 2}. We also find that the predictions of this model are not followed for CdSe/CdS nanoparticles when the shell is deposited at very low temperature and therefore equilibrium is not established.

  6. The PI3K/mTOR inhibitor PF-04691502 induces apoptosis and inhibits microenvironmental signaling in CLL and the Eµ-TCL1 mouse model.

    PubMed

    Blunt, Matthew D; Carter, Matthew J; Larrayoz, Marta; Smith, Lindsay D; Aguilar-Hernandez, Maria; Cox, Kerry L; Tipton, Thomas; Reynolds, Mark; Murphy, Sarah; Lemm, Elizabeth; Dias, Samantha; Duncombe, Andrew; Strefford, Jonathan C; Johnson, Peter W M; Forconi, Francesco; Stevenson, Freda K; Packham, Graham; Cragg, Mark S; Steele, Andrew J

    2015-06-25

    Current treatment strategies for chronic lymphocytic leukemia (CLL) involve a combination of conventional chemotherapeutics, monoclonal antibodies, and targeted signaling inhibitors. However, CLL remains largely incurable, with drug resistance and treatment relapse a common occurrence, leading to the search for novel treatments. Mechanistic target of rapamycin (mTOR)-specific inhibitors have been previously assessed but their efficacy is limited due to a positive feedback loop via mTOR complex 2 (mTORC2), resulting in activation of prosurvival signaling. In this study, we show that the dual phosphatidylinositol 3-kinase (PI3K)/mTOR inhibitor PF-04691502 does not induce an mTORC2 positive feedback loop similar to other PI3K inhibitors but does induce substantial antitumor effects. PF-04691502 significantly reduced survival coincident with the induction of Noxa and Puma, independently of immunoglobulin heavy chain variable region mutational status, CD38, and ZAP-70 expression. PF-04691502 inhibited both anti-immunoglobulin M-induced signaling and overcame stroma-induced survival signals and migratory stimuli from CXCL12. Equivalent in vitro activity was seen in the Eμ-TCL1 murine model of CLL. In vivo, PF-04691502 treatment of tumor-bearing animals resulted in a transient lymphocytosis, followed by a clear reduction in tumor in the blood, bone marrow, spleen, and lymph nodes. These data indicate that PF-04691502 or other dual PI3K/mTOR inhibitors in development may prove efficacious for the treatment of CLL, increasing our armamentarium to successfully manage this disease.

  7. Shell-model predictions for Lambda Lambda hypernuclei

    SciTech Connect

    Gal, A.; Millener, D.

    2011-06-02

    It is shown how the recent shell-model determination of {Lambda}N spin-dependent interaction terms in {Lambda} hypernuclei allows for a reliable deduction of {Lambda}{Lambda} separation energies in {Lambda}{Lambda} hypernuclei across the nuclear p shell. Comparison is made with the available data, highlighting {sub {Lambda}{Lambda}}{sup 11}Be and {sub {Lambda}{Lambda}}{sup 12}Be which have been suggested as possible candidates for the KEK-E373 HIDA event.

  8. Influence of saturation properties on shell-model calculations

    NASA Astrophysics Data System (ADS)

    Abzouzi, A.; Caurier, E.; Zuker, A. P.

    1991-03-01

    It is shown that the nuclear Hamiltonian scrH separates rigorously into a monopole field scrHm and a multipole part scrHm. scrHm is entirely responsible for saturation properties and can be treated phenomenologically with few parameters. When realistic interactions are used for scrHM in regions from the p shell to the N=82 isotones, shell-model calculations yield excellent spectroscopy and demand nuclear radii very close to the observed ones.

  9. TPX superconducting PF magnets

    SciTech Connect

    Calvin, H.; Christiansen, O.; Cizek, J.

    1995-12-31

    The Westinghouse team has extended the Lawrence Livermore National Laboratory advanced conceptual design for the TPX PF magnets through preliminary design. This is the first time superconducting PF magnets have been designed for application in a tokamak. Particular challenges were encountered and solved in developing the coil insulation system, welding the helium stubs, and winding the coil. The authors fabricated a coil using copper stranded CIC conductor, to surface manufacturability issues and demonstrate the solutions.

  10. Hierarchic plate and shell models based on p-extension

    NASA Technical Reports Server (NTRS)

    Szabo, Barna A.; Sahrmann, Glenn J.

    1988-01-01

    Formulations of finite element models for beams, arches, plates and shells based on the principle of virtual work was studied. The focus is on computer implementation of hierarchic sequences of finite element models suitable for numerical solution of a large variety of practical problems which may concurrently contain thin and thick plates and shells, stiffeners, and regions where three dimensional representation is required. The approximate solutions corresponding to the hierarchic sequence of models converge to the exact solution of the fully three dimensional model. The stopping criterion is based on: (1) estimation of the relative error in energy norm; (2) equilibrium tests, and (3) observation of the convergence of quantities of interest.

  11. DEVELOPMENT OF ANSYS FINITE ELEMENT MODELS FOR SINGLE SHELL TANK (SST) & DOUBLE SHELL TANK (DST) TANKS

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    Summary report of ANSYS finite element models developed for dome load analysis of Hanford 100-series single-shell tanks and double-shell tanks. Document provides user interface for selecting proper tank model and changing of analysis parameters for tank specific analysis. Current dome load restrictions for the Hanford Site underground waste storage tanks are based on existing analyses of record (AOR) that evaluated the tanks for a specific set of design load conditions. However, greater flexibility is required in controlling dome loadings applied to the tanks due to day-to-day operations and waste retrieval activities. This requires the development of an analytical model with sufficient detail to evaluate various dome loading conditions not specifically addressed in the AOR.

  12. Shell model spectroscopy far from stability

    NASA Astrophysics Data System (ADS)

    Poves, A.

    2017-08-01

    I will discuss the impact of the research on exotic nuclei carried out at ISOLDE and later on, following its impulse, in many laboratories worldwide, in our present knowledge of the nuclear dynamics. I will put particular emphasis on the occurrence of islands of inversion (IoI) at several magic numbers for the neutrons, far from stability. I will also discuss the appearance of new local shell closures in the calcium and silicon isotopic chains, and qualify their status as new doubly magic nuclei. This article belongs to the Focus on Exotic Beams at ISOLDE: A Laboratory Portrait special issue.

  13. Monte Carlo shell model studies with massively parallel supercomputers

    NASA Astrophysics Data System (ADS)

    Shimizu, Noritaka; Abe, Takashi; Honma, Michio; Otsuka, Takaharu; Togashi, Tomoaki; Tsunoda, Yusuke; Utsuno, Yutaka; Yoshida, Tooru

    2017-06-01

    We present an overview of the advanced Monte Carlo shell model (MCSM), including its recent applications to no-core shell-model calculations and to large-scale shell-model calculations (LSSM) in the usual sense. For the ab initio no-core MCSM we show recent methodological developments, which include the evaluation of energy eigenvalues in an infinitely large model space by an extrapolation method. As an example of the application of the no-core MCSM, the cluster structure of Be isotopes is discussed. Regarding LSSM applications, the triple shape coexistence in 68Ni and 70Ni and the shape transition of Zr isotopes are clarified with the visualization of the intrinsic deformation of the MCSM wave function. General aspects of the code development of the MCSM on massively parallel computers are also briefly described.

  14. Effect of the sphingosine kinase 1 selective inhibitor, PF-543 on arterial and cardiac remodelling in a hypoxic model of pulmonary arterial hypertension.

    PubMed

    MacRitchie, Neil; Volpert, Giora; Al Washih, Mohammed; Watson, David G; Futerman, Anthony H; Kennedy, Simon; Pyne, Susan; Pyne, Nigel J

    2016-08-01

    Recent studies have demonstrated that the expression of sphingosine kinase 1, the enzyme that catalyses formation of the bioactive lipid, sphingosine 1-phosphate, is increased in lungs from patients with pulmonary arterial hypertension. In addition, Sk1(-/-) mice are protected from hypoxic-induced pulmonary arterial hypertension. Therefore, we assessed the effect of the sphingosine kinase 1 selective inhibitor, PF-543 and a sphingosine kinase 1/ceramide synthase inhibitor, RB-005 on pulmonary and cardiac remodelling in a mouse hypoxic model of pulmonary arterial hypertension. Administration of the potent sphingosine kinase 1 inhibitor, PF-543 in a mouse hypoxic model of pulmonary hypertension had no effect on vascular remodelling but reduced right ventricular hypertrophy. The latter was associated with a significant reduction in cardiomyocyte death. The protection involves a reduction in the expression of p53 (that promotes cardiomyocyte death) and an increase in the expression of anti-oxidant nuclear factor (erythroid-derived 2)-like 2 (Nrf-2). In contrast, RB-005 lacked effects on right ventricular hypertrophy, suggesting that sphingosine kinase 1 inhibition might be nullified by concurrent inhibition of ceramide synthase. Therefore, our findings with PF-543 suggest an important role for sphingosine kinase 1 in the development of hypertrophy in pulmonary arterial hypertension.

  15. Models for elastic shells with incompatible strains

    PubMed Central

    Lewicka, Marta; Mahadevan, L.; Pakzad, Mohammad Reza

    2014-01-01

    The three-dimensional shapes of thin lamina, such as leaves, flowers, feathers, wings, etc., are driven by the differential strain induced by the relative growth. The growth takes place through variations in the Riemannian metric given on the thin sheet as a function of location in the central plane and also across its thickness. The shape is then a consequence of elastic energy minimization on the frustrated geometrical object. Here, we provide a rigorous derivation of the asymptotic theories for shapes of residually strained thin lamina with non-trivial curvatures, i.e. growing elastic shells in both the weakly and strongly curved regimes, generalizing earlier results for the growth of nominally flat plates. The different theories are distinguished by the scaling of the mid-surface curvature relative to the inverse thickness and growth strain, and also allow us to generalize the classical Föppl–von Kármán energy to theories of prestrained shallow shells. PMID:24808750

  16. Schematic Interactions for the nuclear shell model

    NASA Astrophysics Data System (ADS)

    Kingan, Arun; Quinonez, Michael; Zamick, Larry

    2016-09-01

    For 2 protons and 2 neutrons in the f7 / 2 shell we need eight 2-body matrix elements from J=0 to J=7. Previously we considered the schematic SET1: {0,0,1,0,2,0,3,0} We now consider SET2: {0,0,1,0,2,0,2,0} With SET1 we find beyond J=6 equally spaced spectra with spacings of 1.5 MeV. With SET2 we get the opposite, a collapse of many levels to the common energy 4.7480 MeV. In particular the top of the spectrum consists of degenerate J=10+ and J=12+ states. Also, we find degenerate doublets of the same angular momentum e.g. two 8+ T=0 states at 4.7480 MeV. In these states the configurations (2,6) and (6,2) are excluded. The number of these special T=0 states is constrained by the fact that they must be orthogonal to the T=2 states-the more T=2 states the less special T=0 states. We get corresponding behaviors in higher shells. Supported by Rutgers Aresty program.

  17. Core polarization and modern realistic shell-model Hamiltonians

    NASA Astrophysics Data System (ADS)

    Coraggio, L.; Covello, A.; Gargano, A.; Itaco, N.

    The understanding of the convergence properties of the shell-model effective Hamiltonian, within the framework of the many-body perturbation theory, is a long-standing problem. The infinite summation of a certain class of diagrams, the so-called "bubble diagrams," may be provided calculating the Kirson-Babu-Brown induced interaction, and provides a valid instrument to study whether or not the finite summation of the perturbative series is well-grounded. Here, we perform an application of the calculation of the Kirson-Babu-Brown induced interaction to derive the shell-model effective Hamiltonian for p-shell nuclei starting from a modern nucleon-nucleon potential, obtained by way of the chiral perturbation theory. The outcome of our calculation is compared with a standard calculation of the shell-model Hamiltonian, where the core-polarization effects are calculated only up to third-order in perturbation theory. The results of the two calculations are very close to each other, evidencing that the perturbative approach to the derivation of the shell-model Hamiltonian is still a valid tool for nuclear structure studies.

  18. Core polarization and modern realistic shell-model Hamiltonians

    NASA Astrophysics Data System (ADS)

    Coraggio, L.; Covello, A.; Gargano, A.; Itaco, N.

    The understanding of the convergence properties of the shell-model effective Hamiltonian, within the framework of the many-body perturbation theory, is a long-standing problem. The infinite summation of a certain class of diagrams, the so-called “bubble diagrams,” may be provided calculating the Kirson-Babu-Brown induced interaction, and provides a valid instrument to study whether or not the finite summation of the perturbative series is well-grounded. Here, we perform an application of the calculation of the Kirson-Babu-Brown induced interaction to derive the shell-model effective Hamiltonian for p-shell nuclei starting from a modern nucleon-nucleon potential, obtained by way of the chiral perturbation theory. The outcome of our calculation is compared with a standard calculation of the shell-model Hamiltonian, where the core-polarization effects are calculated only up to third-order in perturbation theory. The results of the two calculations are very close to each other, evidencing that the perturbative approach to the derivation of the shell-model Hamiltonian is still a valid tool for nuclear structure studies.

  19. Superposition of Quantum Confinement Energy (SQCE) model for estimating shell thickness in core-shell quantum dots: validation and comparison.

    PubMed

    Saran, Amit D; Mehra, Anurag; Bellare, Jayesh R

    2012-07-15

    A novel theoretical model based on superposition of core and shell band-gaps, termed as SQCE model, is developed and reported here, which enables one to estimate the shell thickness in a core-shell quantum dot (QD), which is critically important in deciding its optical and electronic properties. We apply the model to two experimental core-shell QD systems, CdSe-CdS and CdSe-ZnS, which we synthesize by microemulsion method. We synthesize and study two series of samples, R and S to study the optical properties. The core size is varied in the R-series (by varying water-to-surfactant ratio, R) whereas the shell thickness is varied in the S-series (by varying the shell-to-core precursor molar ratio, S). The core and core-shell QDs from R-series and S-series are characterized for particle size, shape and crystallographic information. The shell thickness for all core-shell QD samples is estimated by SQCE model, and experimentally measured with TEM and SAXS. A close match is observed between experimental values and model predictions, thus validating the model. Further, the optimum shell thickness (corresponding to maximum quantum yield) values for CdS and ZnS over a 4.26 nm CdSe core have been estimated as 0.585 nm and 0.689 nm, respectively, from the SQCE model. The SQCE model developed in this work is applicable to other core-shell quantum dots also, such as CdTe-CdS, CdTe-CdSe and CdS-ZnS, and will serve as a useful complement to experimental measurement.

  20. Orthotropic elastic shell model for buckling of microtubules.

    PubMed

    Wang, C Y; Ru, C Q; Mioduchowski, A

    2006-11-01

    In view of the fact that microtubules exhibit strong anisotropic elastic properties, an orthotropic elastic shell model for microtubules is developed to study buckling behavior of microtubules. The predicted critical pressure is found to agree well with recent unexplained experimental data on pressure-induced buckling of microtubules [Needleman, Phys. Rev. Lett. 93, 198104 (2004); Biophys. J. 89, 3410 (2005)] which are lower than that predicted by the isotropic shell model by four orders of magnitude. General buckling behavior of microtubules under axial compression or radial pressure is studied. The results show that the isotropic shell model greatly overestimates the bucking loads of microtubules, except columnlike axially compressed buckling of long microtubules (of length-to-diameter ratio larger than, say, 150). In particular, the present results also offer a plausible explanation for the length dependency of flexibility of microtubules reported in the literature.

  1. The malarial drug target Plasmodium falciparum 1-deoxy-D-xylulose-5-phosphate reductoisomerase (PfDXR): development of a 3-D model for identification of novel, structural and functional features and for inhibitor screening.

    PubMed

    Goble, Jessica L; Adendorff, Matthew R; de Beer, Tjaart A P; Stephens, Linda L; Blatch, Gregory L

    2010-01-01

    A three-dimensional model of the malarial drug target protein PfDXR was generated, and validated using structure-checking programs and protein docking studies. Structural and functional features unique to PfDXR were identified using the model and comparative sequence analyses with apicomplexan and non-apicomplexan DXR proteins. Furthermore, we have used the model to develop an efficient approach to screen for potential tool compounds for use in the rational design of novel DXR inhibitors.

  2. A violin shell model: vibrational modes and acoustics.

    PubMed

    Gough, Colin E

    2015-03-01

    A generic physical model for the vibro-acoustic modes of the violin is described treating the body shell as a shallow, thin-walled, guitar-shaped, box structure with doubly arched top and back plates. comsol finite element, shell structure, software is used to identify and understand the vibrational modes of a simply modeled violin. This identifies the relationship between the freely supported plate modes when coupled together by the ribs and the modes of the assembled body shell. Such coupling results in a relatively small number of eigenmodes or component shell modes, of which a single volume-changing breathing mode is shown to be responsible for almost all the sound radiated in the monopole signature mode regime below ∼1 kHz for the violin, whether directly or by excitation of the Helmholtz f-hole resonance. The computations describe the influence on such modes of material properties, arching, plate thickness, elastic anisotropy, f-holes cut into the top plate, the bass-bar, coupling to internal air modes, the rigid neck-fingerboard assembly, and, most importantly, the soundpost. Because the shell modes are largely determined by the symmetry of the guitar-shaped body, the model is applicable to all instruments of the violin family.

  3. Modelling exchange bias in core/shell nanoparticles.

    PubMed

    Iglesias, Oscar; Batlle, Xavier; Labarta, Amílcar

    2007-10-10

    We present an atomistic model of a single nanoparticle with core/shell structure that takes into account its lattice structure and spherical geometry, and in which the values of microscopic parameters such as anisotropy and exchange constants can be tuned in the core, shell and interfacial regions. By means of Monte Carlo simulations of the hysteresis loops based on this model, we have determined the range of microscopic parameters for which loop shifts after field cooling can be observed. The study of the magnetic order of the interfacial spins for different particle sizes and values of the interfacial exchange coupling have allowed us to correlate the appearance of loop asymmetries and vertical displacements to the existence of a fraction of uncompensated spins at the shell interface that remain pinned during field cycling, offering new insight on the microscopic origin of the experimental phenomenology.

  4. Kinematic arguments against single relativistic shell models for GRBs

    NASA Technical Reports Server (NTRS)

    Fenimore, Edward E.; Ramirez, E.; Sumner, M. C.

    1997-01-01

    Two main types of models have been suggested to explain the long durations and multiple peaks of Gamma Ray Bursts (GRBs). In one, there is a very quick release of energy at a central site resulting in a single relativistic shell that produces peaks in the time history through its interactions with the ambient material. In the other, the central site sporadically releases energy over hundreds of seconds forming a peak with each burst of energy. The authors show that the average envelope of emission and the presence of gaps in GRBs are inconsistent with a single relativistic shell. They estimate that the maximum fraction of a single shell that can produce gamma-rays in a GRB with multiple peaks is 10(exp (minus)3), implying that single relativistic shells require 10(exp 3) times more energy than previously thought. They conclude that either the central site of a GRB must produce (approx)10(exp 51) erg/s(exp (minus)1) for hundreds of seconds, or the relativistic shell must have structure on a scales the order of (radical)(epsilon)(Gamma)(exp (minus)1), where (Gamma) is the bulk Lorentz factor ((approximately)10(exp 2) to 10(exp 3)) and (epsilon) is the efficiency.

  5. Kinematic arguments against single relativistic shell models for GRBs

    SciTech Connect

    Fenimore, E.E.; Ramirez, E.; Sumner, M.C.

    1997-09-01

    Two main types of models have been suggested to explain the long durations and multiple peaks of Gamma Ray Bursts (GRBs). In one, there is a very quick release of energy at a central site resulting in a single relativistic shell that produces peaks in the time history through its interactions with the ambient material. In the other, the central site sporadically releases energy over hundreds of seconds forming a peak with each burst of energy. The authors show that the average envelope of emission and the presence of gaps in GRBs are inconsistent with a single relativistic shell. They estimate that the maximum fraction of a single shell that can produce gamma-rays in a GRB with multiple peaks is 10{sup {minus}3}, implying that single relativistic shells require 10{sup 3} times more energy than previously thought. They conclude that either the central site of a GRB must produce {approx}10{sup 51} erg/s{sup {minus}1} for hundreds of seconds, or the relativistic shell must have structure on a scales the order of {radical}{epsilon}{Gamma}{sup {minus}1}, where {Gamma} is the bulk Lorentz factor ({approximately}10{sup 2} to 10{sup 3}) and {epsilon} is the efficiency.

  6. Shell model analysis of competing contributions to the double-β decay of 48Ca

    NASA Astrophysics Data System (ADS)

    Horoi, Mihai

    2013-01-01

    Background: Neutrinoless double-β decay, if observed, would reveal physics beyond the standard model of particle physics; namely, it would prove that neutrinos are Majorana fermions and that the lepton number is not conserved.Purpose: The analysis of the results of neutrinoless double-β decay observations requires an accurate knowledge of several nuclear matrix elements (NME) for different mechanisms that may contribute to the decay. We provide a complete analysis of these NME for the decay of the ground state (g.s.) of 48Ca to the g.s. 01+ and first excited 02+ state of 48Ti.Method: For the analysis we used the nuclear shell model with effective two-body interactions that were fine-tuned to describe the low-energy spectroscopy of pf-shell nuclei. We checked our model by calculating the two-neutrino transition probability to the g.s. of 48Ti. We also make predictions for the transition to the first excited 02+ state of 48Ti.Results: We present results for all NME relevant for the neutrinoless transitions to the 01+ and 02+ states, and using the lower experimental limit for the g.s. to g.s. half-life, we extract upper limits for the neutrino physics parameters.Conclusions: We provide accurate NME for the two-neutrino and neutrinoless double-β decay transitions in the A=48 system, which can be further used to analyze the experimental results of double-β decay experiments when they become available.

  7. Dynamics of thin-shell wormholes with different cosmological models

    NASA Astrophysics Data System (ADS)

    Sharif, Muhammad; Mumtaz, Saadia

    This work is devoted to investigate the stability of thin-shell wormholes in Einstein-Hoffmann-Born-Infeld electrodynamics. We also study the attractive and repulsive characteristics of these configurations. A general equation-of-state is considered in the form of linear perturbation which explores the stability of the respective wormhole solutions. We assume Chaplygin, linear and logarithmic gas models to study exotic matter at thin-shell and evaluate stability regions for different values of the involved parameters. It is concluded that the Hoffmann-Born-Infeld parameter and electric charge enhance the stability regions.

  8. Ab Initio and Ab Exitu No-Core Shell Model

    SciTech Connect

    Vary, J P; Navratil, P; Gueorguiev, V G; Ormand, W E; Nogga, A; Maris, P; Shirokov, A

    2007-10-02

    We outline two complementary approaches based on the no core shell model (NCSM) and present recent results. In the ab initio approach, nuclear properties are evaluated with two-nucleon (NN) and three-nucleon interactions (TNI) derived within effective field theory (EFT) based on chiral perturbation theory (ChPT). Fitting two available parameters of the TNI generates good descriptions of light nuclei. In a second effort, an ab exitu approach, results are obtained with a realistic NN interaction derived by inverse scattering theory with off-shell properties tuned to fit light nuclei. Both approaches produce good results for observables sensitive to spin-orbit properties.

  9. Ab-Initio Shell Model with a Core

    SciTech Connect

    Lisetskiy, A F; Barrett, B R; Kruse, M; Navratil, P; Stetcu, I; Vary, J P

    2008-06-04

    We construct effective 2- and 3-body Hamiltonians for the p-shell by performing 12{h_bar}{Omega} ab initio no-core shell model (NCSM) calculations for A=6 and 7 nuclei and explicitly projecting the many-body Hamiltonians onto the 0{h_bar}{Omega} space. We then separate these effective Hamiltonians into 0-, 1- and 2-body contributions (also 3-body for A=7) and analyze the systematic behavior of these different parts as a function of the mass number A and size of the NCSM basis space. The role of effective 3- and higher-body interactions for A > 6 is investigated and discussed.

  10. Experiments on stiffened conical shell structures using cast epoxy models

    NASA Technical Reports Server (NTRS)

    Williams, J. G.; Davis, R. C.

    1973-01-01

    Description of a casting technique for fabricating high-quality plastic structural models, and review of results regarding the use of such specimens to parametrically study the effect of base ring stiffness on the critical buckling pressure of a ring-stiffened conical shell. The fabrication technique involves machining a metal mold to the desired configuration and vacuum-drawing the plastic material into the mold. A room-temperature curing translucent thermoset epoxy was the casting material selected. A shell of revolution computer program which employs a nonlinear axisymmetric prebuckling strain field to obtain a bifurcation buckling solution was used to guide the selection of congifurations tested. The shell experimentally exhibited asymmetric collapse behavior, and the ultimate load was considerably higher than the analytical bifurcation prediction. The asymmetric buckling mode shape, however, initially appeared at a pressure near the analysis bifurcation solution.

  11. Final Report Fermionic Symmetries and Self consistent Shell Model

    SciTech Connect

    Larry Zamick

    2008-11-07

    In this final report in the field of theoretical nuclear physics we note important accomplishments.We were confronted with "anomoulous" magnetic moments by the experimetalists and were able to expain them. We found unexpected partial dynamical symmetries--completely unknown before, and were able to a large extent to expain them.The importance of a self consistent shell model was emphasized.

  12. Monopole, Quadrupole and Pairing: a Shell Model View

    NASA Astrophysics Data System (ADS)

    Zuker, A. P.

    The three main contributions to the nuclear Hamiltonian-monopole, quadrupole and pairing - are analyzed in a shell model context. The first has to be treated phenomenologically, while the other two can be reliably extracted from the realistic interactions. Due to simple scaling properties, the realistic quadrupole and pairing interactions eliminate the tendency to collapse of their conventional counterparts, while retaining their basic simplicity.

  13. Numerical treatment of a geometrically nonlinear planar Cosserat shell model

    NASA Astrophysics Data System (ADS)

    Sander, Oliver; Neff, Patrizio; Bîrsan, Mircea

    2016-05-01

    We present a new way to discretize a geometrically nonlinear elastic planar Cosserat shell. The kinematical model is similar to the general six-parameter resultant shell model with drilling rotations. The discretization uses geodesic finite elements (GFEs), which leads to an objective discrete model which naturally allows arbitrarily large rotations. GFEs of any approximation order can be constructed. The resulting algebraic problem is a minimization problem posed on a nonlinear finite-dimensional Riemannian manifold. We solve this problem using a Riemannian trust-region method, which is a generalization of Newton's method that converges globally without intermediate loading steps. We present the continuous model and the discretization, discuss the properties of the discrete model, and show several numerical examples, including wrinkling of thin elastic sheets in shear.

  14. Connections between the dynamical symmetries in the microscopic shell model

    NASA Astrophysics Data System (ADS)

    Georgieva, A. I.; Drumev, K. P.

    2016-03-01

    The dynamical symmetries of the microscopic shell model appear as the limiting cases of a symmetry adapted Pairing-Plus-Quadrupole Model /PQM/, with a Hamiltonian containing isoscalar and isovector pairing and quadrupole interactions. We establish a correspondence between each of the three types of pairing bases and Elliott's SU(3) basis, that describes collective rotation of nuclear systems with quadrupole deformation. It is derived from their complementarity to the same LS coupling chain of the shell model number conserving algebra. The probability distribution of the S U(3) basis states within the pairing eigenstates is also obtained through a numerical diagonalization of the PQM Hamiltonian in each limit. We introduce control parameters, which define the phase diagram of the model and determine the role of each term of the Hamiltonian in the correct reproduction of the experimental data for the considered nuclei.

  15. Connections between the dynamical symmetries in the microscopic shell model

    SciTech Connect

    Georgieva, A. I.; Drumev, K. P.

    2016-03-25

    The dynamical symmetries of the microscopic shell model appear as the limiting cases of a symmetry adapted Pairing-Plus-Quadrupole Model /PQM/, with a Hamiltonian containing isoscalar and isovector pairing and quadrupole interactions. We establish a correspondence between each of the three types of pairing bases and Elliott’s SU(3) basis, that describes collective rotation of nuclear systems with quadrupole deformation. It is derived from their complementarity to the same LS coupling chain of the shell model number conserving algebra. The probability distribution of the S U(3) basis states within the pairing eigenstates is also obtained through a numerical diagonalization of the PQM Hamiltonian in each limit. We introduce control parameters, which define the phase diagram of the model and determine the role of each term of the Hamiltonian in the correct reproduction of the experimental data for the considered nuclei.

  16. A model for the shell current in a reversed field pinch

    SciTech Connect

    Greene, P.A. . Dept. of Physics); Robertson, S.H. )

    1990-04-01

    A model is presented for the current in a resistive shell in a reversed field pinch (RFP). The model is compared to experimental measurements. The model is applied to experiments performed on the Reversatron II RFP and is shown to provide an approximate description of the shell current. This model provides a means for including the effect of the shell in the design of feedback control systems that may be used on existing or future RFP's having resistive shells.

  17. Statistics of Helicity Flux in Shell Models of Turbulence

    NASA Astrophysics Data System (ADS)

    Chen, Qiaoning; Chen, Shiyi; Eyink, Gregory L.; Holm, Darryl D.

    2001-11-01

    We present results of simulations of two shell models of turbulence, the standard SABRA model and a helical version of the SABRA model ( called SABRA 3 ) patterned after the GOY 3 model of Biferale and Kerr. We investigate a known difference in helicity statistics between the standard and helical versions of the shell models. In standard GOY, the scaling exponents of absolute helicity flux structure functions were found by Ditlevsen and Giuliani to be larger than those of energy flux. In contrast, Biferale et al. have found the scaling exponents of energy and helicity flux for GOY 3 to be nearly equal. We confirm this difference in helicity flux scaling for standard SABRA and helical SABRA 3. We find that the identical scaling properties of energy and helicity flux in SABRA 3 are associated with strong statistical correlations of the two fluxes for large values. On the other hand, in SABRA there is a "blocking" effect, where large energy flux is associated to small helicity flux. By a conditional sampling of bursting events, we provide a dynamical explanation of blocking in SABRA and of its absence in SABRA 3. Finally, we discuss the relevance of both shell models to helicity statistics in 3D Navier-Stokes turbulence.

  18. K-shell spectroscopy uncertainty due to spectral models

    NASA Astrophysics Data System (ADS)

    Nagayama, Taisuke; Bailey, J. E.; Loisel, G.; Rochau, G. A.; Hansen, S. B.; Blancard, C.; Cosse, Ph.; Iglesias, C. A.; Colgan, J.; Fontes, C.; Kilcrease, D.; Macfarlane, J. J.; Golovkin, I.; Florido, R.; Mancini, R. C.

    2015-11-01

    In high energy density plasma physics, K-shell spectra from H-, He-, and Li-like ions are often used to diagnose plasma conditions. Line ratios and line broadening of the measured spectra are sensitive to the electron temperature and density of the source plasma, respectively. Thus, plasma electron temperature, Te, and electron density, ne, can be uniquely and precisely determined by reproducing the measured spectra with a spectral model. However, the different spectral models do not perfectly agree with each other and the diagnostic results depend on the selection of spectral models. Here, we investigate the level of disagreement in inferred Te and ne due to differences in spectral models. Models in the study are ABAKO, ATOMIC, FLYCHK, OPAL, OPAS, PrismSPECT, and SCRAM. As an example, we selected Mg K-shell spectroscopy used for Fe opacity experiments [Bailey et al, Nature 517, 56 (2015)] where Fe plasma conditions are inferred from K-shell spectra of a Mg dopant. The Te and ne diagnostics using different models agree within 5% and 30%. We discuss the main source of discrepancies. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000.

  19. Symmetry Based No Core Shell Model in a Deformed Basis

    NASA Astrophysics Data System (ADS)

    Kekejian, David; Draayer, Jerry; Launey, Kristina

    2017-01-01

    To address current limitations of shell-model descriptions of large spatial deformation and cluster structures, we adopt a no-core shell model with a deformed harmonic oscillator basis and implement an angular momentum projection in a symmetry-adapted scheme. This approach allows us to reach larger model spaces as a result of computational memory savings for calculations of highly deformed states, such as the Hoyle state in C-12. The method is first tested with schematic interactions, but the ultimate goal is to carry forward calculations with realistic nucleon-nucleon interactions in future work. Supported by the U.S. NSF (OCI-0904874, ACI-1516338) and the U.S. DOE (DE-SC0005248), and benefitted from computing resources provided by Blue Waters and LSU's Center for Computation & Technology.

  20. Combined experimental/analytical modeling of shell/payload structures

    SciTech Connect

    Martinez, D.R.; Miller, A.K.; Carne, T.G.

    1985-12-01

    This study evaluates the accuracy of computed modal frequencies obtained from a combined experimental/analytical model of a shell/payload structure. A component mode synthesis technique was used which incorporated free modes and residual effects. The total structure is physically divided into the two subsystems which are connected through stiff joints. The payload was tested to obtain its free-free modes, while a finite element model of the shell was analyzed to obtain its modal description. Both the translational and rotational components of the experimental mode shapes at the payload interface were used in the coupling. Sensitivity studies were also performed to determine the effect of neglecting the residual terms of the payload. Results from a previous study of a combined experimental/analytical model for a beam structure are also given. The beam structure was used to examine the basic procedures and difficulties in experimentally measuring, and analytically accounting for the rotational and residual quantities.

  1. Thermal conductivity modeling of core-shell and tubular nanowires.

    PubMed

    Yang, Ronggui; Chen, Gang; Dresselhaus, Mildred S

    2005-06-01

    The heteroepitaxial growth of crystalline core-shell nanostructures of a variety of materials has become possible in recent years, allowing the realization of various novel nanoscale electronic and optoelectronic devices. The increased surface or interface area will decrease the thermal conductivity of such nanostructures and impose challenges for the thermal management of such devices. In the meantime, the decreased thermal conductivity might benefit the thermoelectric conversion efficiency. In this paper, we present modeling results on the lattice thermal conductivity of core-shell and tubular nanowires along the wire axis direction using the phonon Boltzmann equation. We report the dependence of the thermal conductivity on the surface conditions and the core-shell geometry for silicon core-germanium shell and tubular silicon nanowires at room temperature. The results show that the effective thermal conductivity changes not only with the composition of the constituents but also with the radius of the nanowires and nanopores due to the nature of the ballistic phonon transport. The results in this work have implications for the design and operation of a variety of nanoelectronic devices, optoelectronic devices, and thermoelectric materials and devices.

  2. Curved Thermopiezoelectric Shell Structures Modeled by Finite Element Analysis

    NASA Technical Reports Server (NTRS)

    Lee, Ho-Jun

    2000-01-01

    "Smart" structures composed of piezoelectric materials may significantly improve the performance of aeropropulsion systems through a variety of vibration, noise, and shape-control applications. The development of analytical models for piezoelectric smart structures is an ongoing, in-house activity at the NASA Glenn Research Center at Lewis Field focused toward the experimental characterization of these materials. Research efforts have been directed toward developing analytical models that account for the coupled mechanical, electrical, and thermal response of piezoelectric composite materials. Current work revolves around implementing thermal effects into a curvilinear-shell finite element code. This enhances capabilities to analyze curved structures and to account for coupling effects arising from thermal effects and the curved geometry. The current analytical model implements a unique mixed multi-field laminate theory to improve computational efficiency without sacrificing accuracy. The mechanics can model both the sensory and active behavior of piezoelectric composite shell structures. Finite element equations are being implemented for an eight-node curvilinear shell element, and numerical studies are being conducted to demonstrate capabilities to model the response of curved piezoelectric composite structures (see the figure).

  3. Symmetry-guided large-scale shell-model theory

    NASA Astrophysics Data System (ADS)

    Launey, Kristina D.; Dytrych, Tomas; Draayer, Jerry P.

    2016-07-01

    In this review, we present a symmetry-guided strategy that utilizes exact as well as partial symmetries for enabling a deeper understanding of and advancing ab initio studies for determining the microscopic structure of atomic nuclei. These symmetries expose physically relevant degrees of freedom that, for large-scale calculations with QCD-inspired interactions, allow the model space size to be reduced through a very structured selection of the basis states to physically relevant subspaces. This can guide explorations of simple patterns in nuclei and how they emerge from first principles, as well as extensions of the theory beyond current limitations toward heavier nuclei and larger model spaces. This is illustrated for the ab initio symmetry-adapted no-core shell model (SA-NCSM) and two significant underlying symmetries, the symplectic Sp(3 , R) group and its deformation-related SU(3) subgroup. We review the broad scope of nuclei, where these symmetries have been found to play a key role-from the light p-shell systems, such as 6Li, 8B, 8Be, 12C, and 16O, and sd-shell nuclei exemplified by 20Ne, based on first-principle explorations; through the Hoyle state in 12C and enhanced collectivity in intermediate-mass nuclei, within a no-core shell-model perspective; up to strongly deformed species of the rare-earth and actinide regions, as investigated in earlier studies. A complementary picture, driven by symmetries dual to Sp(3 , R) , is also discussed. We briefly review symmetry-guided techniques that prove useful in various nuclear-theory models, such as Elliott model, ab initio SA-NCSM, symplectic model, pseudo- SU(3) and pseudo-symplectic models, ab initio hyperspherical harmonics method, ab initio lattice effective field theory, exact pairing-plus-shell model approaches, and cluster models, including the resonating-group method. Important implications of these approaches that have deepened our understanding of emergent phenomena in nuclei, such as enhanced

  4. Dynamic model of open shell structures buried in poroelastic soils

    NASA Astrophysics Data System (ADS)

    Bordón, J. D. R.; Aznárez, J. J.; Maeso, O.

    2017-08-01

    This paper is concerned with a three-dimensional time harmonic model of open shell structures buried in poroelastic soils. It combines the dual boundary element method (DBEM) for treating the soil and shell finite elements for modelling the structure, leading to a simple and efficient representation of buried open shell structures. A new fully regularised hypersingular boundary integral equation (HBIE) has been developed to this aim, which is then used to build the pair of dual BIEs necessary to formulate the DBEM for Biot poroelasticity. The new regularised HBIE is validated against a problem with analytical solution. The model is used in a wave diffraction problem in order to show its effectiveness. It offers excellent agreement for length to thickness ratios greater than 10, and relatively coarse meshes. The model is also applied to the calculation of impedances of bucket foundations. It is found that all impedances except the torsional one depend considerably on hydraulic conductivity within the typical frequency range of interest of offshore wind turbines.

  5. Shell Model Description of 102-108Sn Isotopes

    NASA Astrophysics Data System (ADS)

    Trivedi, T.; Srivastava, P. C.; Negi, D.; Mehrotra, I.

    2012-05-01

    We have performed shell model calculations for neutron deficient even 102-108Sn and odd 103-107Sn isotopes in sdg7/2h11/2 model space using two different interactions. The first set of interaction is due to Brown et al. and second is due to Hoska et al. The calculations have been performed using doubly magic 100Sn as core and valence neutrons are distributed over the single particle orbits 1g7/2, 2d5/2, 2d3/2, 3s1/2 and 1h11/2. In more recent experimental work for 101Sn [I. G. Darby et al., Phys. Rev. Lett. 105 (2010) 162502], the g.s. is predicted as 5/2+ with excited 7/2+ at 172 keV. We have also performed another two set of calculations by taking difference in single particle energies of 2d5/2 and 1g7/2 orbitals by 172 keV. The present state-of-the-art shell model calculations predict fair agreement with the experimental data. These calculations serve as a test of nuclear shell model in the region far from stability for unstable Sn isotopes near the doubly magic 100Sn core.

  6. Resonance and continuum Gamow shell model with realistic nuclear forces

    NASA Astrophysics Data System (ADS)

    Sun, Z. H.; Wu, Q.; Zhao, Z. H.; Hu, B. S.; Dai, S. J.; Xu, F. R.

    2017-06-01

    Starting from realistic nuclear forces, we have developed a core Gamow shell model which can describe resonance and continuum properties of loosely-bound or unbound nuclear systems. To describe properly resonance and continuum, the Berggren representation has been employed, which treats bound, resonant and continuum states on equal footing in a complex-momentum (complex-k) plane. To derive the model-space effective interaction based on realistic forces, the full Q ˆ -box folded-diagram renormalization has been, for the first time, extended to the nondegenerate complex-k space. The CD-Bonn potential is softened by using the Vlow-k method. Choosing 16O as the inert core, we have calculated sd-shell neutron-rich oxygen isotopes, giving good descriptions of both bound and resonant states. The isotopes 25,26O are calculated to be resonant even in their ground states.

  7. Projected shell model study of band structure of 90Nb

    NASA Astrophysics Data System (ADS)

    Kumar, Amit; Singh, Dhanvir; Gupta, Anuradha; Singh, Suram; Bharti, Arun

    2016-05-01

    A systematic study of two-quasiparticle bands of the odd-odd 90Nb nucleus is performed using the projected shell model approach. Yrast band with some other bands have been obtained and back-bending in moment of inertia has also been calculated and compared with the available experimental. On comparing the available experimental data, it is found that the treatment with PSM provides a satisfactory explanation of the available data.

  8. Complex nuclear spectra in a large scale shell model approach

    NASA Astrophysics Data System (ADS)

    D, Bianco; F, Andreozzi; Iudice N, Lo; A, Porrino; F, Knapp

    2012-05-01

    We report on a shell model implementation of an iterative matrix diagonalization algorithm in the spin uncoupled scheme. A new importance sampling is adopted which brings the eigenvalues to convergence with about 10% of the basis states. The method is shown to be able to provide an exhaustive description of the low-energy spectroscopic properties of 132-134Xe isotopes and of the spectrum of 130Xe.

  9. Properties of Shell-Model Wavefunctions at High Excitation Energies

    NASA Astrophysics Data System (ADS)

    Frazier, Njema Jioni

    Within the framework of the nuclear shell model with a realistic residual hamiltonian one can obtain the exact solution of the many-body problem. This makes it possible to study the interrelation between regular and chaotic features of dynamics in a generic many-body system with strong interaction. As an important application, we analyse the fragmentation of simple configurations as a function of excitation energy and interaction strength and examine the transition strengths induced by simple operators as a function of excitation energy. The analysis is performed for two systems; that of 12 valence particles in the sd-shell, or 28Si, and that of 8 valence particles in the sd-shell, or 24Mg. For the system of 12 valence particles in the sd-shell, we examine the fragmentation of shell-model basis states. For the system of 8 valence nucleons in the sd-shell, we examine the fragmentation associated with single-nucleon transfer and Gamow-Teller transitions. For the fragmentation of basis states, we use our statistics to establish the generic shape of the strength function distribution in the region of strong mixing. For the realistic interaction, the strength function distribution is close to Gaussian in the central part of the energy spectra. The width of the distribution is larger than predicted by Fermi's golden rule (4). We then take this one step further and examine the strength distributions associated with the one-nucleon transfer operator, aλ†, and the Gamow-Teller (GT) operator, Σλλ'(σμ τ±) λλ'aλ†a λ'. The spectroscopic factor, which is proportional to the square of the matrix element for the aλ† operator, is the simplest quantity used in predicting experimental observables. In our discussion of Gamow-Teller transitions, we examine both the GT strength function distribution and the values of total strength B(GT). For all the cases we examine, we take advantage of the reliability of our model for low-lying levels and our statistics to explore

  10. Nonlinear probabilistic finite element models of laminated composite shells

    NASA Technical Reports Server (NTRS)

    Engelstad, S. P.; Reddy, J. N.

    1993-01-01

    A probabilistic finite element analysis procedure for laminated composite shells has been developed. A total Lagrangian finite element formulation, employing a degenerated 3-D laminated composite shell with the full Green-Lagrange strains and first-order shear deformable kinematics, forms the modeling foundation. The first-order second-moment technique for probabilistic finite element analysis of random fields is employed and results are presented in the form of mean and variance of the structural response. The effects of material nonlinearity are included through the use of a rate-independent anisotropic plasticity formulation with the macroscopic point of view. Both ply-level and micromechanics-level random variables can be selected, the latter by means of the Aboudi micromechanics model. A number of sample problems are solved to verify the accuracy of the procedures developed and to quantify the variability of certain material type/structure combinations. Experimental data is compared in many cases, and the Monte Carlo simulation method is used to check the probabilistic results. In general, the procedure is quite effective in modeling the mean and variance response of the linear and nonlinear behavior of laminated composite shells.

  11. Exchange bias phenomenology and models of core/shell nanoparticles.

    PubMed

    Iglesias, Oscar; Labarta, Amílcar; Batlle, Xavier

    2008-06-01

    Some of the main experimental observations related to the occurrence of exchange bias in magnetic systems are reviewed, focusing the attention on the peculiar phenomenology associated to nanoparticles with core/shell structure as compared to thin film bilayers. The main open questions posed by the experimental observations are presented and contrasted to existing theories and models for exchange bias formulated up to date. We also present results of simulations based on a simple model of a core/shell nanoparticle in which the values of microscopic parameters such as anisotropy and exchange constants can be tuned in the core, shell and at the interfacial regions, offering new insight on the microscopic origin of the experimental phenomenology. A detailed study of the magnetic order of the interfacial spins shows compelling evidence that most of the experimentally observed effects can be qualitatively accounted within the context of this model and allows also to quantify the magnitude of the loop shifts in striking agreement with the macroscopic observed values.

  12. The shell model as a unified view of nuclear structure

    SciTech Connect

    Caurier, E.; Martinez-Pinedo, G.; Nowacki, F.; Poves, A.; Zuker, A.P.

    2005-04-01

    The last decade has witnessed both quantitative and qualitative progress in shell-model studies, which have resulted in remarkable gains in our understanding of the structure of the nucleus. Indeed, it is now possible to diagonalize matrices in determinantal spaces of dimensionality up to 10{sup 9} using the Lanczos tridiagonal construction, whose formal and numerical aspects are analyzed in this review. In addition, many new approximation methods have been developed in order to overcome the dimensionality limitations. New effective nucleon-nucleon interactions have been constructed that contain both two- and three-body contributions. The former are derived from realistic potentials (i.e., potentials consistent with two-nucleon data). The latter incorporate the pure monopole terms necessary to correct the bad saturation and shell-formation properties of the realistic two-body forces. This combination appears to solve a number of hitherto puzzling problems. The present review concentrates on those results which illustrate the global features of the approach: the universality of the effective interaction and the capacity of the shell model to describe simultaneously all the manifestations of the nuclear dynamics, either single-particle or collective in nature. The review also treats in some detail the problems associated with rotational motion, the origin of quenching of the Gamow-Teller transitions, double-{beta} decays, the effect of isospin nonconserving nuclear forces, and the specificities of neutron-rich nuclei. Many other calculations--which appear to have 'merely' spectroscopic interest--are touched upon briefly, although the authors are fully aware that much of the credibility of the shell model rests on them.

  13. The shell model as a unified view of nuclear structure

    NASA Astrophysics Data System (ADS)

    Caurier, E.; Martínez-Pinedo, G.; Nowacki, F.; Poves, A.; Zuker, A. P.

    2005-04-01

    The last decade has witnessed both quantitative and qualitative progress in shell-model studies, which have resulted in remarkable gains in our understanding of the structure of the nucleus. Indeed, it is now possible to diagonalize matrices in determinantal spaces of dimensionality up to 109 using the Lanczos tridiagonal construction, whose formal and numerical aspects are analyzed in this review. In addition, many new approximation methods have been developed in order to overcome the dimensionality limitations. New effective nucleon-nucleon interactions have been constructed that contain both two- and three-body contributions. The former are derived from realistic potentials (i.e., potentials consistent with two-nucleon data). The latter incorporate the pure monopole terms necessary to correct the bad saturation and shell-formation properties of the realistic two-body forces. This combination appears to solve a number of hitherto puzzling problems. The present review concentrates on those results which illustrate the global features of the approach: the universality of the effective interaction and the capacity of the shell model to describe simultaneously all the manifestations of the nuclear dynamics, either single-particle or collective in nature. The review also treats in some detail the problems associated with rotational motion, the origin of quenching of the Gamow-Teller transitions, double- β decays, the effect of isospin nonconserving nuclear forces, and the specificities of neutron-rich nuclei. Many other calculations—which appear to have “merely” spectroscopic interest—are touched upon briefly, although the authors are fully aware that much of the credibility of the shell model rests on them.

  14. Phases and phase transitions in the algebraic microscopic shell model

    NASA Astrophysics Data System (ADS)

    Georgieva, A. I.; Drumev, K. P.

    2016-01-01

    We explore the dynamical symmetries of the shell model number conserving algebra, which define three types of pairing and quadrupole phases, with the aim to obtain the prevailing phase or phase transition for the real nuclear systems in a single shell. This is achieved by establishing a correspondence between each of the pairing bases with the Elliott's SU(3) basis that describes collective rotation of nuclear systems. This allows for a complete classification of the basis states of different number of particles in all the limiting cases. The probability distribution of the SU(3) basis states within theirs corresponding pairing states is also obtained. The relative strengths of dynamically symmetric quadrupole-quadrupole interaction in respect to the isoscalar, isovector and total pairing interactions define a control parameter, which estimates the importance of each term of the Hamiltonian in the correct reproduction of the experimental data for the considered nuclei.

  15. Sensitivity analysis of random shell-model interactions

    NASA Astrophysics Data System (ADS)

    Krastev, Plamen; Johnson, Calvin

    2010-02-01

    The input to the configuration-interaction shell model includes many dozens or even hundreds of independent two-body matrix elements. Previous studies have shown that when fitting to experimental low-lying spectra, the greatest sensitivity is to only a few linear combinations of matrix elements. Following Brown and Richter [1], here we consider general two-body interactions in the 1s-0d shell and find that the low-lying spectra are also only sensitive to a few linear combinations of two-body matrix elements. We find out in particular the ground state energies for both the random and non-random (here given by the USDB) interaction are dominated by similar matrix elements, which we try to interpret in terms of monopole and contact interactions, while the excitation energies have completely different character. [4pt] [1] B. Alex Brown and W. A. Richter, Phys. Rev. C 74, 034315 (2006) )

  16. Shell-model phenomenology of low-momentum interactions

    NASA Astrophysics Data System (ADS)

    Schwenk, Achim; Zuker, Andrés P.

    2006-12-01

    The first detailed comparison of the low-momentum interaction Vlowk with G matrices is presented. We use overlaps to measure quantitatively the similarity of shell-model matrix elements for different cutoffs and oscillator frequencies. Over a wide range, all sets of Vlowk matrix elements can be approximately obtained from a universal set by a simple scaling. In an oscillator mean-field approach, Vlowk reproduces satisfactorily many features of the single-particle and single-hole spectra on closed-shell nuclei, in particular through remarkably good splittings between spin-orbit partners on top of harmonic oscillator closures. The main deficiencies of pure two-nucleon interactions are associated with binding energies and with the failure to ensure magicity for the extruder-intruder closures. Here, calculations including three-nucleon interactions are most needed. Vlowk makes it possible to define directly a meaningful unperturbed monopole Hamiltonian, for which the inclusion of three-nucleon forces is tractable.

  17. Microscopic Shell Model Calculations for the Fluorine Isotopes

    NASA Astrophysics Data System (ADS)

    Barrett, Bruce R.; Dikmen, Erdal; Maris, Pieter; Vary, James P.; Shirokov, Andrey M.

    2015-10-01

    Using a formalism based on the No Core Shell Model (NCSM), we have determined miscroscopically the core and single-particle energies and the effective two-body interactions that are the input to standard shell model (SSM) calculations. The basic idea is to perform a succession of a Okubo-Lee-Suzuki (OLS) transformation, a NCSM calculation, and a second OLS transformation to a further reduced space, such as the sd-shell, which allows the separation of the many-body matrix elements into an ``inert'' core part plus a few valence-nucleons calculation. In the present investigation we use this technique to calculate the properties of the nuclides in the Fluorine isotopic chain, using the JISP16 nucleon-nucleon interaction. The obtained SSM input, along with the results of the SSM calculations for the Fluorine isotopes, will be presented. This work supported in part by TUBITAK-BIDEB, the US DOE, the US NSF, NERSC, and the Russian Ministry of Education and Science.

  18. Estimation of Schiff moments using the nuclear shell model

    NASA Astrophysics Data System (ADS)

    Teruya, Eri; Yoshinaga, Naotaka; Arai, Ryoichi; Higashiyama, Koji

    2014-09-01

    The existence of finite permanent electric dipole moment (EDM) of an elementary particle or an atom indicates violation of time-reversal symmetry. The time reversal invariance implies violation of charge and parity symmetry through the CPT theorem. The predicted fundamental particle's EDMs are too small to be observed in the Standard Model. However, some models beyond the Standard Model produce much larger EDMs which may be observed in future. Thus, if we observe finite EDMs, we can conclude that we need a new extended model for the Standard Model and the specific value of an EDM gives a constraint on constructing a new model. Experimental efforts searching for atomic EDMs are now in progress. The EDM of a neutral atom is mainly induced by the nuclear Schiff moment, since the electron EDM is very small and the nuclear EDM is shielded by outside electrons owing to the Schiff theorem. In this work we estimate the Schiff moments for the lowest 1/2+ states of Xe isotopes around the mass 130. The nuclear wave functions beyond mean-field theories are calculated in terms of the nuclear shell model. We discuss influences of core excitations and over shell excitations on the Schiff moments.

  19. Analgesic Effects of GpTx-1, PF-04856264 and CNV1014802 in a Mouse Model of NaV1.7-Mediated Pain

    PubMed Central

    Deuis, Jennifer R.; Wingerd, Joshua S.; Winter, Zoltan; Durek, Thomas; Dekan, Zoltan; Sousa, Silmara R.; Zimmermann, Katharina; Hoffmann, Tali; Weidner, Christian; Nassar, Mohammed A.; Alewood, Paul F.; Lewis, Richard J.; Vetter, Irina

    2016-01-01

    Loss-of-function mutations of NaV1.7 lead to congenital insensitivity to pain, a rare condition resulting in individuals who are otherwise normal except for the inability to sense pain, making pharmacological inhibition of NaV1.7 a promising therapeutic strategy for the treatment of pain. We characterized a novel mouse model of NaV1.7-mediated pain based on intraplantar injection of the scorpion toxin OD1, which is suitable for rapid in vivo profiling of NaV1.7 inhibitors. Intraplantar injection of OD1 caused spontaneous pain behaviors, which were reversed by co-injection with NaV1.7 inhibitors and significantly reduced in NaV1.7−/− mice. To validate the use of the model for profiling NaV1.7 inhibitors, we determined the NaV selectivity and tested the efficacy of the reported NaV1.7 inhibitors GpTx-1, PF-04856264 and CNV1014802 (raxatrigine). GpTx-1 selectively inhibited NaV1.7 and was effective when co-administered with OD1, but lacked efficacy when delivered systemically. PF-04856264 state-dependently and selectively inhibited NaV1.7 and significantly reduced OD1-induced spontaneous pain when delivered locally and systemically. CNV1014802 state-dependently, but non-selectively, inhibited NaV channels and was only effective in the OD1 model when delivered systemically. Our novel model of NaV1.7-mediated pain based on intraplantar injection of OD1 is thus suitable for the rapid in vivo characterization of the analgesic efficacy of NaV1.7 inhibitors. PMID:26999206

  20. Analgesic Effects of GpTx-1, PF-04856264 and CNV1014802 in a Mouse Model of NaV1.7-Mediated Pain.

    PubMed

    Deuis, Jennifer R; Wingerd, Joshua S; Winter, Zoltan; Durek, Thomas; Dekan, Zoltan; Sousa, Silmara R; Zimmermann, Katharina; Hoffmann, Tali; Weidner, Christian; Nassar, Mohammed A; Alewood, Paul F; Lewis, Richard J; Vetter, Irina

    2016-03-17

    Loss-of-function mutations of Na(V)1.7 lead to congenital insensitivity to pain, a rare condition resulting in individuals who are otherwise normal except for the inability to sense pain, making pharmacological inhibition of Na(V)1.7 a promising therapeutic strategy for the treatment of pain. We characterized a novel mouse model of Na(V)1.7-mediated pain based on intraplantar injection of the scorpion toxin OD1, which is suitable for rapid in vivo profiling of Na(V)1.7 inhibitors. Intraplantar injection of OD1 caused spontaneous pain behaviors, which were reversed by co-injection with Na(V)1.7 inhibitors and significantly reduced in Na(V)1.7(-/-) mice. To validate the use of the model for profiling Na(V)1.7 inhibitors, we determined the Na(V) selectivity and tested the efficacy of the reported Na(V)1.7 inhibitors GpTx-1, PF-04856264 and CNV1014802 (raxatrigine). GpTx-1 selectively inhibited Na(V)1.7 and was effective when co-administered with OD1, but lacked efficacy when delivered systemically. PF-04856264 state-dependently and selectively inhibited Na(V)1.7 and significantly reduced OD1-induced spontaneous pain when delivered locally and systemically. CNV1014802 state-dependently, but non-selectively, inhibited Na(V) channels and was only effective in the OD1 model when delivered systemically. Our novel model of Na(V)1.7-mediated pain based on intraplantar injection of OD1 is thus suitable for the rapid in vivo characterization of the analgesic efficacy of Na(V)1.7 inhibitors.

  1. Shell model approach for nuclei with mass around 220

    NASA Astrophysics Data System (ADS)

    Kaiura, Yukiko; Yoshinaga, Naotaka; Higashiyama, Koji

    2014-09-01

    Ra and Th isotopes with mass around 220 belonging to a transitional region between spherical and deformed regions have fascinated our interest from the past. In particular, since a large number of negative parity states are observed in low-lying states, collective octupole correlations are supposed to be important. In this talk we report the nuclear structure of Po, Rn, Ra and Th isotopes in terms of the pair truncated shell model, the basic ingredients of which consist of nuclear collective models. The 208Pb is considered as the doubly-magic core. The conventional pairing plus quadrupole interaction is employed. Energy levels and electric transitions are compared between theory and experiment.

  2. A Shell Model for Free Vibration Analysis of Carbon Nanoscroll

    PubMed Central

    Taraghi Osguei, Amin; Ahmadian, Mohamad Taghi; Asghari, Mohsen; Pugno, Nicola Maria

    2017-01-01

    Carbon nanoscroll (CNS) is a graphene sheet rolled into a spiral structure with great potential for different applications in nanotechnology. In this paper, an equivalent open shell model is presented to study the vibration behavior of a CNS with arbitrary boundary conditions. The equivalent parameters used for modeling the carbon nanotubes are implemented to simulate the CNS. The interactions between the layers of CNS due to van der Waals forces are included in the model. The uniformly distributed translational and torsional springs along the boundaries are considered to achieve a unified solution for different boundary conditions. To study the vibration characteristics of CNS, total energy including strain energy, kinetic energy, and van der Waals energy are minimized using the Rayleigh-Ritz technique. The first-order shear deformation theory has been utilized to model the shell. Chebyshev polynomials of first kind are used to obtain the eigenvalue matrices. The natural frequencies and corresponding mode shapes of CNS in different boundary conditions are evaluated. The effect of electric field in axial direction on the natural frequencies and mode shapes of CNS is investigated. The results indicate that, as the electric field increases, the natural frequencies decrease. PMID:28772748

  3. A Shell Model for Free Vibration Analysis of Carbon Nanoscroll.

    PubMed

    Taraghi Osguei, Amin; Ahmadian, Mohamad Taghi; Asghari, Mohsen; Pugno, Nicola Maria

    2017-04-06

    Carbon nanoscroll (CNS) is a graphene sheet rolled into a spiral structure with great potential for different applications in nanotechnology. In this paper, an equivalent open shell model is presented to study the vibration behavior of a CNS with arbitrary boundary conditions. The equivalent parameters used for modeling the carbon nanotubes are implemented to simulate the CNS. The interactions between the layers of CNS due to van der Waals forces are included in the model. The uniformly distributed translational and torsional springs along the boundaries are considered to achieve a unified solution for different boundary conditions. To study the vibration characteristics of CNS, total energy including strain energy, kinetic energy, and van der Waals energy are minimized using the Rayleigh-Ritz technique. The first-order shear deformation theory has been utilized to model the shell. Chebyshev polynomials of first kind are used to obtain the eigenvalue matrices. The natural frequencies and corresponding mode shapes of CNS in different boundary conditions are evaluated. The effect of electric field in axial direction on the natural frequencies and mode shapes of CNS is investigated. The results indicate that, as the electric field increases, the natural frequencies decrease.

  4. PF-06463922, an ALK/ROS1 inhibitor, overcomes resistance to 1st and 2nd generation ALK inhibitors in pre-clinical models

    PubMed Central

    Zou, Helen Y.; Friboulet, Luc; Kodack, David P.; Engstrom, Lars D.; Li, Qiuhua; West, Melissa; Tang, Ruth W.; Wang, Hui; Tsaparikos, Konstantinos; Wang, Jinwei; Timofeevski, Sergei; Katayama, Ryohei; Dinh, Dac M.; Lam, Hieu; Lam, Justine L.; Yamazaki, Shinji; Hu, Wenyue; Patel, Bhushankumar; Bezwada, Divya; Frias, Rosa L.; Lifshits, Eugene; Mahmood, Sidra; Gainor, Justin F.; Affolter, Timothy; Lappin, Patrick B.; Gukasyan, Hovhannes; Lee, Nathan; Deng, Shibing; Jain, Rakesh K; Johnson, Ted W.; Shaw, Alice T.; Fantin, Valeria R.; Smeal, Tod

    2015-01-01

    SUMMARY We report the preclinical evaluation of PF-06463922, a potent and brain penetrant ALK/ROS1 inhibitor. Compared to other clinically available ALK inhibitors, PF-06463922 displayed superior potency against all known clinically acquired ALK mutations, including the highly resistant G1202R mutant. Furthermore, PF-06463922 treatment led to regression of EML4-ALK driven brain metastases, leading to prolonged mouse survival, in a superior manner. Finally, PF-06463922 demonstrated high selectivity and safety margins in a variety of preclinical studies. These results suggest that PF-06463922 will be highly effective for the treatment of patients with ALK-driven lung cancers, including those who relapsed on clinically available ALK inhibitors due to secondary ALK kinase domain mutations and/or due to the failed control of brain metastases. PMID:26144315

  5. The nuclear shell model toward the drip lines

    NASA Astrophysics Data System (ADS)

    Poves, A.; Caurier, E.; Nowacki, F.; Sieja, K.

    2012-10-01

    We describe the 'islands of inversion' that occur when approaching the neutron drip line around the magic numbers N=20, N=28 and N=40 in the framework of the interacting shell model in very large valence spaces. We explain these configuration inversions (and the associated shape transitions) as the result of the competition between the spherical mean field (monopole) that favors magicity and the correlations (multipole) that favor deformed intruder states. We also show that the N=20 and N=28 islands are in reality a single one, which for the magnesium isotopes is limited by N=18 and N=32.

  6. Shell-model calculations of nuclei around mass 130

    NASA Astrophysics Data System (ADS)

    Teruya, E.; Yoshinaga, N.; Higashiyama, K.; Odahara, A.

    2015-09-01

    Shell-model calculations are performed for even-even, odd-mass, and doubly-odd nuclei of Sn, Sb, Te, I, Xe, Cs, and Ba isotopes around mass 130 using the single-particle space made up of valence nucleons occupying the 0 g7 /2 ,1 d5 /2 ,2 s1 /2 ,0 h11 /2 , and 1 d3 /2 orbitals. The calculated energies and electromagnetic transitions are compared with the experimental data. In addition, several typical isomers in this region are investigated.

  7. Shell model of optimal passive-scalar mixing

    NASA Astrophysics Data System (ADS)

    Miles, Christopher; Doering, Charles

    2015-11-01

    Optimal mixing is significant to process engineering within industries such as food, chemical, pharmaceutical, and petrochemical. An important question in this field is ``How should one stir to create a homogeneous mixture while being energetically efficient?'' To answer this question, we consider an initially unmixed scalar field representing some concentration within a fluid on a periodic domain. This passive-scalar field is advected by the velocity field, our control variable, constrained by a physical quantity such as energy or enstrophy. We consider two objectives: local-in-time (LIT) optimization (what will maximize the mixing rate now?) and global-in-time (GIT) optimization (what will maximize mixing at the end time?). Throughout this work we use the H-1 mix-norm to measure mixing. To gain a better understanding, we provide a simplified mixing model by using a shell model of passive-scalar advection. LIT optimization in this shell model gives perfect mixing in finite time for the energy-constrained case and exponential decay to the perfect-mixed state for the enstrophy-constrained case. Although we only enforce that the time-average energy (or enstrophy) equals a chosen value in GIT optimization, interestingly, the optimal control keeps this value constant over time.

  8. Optimal subgrid scheme for shell models of turbulence

    NASA Astrophysics Data System (ADS)

    Biferale, Luca; Mailybaev, Alexei A.; Parisi, Giorgio

    2017-04-01

    We discuss a theoretical framework to define an optimal subgrid closure for shell models of turbulence. The closure is based on the ansatz that consecutive shell multipliers are short-range correlated, following the third hypothesis of Kolmogorov formulated for similar quantities for the original three-dimensional Navier-Stokes turbulence. We also propose a series of systematic approximations to the optimal model by assuming different degrees of correlations across scales among amplitudes and phases of consecutive multipliers. We show numerically that such low-order closures work well, reproducing all known properties of the large-scale dynamics including anomalous scaling. We found small but systematic discrepancies only for a range of scales close to the subgrid threshold, which do not tend to disappear by increasing the order of the approximation. We speculate that the lack of convergence might be due to a structural instability, at least for the evolution of very fast degrees of freedom at small scales. Connections with similar problems for large eddy simulations of the three-dimensional Navier-Stokes equations are also discussed.

  9. A shell finite element model of the pelvic floor muscles.

    PubMed

    d'Aulignac, D; Martins, J A C; Pires, E B; Mascarenhas, T; Jorge, R M Natal

    2005-10-01

    The pelvic floor gives support to the organs in the abdominal cavity. Using the dataset made public in (Janda et al. J. Biomech. (2003) 36(6), pp. 749-757), we have reconstructed the geometry of one of the most important parts of the pelvic floor, the levator ani, using NURB surfaces. Once the surface is triangulated, the corresponding mesh is used in a finite element analysis with shell elements. Based on the 3D behavior of the muscle we have constructed a shell that takes into account the direction of the muscle fibers and the incompressibility of the tissue. The constitutive model for the isotropic strain energy and the passive strain energy stored in the fibers is adapted from Humphrey's model for cardiac muscles. To this the active behavior of the skeletal muscle is added. We present preliminary results of a simulation of the levator ani muscle under pressure and with active contraction. This research aims at helping simulate the damages to the pelvic floor that can occur after childbirth.

  10. Shell model level structure of {sup 216}Fr

    SciTech Connect

    Sheline, R.K.; Liang, C.F.; Paris, P.; Gizon, A.

    1997-03-01

    Sources of {sup 220}Ac in secular equilibrium with {sup 221}Pa were produced using the reaction {sup 209}Bi({sup 18}O,3n){sup 224}Pa. The alpha decay of {sup 220}Ac and coincident gamma and electron spectra were used to study the level structure of {sup 216}Fr. The levels in {sup 216}Fr can be interpreted in terms of the {pi}(h{sub 9/2}){sub 9/2}{sup 5}{nu}(g{sub 9/2}){sub 9/2}{sup 3}, {pi}(h{sub 9/2}){sub 0}{sup 4}(f{sub 7/2}){sub 7/2}{nu}(g{sub 9/2}){sub 9/2}{sup 3}, and {pi}(h{sub 9/2}){sub 9/2}{sup 5}{nu}(g{sub 9/2}){sub 0}{sup 2}(i{sub 11/2}){sub 11/2} shell model configurations. The alpha decay hindrance factors of the ground state to ground state transitions in the sequence {sup 224}Pa{r_arrow}{sup 220}Ac{r_arrow}{sup 216}Fr{r_arrow}{sup 212}At suggest the collapse of quadrupole-octupole Nilsson orbitals into the more degenerate shell model orbitals. The sequence of hindrance factors in this odd chain are mirrored in the corresponding odd proton and odd neutron sequences beginning with {sup 223}Pa and {sup 223}Th, respectively. {copyright} {ital 1997} {ital The American Physical Society}

  11. Shell-model-based deformation analysis of light cadmium isotopes

    NASA Astrophysics Data System (ADS)

    Schmidt, T.; Heyde, K. L. G.; Blazhev, A.; Jolie, J.

    2017-07-01

    Large-scale shell-model calculations for the even-even cadmium isotopes 98Cd-108Cd have been performed with the antoine code in the π (2 p1 /2;1 g9 /2) ν (2 d5 /2;3 s1 /2;2 d3 /2;1 g7 /2;1 h11 /2) model space without further truncation. Known experimental energy levels and B (E 2 ) values could be well reproduced. Taking these calculations as a starting ground we analyze the deformation parameters predicted for the Cd isotopes as a function of neutron number N and spin J using the methods of model independent invariants introduced by Kumar [Phys. Rev. Lett. 28, 249 (1972), 10.1103/PhysRevLett.28.249] and Cline [Annu. Rev. Nucl. Part. Sci. 36, 683 (1986), 10.1146/annurev.ns.36.120186.003343].

  12. Shell model description of low-lying states in Po and Rn isotopes

    NASA Astrophysics Data System (ADS)

    Higashiyama, Koji; Yoshinaga, Naotaka

    2014-03-01

    Nuclear structure of the Po and Rn isotopes is theoretically studied in terms of the spherical shell model with the monopole- and quadrupole-pairing plus quadrupole-quadrupole effective interaction. The experimental energy levels of low-lying states are well reproduced. The shell model results are examined in detail in a pair-truncated shell model. The analysis reveals the alignment of two protons in the 0h9/2 orbital at spin 8.

  13. Inverse energy cascade in nonlocal helical shell models of turbulence

    NASA Astrophysics Data System (ADS)

    De Pietro, Massimo; Biferale, Luca; Mailybaev, Alexei A.

    2015-10-01

    Following the exact decomposition in eigenstates of helicity for the Navier-Stokes equations in Fourier space [F. Waleffe, Phys. Fluids A 4, 350 (1992), 10.1063/1.858309], we introduce a modified version of helical shell models for turbulence with nonlocal triadic interactions. By using both an analytical argument and numerical simulation, we show that there exists a class of models, with a specific helical structure, that exhibits a statistically stable inverse energy cascade, in close analogy with that predicted for the Navier-Stokes equations restricted to the same helical interactions. We further support the idea that turbulent energy transfer is the result of a strong entanglement among triads possessing different transfer properties.

  14. Shell-model phenomenology of low-momentum interactions

    SciTech Connect

    Schwenk, Achim; Zuker, Andres P.

    2006-12-15

    The first detailed comparison of the low-momentum interaction V{sub lowk} with G matrices is presented. We use overlaps to measure quantitatively the similarity of shell-model matrix elements for different cutoffs and oscillator frequencies. Over a wide range, all sets of V{sub lowk} matrix elements can be approximately obtained from a universal set by a simple scaling. In an oscillator mean-field approach, V{sub lowk} reproduces satisfactorily many features of the single-particle and single-hole spectra on closed-shell nuclei, in particular through remarkably good splittings between spin-orbit partners on top of harmonic oscillator closures. The main deficiencies of pure two-nucleon interactions are associated with binding energies and with the failure to ensure magicity for the extruder-intruder closures. Here, calculations including three-nucleon interactions are most needed. V{sub lowk} makes it possible to define directly a meaningful unperturbed monopole Hamiltonian, for which the inclusion of three-nucleon forces is tractable.

  15. Development of the Delta Shell as an integrated modeling environment

    NASA Astrophysics Data System (ADS)

    Donchyts, Gennadii; Baart, Fedor; Jagers, Bert

    2010-05-01

    Many engineering problem require the use of multiple numerical models from multiple disciplines. For example the use of river model for flow calculation coupled with groundwater model and rainfall-runoff model. These models need to be setup, coupled, run, results need to be visualized, input and output data need to be stored. For some of these steps a software or standards already exist, but there is a need for an environment allowing to perform all these steps.The goal of the present work is to create a modeling environment where models from different domains can perform all the sixe steps: setup, couple, run, visualize, store. This presentation deals with the different problems which arise when setting up a modelling framework, such as terminology, numerical aspects as well as the software development issues which arise. In order to solve these issues we use Domain Driven Design methods, available open standards and open source components. While creating an integrated modeling environment we have identified that a separation of the following domains is essential: a framework allowing to link and exchange data between models; a framework allowing to integrate different components of the environment; graphical user interface; GIS; hybrid relational and multi-dimensional data store; discipline-specific libraries: river hydrology, morphology, water quality, statistics; model-specific components Delta Shell environment which is the basis for several products such as HABITAT, SOBEK and the future Delft3D interface. It implements and integrates components covering the above mentioned domains by making use of open standards and open source components. Different components have been developed to fill in gaps. For exchaning data with the GUI an object oriented scientific framework in .NET was developed within Delta Shell somewhat similar to the JSR-275. For the GIS domain several OGC standards were used such as SFS, WCS and WFS. For storage the CF standard together with

  16. Electronic states of PF 2 and PF +2

    NASA Astrophysics Data System (ADS)

    Latifzadeh, Lida; Balasubramanian, K.

    1994-10-01

    The ground and excited electronic states of PF 2 and PF +2 have been investigated using the complete active space self-consistent field (CASSCF) followed by multi-reference singles and doubles configuration interaction (MRSDCI) methods that include up to 1.2 million configurations. These states include X 2B 1, 4A 2, 2A 1(I), 2A 1(II), 2A 2, 2B 2(I), 2B 2(II), 4B 1, 2B 1(II) for PF 2 and 1A 1, 3B 1, 1B 1 for PF +2. Both all-electron computations employing large basis sets and relativistic effective core potentials using valence basis sets were carried out. The spectroscopic properties were determined for the bound states. The dissociation energy of PFF is obtained using the full second-order configuration interaction (SOCI) and CASSCF/MRSDCI methods.

  17. Multizone shell model for turbulent wall bounded flows.

    PubMed

    L'vov, Victor S; Pomyalov, Anna; Tiberkevich, Vasil

    2003-10-01

    We suggested a multizone shell (MZS) model for wall-bounded flows accounting for the space inhomogeneity in a piecewise approximation, in which the cross-sectional area of the flow, S, is subdivided into j zones. The area of the first zone, responsible for the core of the flow, S1 approximately S/2, and the areas of the next j zones, S(j), decrease toward the wall like S(j) proportional, variant 2(-j). In each j zone the statistics of turbulence is assumed to be space homogeneous and is described by the set of shell velocities u(nj)(t) for turbulent fluctuations of the scale proportional to 2(-n). The MZS model includes a set of complex variables V(j)(t), j=1,2, em leader, infinity, describing the amplitudes of the near-wall coherent structures of the scale s(j) approximately 2(-j) and responsible for the mean velocity profile. The suggested MZS equations of motion for u(nj)(t) and V(j)(t) preserve the actual conservation laws (energy, mechanical, and angular momenta), respect the existing symmetries (including Galilean and scale invariance), and account for the type of nonlinearity in the Navier-Stokes equation, dimensional reasoning, etc. The MZS model qualitatively describes important characteristics of the wall-bounded turbulence, e.g., evolution of the mean velocity profile with increasing Reynolds number Re from the laminar profile toward the universal logarithmic profile near the flat-plane boundary layer as Re--> infinity.

  18. Logarithmic discretization and systematic derivation of shell models in two-dimensional turbulence.

    PubMed

    Gürcan, Ö D; Morel, P; Kobayashi, S; Singh, Rameswar; Xu, S; Diamond, P H

    2016-09-01

    A detailed systematic derivation of a logarithmically discretized model for two-dimensional turbulence is given, starting from the basic fluid equations and proceeding with a particular form of discretization of the wave-number space. We show that it is possible to keep all or a subset of the interactions, either local or disparate scale, and recover various limiting forms of shell models used in plasma and geophysical turbulence studies. The method makes no use of the conservation laws even though it respects the underlying conservation properties of the fluid equations. It gives a family of models ranging from shell models with nonlocal interactions to anisotropic shell models depending on the way the shells are constructed. Numerical integration of the model shows that energy and enstrophy equipartition seem to dominate over the dual cascade, which is a common problem of two-dimensional shell models.

  19. Modeling complicated rheological behaviors in encapsulating shells of lipid-coated microbubbles accounting for nonlinear changes of both shell viscosity and elasticity.

    PubMed

    Li, Qian; Matula, Thomas J; Tu, Juan; Guo, Xiasheng; Zhang, Dong

    2013-02-21

    It has been accepted that the dynamic responses of ultrasound contrast agent (UCA) microbubbles will be significantly affected by the encapsulating shell properties (e.g., shell elasticity and viscosity). In this work, a new model is proposed to describe the complicated rheological behaviors in an encapsulating shell of UCA microbubbles by applying the nonlinear 'Cross law' to the shell viscous term in the Marmottant model. The proposed new model was verified by fitting the dynamic responses of UCAs measured with either a high-speed optical imaging system or a light scattering system. The comparison results between the measured radius-time curves and the numerical simulations demonstrate that the 'compression-only' behavior of UCAs can be successfully simulated with the new model. Then, the shell elastic and viscous coefficients of SonoVue microbubbles were evaluated based on the new model simulations, and compared to the results obtained from some existing UCA models. The results confirm the capability of the current model for reducing the dependence of bubble shell parameters on the initial bubble radius, which indicates that the current model might be more comprehensive to describe the complex rheological nature (e.g., 'shear-thinning' and 'strain-softening') in encapsulating shells of UCA microbubbles by taking into account the nonlinear changes of both shell elasticity and shell viscosity.

  20. Modeling complicated rheological behaviors in encapsulating shells of lipid-coated microbubbles accounting for nonlinear changes of both shell viscosity and elasticity

    NASA Astrophysics Data System (ADS)

    Li, Qian; Matula, Thomas J.; Tu, Juan; Guo, Xiasheng; Zhang, Dong

    2013-02-01

    It has been accepted that the dynamic responses of ultrasound contrast agent (UCA) microbubbles will be significantly affected by the encapsulating shell properties (e.g., shell elasticity and viscosity). In this work, a new model is proposed to describe the complicated rheological behaviors in an encapsulating shell of UCA microbubbles by applying the nonlinear ‘Cross law’ to the shell viscous term in the Marmottant model. The proposed new model was verified by fitting the dynamic responses of UCAs measured with either a high-speed optical imaging system or a light scattering system. The comparison results between the measured radius-time curves and the numerical simulations demonstrate that the ‘compression-only’ behavior of UCAs can be successfully simulated with the new model. Then, the shell elastic and viscous coefficients of SonoVue microbubbles were evaluated based on the new model simulations, and compared to the results obtained from some existing UCA models. The results confirm the capability of the current model for reducing the dependence of bubble shell parameters on the initial bubble radius, which indicates that the current model might be more comprehensive to describe the complex rheological nature (e.g., ‘shear-thinning’ and ‘strain-softening’) in encapsulating shells of UCA microbubbles by taking into account the nonlinear changes of both shell elasticity and shell viscosity.

  1. Shell model level structure in [sup 215]At

    SciTech Connect

    Liang, C.F.; Paris, P. ); Sheline, R.K. )

    1993-04-01

    Mass separated sources of [sup 223]Ac with [sup 219]Fr in secular equilibrium were used to study the level structure of [sup 215]At following alpha decay of [sup 219]Fr. The levels in [sup 215]At can be interpreted in terms of the [pi]([ital h][sub 9/2])[sup 3][nu]([ital g][sub 9/2])[sup 4], [pi]([ital h][sub 9/2])[sup 2][ital f][sub 7/2][nu]([ital g][sub 9/2])[sup 4], and [pi]([ital h][sub 9/2])[sup 2][ital i][sub 13/2][nu]([ital g][sub 9/2])[sup 4] shell model configurations. No evidence for reflection asymmetry is found.

  2. New developments within the no-core shell model

    NASA Astrophysics Data System (ADS)

    Barrett, B. R.; Navrátil, P.; Nogga, A.; Ormand, W. E.; Quaglioni, S.; Stetcu, I.; Varyd, J. P.

    2006-10-01

    We review recent developments in the ab initio no-core shell model, such as the influence of 3NFs on the binding energies and excitation spectra of light nuclei. Our calculations permit us to compare the effect of different choices for the theoretical 3NF on the properties of light nuclei. This is of particular interest in determining the best choice of the values for the contact terms in 3NFs derived from Chiral Perturbation Theory. Other recent developments in the NCSM include an investigation of the renormalization properties of physical operators, besides the nuclear Hamiltonian, as well as the Lorentz integral transform approach to the description of select reaction observables in light nuclei.

  3. Energy cascade and irreversibility in reversible shell models of turbulence

    NASA Astrophysics Data System (ADS)

    de Pietro, Massimo; Cencini, Massimo; Biferale, Luca; Boffetta, Guido

    2016-11-01

    Dissipation breaks the time reversibility of the Navier-Stokes equation. It has been conjectured that forced-dissipated Navier-Stokes equations are "equivalent" to a modified version of the equations in which the dissipative term is modified such as to preserve the time-inversion symmetry. This can be realized choosing a velocity dependent viscosity in such a way to preserve a global quantity, e.g. energy or enstrophy. Here we present results on shell models of turbulence where time reversibility is restored following the mechanism originally suggested. We show that when the time-dependent viscosity is chosen such as to conserve enstrophy, the resulting reversible dynamics exhibit an energy cascade, sharing the same features of the standard irreversible cascade. We acknowledge funding from ERC ADG NewTURB No. 339032.

  4. No-core shell model in an EFT framework

    NASA Astrophysics Data System (ADS)

    Stetcu, Ionel; Torkkola, Juhani L.; Barrett, Bruce R.; van Kolck, Ubirajara

    2006-10-01

    Based on an effective field theory (EFT) that integrates out the pions as degrees of freedom (pionless theory), we present a new approach to the derivation of effective interactions suitable for many-body calculations by means of the no-core shell model. The main investigation is directed toward the description of two-body scattering observables in a restricted harmonic oscillator (HO) basis, and the inherent Gibbs oscillation problem which arises from the truncation of the Hilbert space using HO wave functions. Application of the effective interactions to the description of ^4He will be discussed. I.S. J.L.T, and B.R.B. acknowledge partial support by NSF grant numbers PHY0070858 and PHY0244389. U.v.K. acknowledges partial support from DOE grant number DE-FG02-04ER41338 and from the Sloan Foundation.

  5. Thin-Shell Modeling of Neotectonics of Japan

    NASA Astrophysics Data System (ADS)

    Sato, K.; Bird, P.

    2001-12-01

    In order to model the long-term tectonic deformation across all over Japan, a 2.5-D thin-shell finite element method has been applied. Our model space has a dimension of ~2700kmx1200km (along- and across-arc directions), which has been divided into about 6800 triangular thin-shells. Nonlinear rheology and lateral variations in topography, thickness of crust and mantle lithosphere, and heat flow at each node position are all incorporated. Topography is taken from the ETOPO5 data set, and crustal thickness is mostly based on the isodepth contours of the Moho. Thickness of mantle lithosphere has been determined so that it conserves isostasy at the base. For forearc regions, we use the isodepth contours of the upper surfaces of subducting oceanic plates, namely the Pacific and Philippine Sea plates, to define the geometry of the base of the model. Most of active or potentially active faults based on published geological maps are also included. We impose boundary conditions based on the NUVEL-1A and other recent plate motion models, and shear tractions due to the subduction of oceanic plates are applied along the base of forearc regions. Three data sets consisting of GPS velocities, maximum principal stress directions, and geological slip rates at faults are used to score each model and find an optimal model. The GPS velocities are from the GEONET (GPS Earth Observation Network) operated by Geographical Survey Institute of Japan. The maximum principal stress directions are taken from the WSM97 (World Stress Map 1997) data set, and the geological fault slip rates are based on published literatures. Some of preliminary results are as follows. (1)The strength of faults is quite low; the optimal fault friction is around 0.06. (2)The shear tractions should be less than ~15 MPa and ~10 MPa, respectively, for the Pacific and Philippine Sea plate subduction zones. These results are not much different from those obtained by our other studies for regions such as Alaska and Asia

  6. Benchmark calculation of no-core Monte Carlo shell model in light nuclei

    SciTech Connect

    Abe, T.; Shimizu, N.; Maris, P.; Vary, J. P.; Otsuka, T.; Utsuno, Y.

    2011-05-06

    The Monte Carlo shell model is firstly applied to the calculation of the no-core shell model in light nuclei. The results are compared with those of the full configuration interaction. The agreements between them are within a few % at most.

  7. Isogeometric phase-field modeling of brittle and ductile fracture in shell structures

    NASA Astrophysics Data System (ADS)

    Ambati, Marreddy; Kiendl, Josef; De Lorenzis, Laura

    2016-08-01

    Phase-field modeling of brittle and ductile fracture is a modern promising approach that enables a unified description of complicated failure processes (including crack initiation, propagation, branching, merging), as well as its efficient numerical treatment [1-4]. In the present work, we apply this approach to model fracture in shell structures, considering both thin and thick shells. For thin shells, we use an isogeometric Kirchhoff-Love shell formulation [5-6], which exploits the high continuity of the isogeometric shape functions in order to avoid rotational degrees of freedom, i.e., the shell geometry is modeled as a surface and its deformation is fully described by the displacements of this surface. For thick shells, we use an isogeometric assumed natural strain (ANS) solid shell formulation [7], i.e., a 3D solid formulation enhanced with the ANS method in order to alleviate geometrical locking effects. According to the discretization of the structural formulations, an isogeometric basis is also used for the phase-field. While the phase-field fracture formulation for solid shells is basically the same as for standard solids, some reformulation is necessary for thin shells, accounting for the interaction of stresses devoted to membrane and bending deformation. We test both formulations on several numerical examples and perform comparisons of the results obtained by the two methods to each other as well as to reference solutions, which confirm the validity and applicability of the presented methods.

  8. On the processing pf piecewise-constant signals by hierarchical models with application to single ion channel currents

    SciTech Connect

    Djuric, P.M.; Fwu, Jong-Kae; Jovanovic, S.; Lynn, K.

    1996-03-01

    A new approach for processing of piecewise-constant signals is proposed. It is based on modeling the observed data as a sum of a random signal and noise. The random signal has a Gibbs distribution, and the noise is Gaussian. A MAP criterion in derived for joint estimation of the number of signal levels and reconstruction of signal. The criterion comprises of three terms, one corresponding to the likelihood of the data and two to penalties. One penalty term penalizes for unnecessary transitions, and the other, for unnecessary levels. The method has been tested on synthesized data and applied to single ion channel recording.

  9. Tests of a protective shell passive release mechanism for hypersonic wind-tunnel models

    NASA Technical Reports Server (NTRS)

    Puster, R. L.; Dunn, J. E.

    1979-01-01

    A protective shell mechanism for wind tunnel models was developed and tested. The mechanism is passive in operation, reliable, and imposes no new structural design changes for wind tunnel models. Methods of predicting the release time and the measured loads associated with the release of the shell are given. The mechanism was tested in a series of wind tunnel tests to validate the removal process and measure the pressure loads on the model. The protective shell can be used for wind tunnel models that require a step input of heating and loading such as a thin skin heat transfer model. The mechanism may have other potential applications.

  10. Van der Waals coefficients beyond the classical shell model

    SciTech Connect

    Tao, Jianmin; Fang, Yuan; Hao, Pan; Scuseria, G. E.; Ruzsinszky, Adrienn; Perdew, John P.

    2015-01-14

    Van der Waals (vdW) coefficients can be accurately generated and understood by modelling the dynamic multipole polarizability of each interacting object. Accurate static polarizabilities are the key to accurate dynamic polarizabilities and vdW coefficients. In this work, we present and study in detail a hollow-sphere model for the dynamic multipole polarizability proposed recently by two of the present authors (JT and JPP) to simulate the vdW coefficients for inhomogeneous systems that allow for a cavity. The inputs to this model are the accurate static multipole polarizabilities and the electron density. A simplification of the full hollow-sphere model, the single-frequency approximation (SFA), circumvents the need for a detailed electron density and for a double numerical integration over space. We find that the hollow-sphere model in SFA is not only accurate for nanoclusters and cage molecules (e.g., fullerenes) but also yields vdW coefficients among atoms, fullerenes, and small clusters in good agreement with expensive time-dependent density functional calculations. However, the classical shell model (CSM), which inputs the static dipole polarizabilities and estimates the static higher-order multipole polarizabilities therefrom, is accurate for the higher-order vdW coefficients only when the interacting objects are large. For the lowest-order vdW coefficient C{sub 6}, SFA and CSM are exactly the same. The higher-order (C{sub 8} and C{sub 10}) terms of the vdW expansion can be almost as important as the C{sub 6} term in molecular crystals. Application to a variety of clusters shows that there is strong non-additivity of the long-range vdW interactions between nanoclusters.

  11. Recent Developments in No-Core Shell-Model Calculations

    SciTech Connect

    Navratil, P; Quaglioni, S; Stetcu, I; Barrett, B R

    2009-03-20

    We present an overview of recent results and developments of the no-core shell model (NCSM), an ab initio approach to the nuclear many-body problem for light nuclei. In this aproach, we start from realistic two-nucleon or two- plus three-nucleon interactions. Many-body calculations are performed using a finite harmonic-oscillator (HO) basis. To facilitate convergence for realistic inter-nucleon interactions that generate strong short-range correlations, we derive effective interactions by unitary transformations that are tailored to the HO basis truncation. For soft realistic interactions this might not be necessary. If that is the case, the NCSM calculations are variational. In either case, the ab initio NCSM preserves translational invariance of the nuclear many-body problem. In this review, we, in particular, highlight results obtained with the chiral two- plus three-nucleon interactions. We discuss efforts to extend the applicability of the NCSM to heavier nuclei and larger model spaces using importance-truncation schemes and/or use of effective interactions with a core. We outline an extension of the ab initio NCSM to the description of nuclear reactions by the resonating group method technique. A future direction of the approach, the ab initio NCSM with continuum, which will provide a complete description of nuclei as open systems with coupling of bound and continuum states is given in the concluding part of the review.

  12. A Novel Acidic Matrix Protein, PfN44, Stabilizes Magnesium Calcite to Inhibit the Crystallization of Aragonite*

    PubMed Central

    Pan, Cong; Fang, Dong; Xu, Guangrui; Liang, Jian; Zhang, Guiyou; Wang, Hongzhong; Xie, Liping; Zhang, Rongqing

    2014-01-01

    Magnesium is widely used to control calcium carbonate deposition in the shell of pearl oysters. Matrix proteins in the shell are responsible for nucleation and growth of calcium carbonate crystals. However, there is no direct evidence supporting a connection between matrix proteins and magnesium. Here, we identified a novel acidic matrix protein named PfN44 that affected aragonite formation in the shell of the pearl oyster Pinctada fucata. Using immunogold labeling assays, we found PfN44 in both the nacreous and prismatic layers. In shell repair, PfN44 was repressed, whereas other matrix proteins were up-regulated. Disturbing the function of PfN44 by RNAi led to the deposition of porous nacreous tablets with overgrowth of crystals in the nacreous layer. By in vitro circular dichroism spectra and fluorescence quenching, we found that PfN44 bound to both calcium and magnesium with a stronger affinity for magnesium. During in vitro calcium carbonate crystallization and calcification of amorphous calcium carbonate, PfN44 regulated the magnesium content of crystalline carbonate polymorphs and stabilized magnesium calcite to inhibit aragonite deposition. Taken together, our results suggested that by stabilizing magnesium calcite to inhibit aragonite deposition, PfN44 participated in P. fucata shell formation. These observations extend our understanding of the connections between matrix proteins and magnesium. PMID:24302723

  13. A novel acidic matrix protein, PfN44, stabilizes magnesium calcite to inhibit the crystallization of aragonite.

    PubMed

    Pan, Cong; Fang, Dong; Xu, Guangrui; Liang, Jian; Zhang, Guiyou; Wang, Hongzhong; Xie, Liping; Zhang, Rongqing

    2014-01-31

    Magnesium is widely used to control calcium carbonate deposition in the shell of pearl oysters. Matrix proteins in the shell are responsible for nucleation and growth of calcium carbonate crystals. However, there is no direct evidence supporting a connection between matrix proteins and magnesium. Here, we identified a novel acidic matrix protein named PfN44 that affected aragonite formation in the shell of the pearl oyster Pinctada fucata. Using immunogold labeling assays, we found PfN44 in both the nacreous and prismatic layers. In shell repair, PfN44 was repressed, whereas other matrix proteins were up-regulated. Disturbing the function of PfN44 by RNAi led to the deposition of porous nacreous tablets with overgrowth of crystals in the nacreous layer. By in vitro circular dichroism spectra and fluorescence quenching, we found that PfN44 bound to both calcium and magnesium with a stronger affinity for magnesium. During in vitro calcium carbonate crystallization and calcification of amorphous calcium carbonate, PfN44 regulated the magnesium content of crystalline carbonate polymorphs and stabilized magnesium calcite to inhibit aragonite deposition. Taken together, our results suggested that by stabilizing magnesium calcite to inhibit aragonite deposition, PfN44 participated in P. fucata shell formation. These observations extend our understanding of the connections between matrix proteins and magnesium.

  14. Spherical and spheroidal shells as models in magnetic detection

    SciTech Connect

    Frumkis, L.; Kaplan, B.Z.

    1999-09-01

    Magnetic detection is a widespread technique utilizing the Earth's magnetic field anomaly measurements in geophysics, in submarine detection, in environmental cleanup, and in detection of other hidden objects. The expressions for the scalar potentials of prolate and oblate spheroidal shells immersed in a dc uniform magnetic field are obtained. The expressions for the induced dipole moment of the shells are also evaluated. The problem is solved by finding solutions for the Laplace equation that satisfy boundary conditions at the shell surfaces. The shell thickness effect on the induced dipole moment and on its orientation are evaluated. The results appear to be useful for the analysis and for the prediction of magnetic signatures of hidden ferromagnetic objects belonging to a relatively large family.

  15. PF-4 actinide disposition strategy

    SciTech Connect

    Margevicius, Robert W

    2010-05-28

    The dwindling amount of Security Category I processing and storage space across the DOE Complex has driven the need for more effective storage of nuclear materials at LANL's Plutonium Facility's (PF-4's) vault. An effort was begun in 2009 to create a strategy, a roadmap, to identify all accountable nuclear material and determine their disposition paths, the PF-4 Actinide Disposition Strategy (PADS). Approximately seventy bins of nuclear materials with similar characteristics - in terms of isotope, chemical form, impurities, disposition location, etc. - were established in a database. The ultimate disposition paths include the material to remain at LANL, disposition to other DOE sites, and disposition to waste. If all the actions described in the document were taken, over half of the containers currently in the PF-4 vault would been eliminated. The actual amount of projected vault space will depend on budget and competing mission requirements, however, clearly a significant portion of the current LANL inventory can be either dispositioned or consolidated.

  16. Ab initio shell model with a chiral-symmetry-based three-nucleon force for the p-shell nuclei

    SciTech Connect

    Navratil, P; Hayes, A C; Vary, J P; Ormand, W E

    2003-10-14

    The ab initio no-core shell model (NCSM) is extended to include a realistic three-body interaction in calculations for p-shell nuclei. They present results of first applications using the Argonne V8' nucleon-nucleon (NN) potential and the Tucson-Melbourne TM'(99) three-nucleon interaction (TNI). In addition to increase of binding energy, they observe a trend toward level-ordering and level-spacing improvement in comparison to experiment. With the TNI they obtain a correct ground-state spin for {sup 10}B contrary to calculations with NN potentials only. They also investigate neutrino-{sup 12}C exclusive cross sections and muon capture on {sup 12}C. They show that realistic nucleon-nucleon interactions underpredict the experimental cross sections by a factor of two or more. By including the TNI a much better agreement with experiment is achieved along with an encouraging trend.

  17. Fabricating Thin-Shell Heat-Transfer Models

    NASA Technical Reports Server (NTRS)

    Avery, D. E.; Ballard, G. K.; Wilson, M. L.; Allen, J. H., Sr.

    1985-01-01

    Freestanding shells produced for experimental aerodynamic-heating tests. Heat transfer shells require several steps and several precise molds. First, interlocking aluminum male and female molds fabricated. Holes for thermocouples drilled through male mold at desired locations. Wires having same diameter as thermocouple wire placed through holes in male mold flush to female mold. Epoxy exposed to vacuum to remove air bubbles poured between male and female molds to form thin female mold. Once mold cured, wires removed and aluminum molds separated.

  18. Nucleon-pair approximation to the nuclear shell model

    NASA Astrophysics Data System (ADS)

    Zhao, Y. M.; Arima, A.

    2014-12-01

    Atomic nuclei are complex systems of nucleons-protons and neutrons. Nucleons interact with each other via an attractive and short-range force. This feature of the interaction leads to a pattern of dominantly monopole and quadrupole correlations between like particles (i.e., proton-proton and neutron-neutron correlations) in low-lying states of atomic nuclei. As a consequence, among dozens or even hundreds of possible types of nucleon pairs, very few nucleon pairs such as proton and neutron pairs with spin zero, two (in some cases spin four), and occasionally isoscalar spin-aligned proton-neutron pairs, play important roles in low-energy nuclear structure. The nucleon-pair approximation therefore provides us with an efficient truncation scheme of the full shell model configurations which are otherwise too large to handle for medium and heavy nuclei in foreseeable future. Furthermore, the nucleon-pair approximation leads to simple pictures in physics, as the dimension of nucleon-pair subspace is always small. The present paper aims at a sound review of its history, formulation, validity, applications, as well as its link to previous approaches, with the focus on the new developments in the last two decades. The applicability of the nucleon-pair approximation and numerical calculations of low-lying states for realistic atomic nuclei are demonstrated with examples. Applications of pair approximations to other problems are also discussed.

  19. Remembrances of Maria Goeppert Mayer and the Nuclear Shell Model.

    NASA Astrophysics Data System (ADS)

    Baranger, Elizabeth

    2013-04-01

    Maria Goeppert Mayer received the Nobel Prize in Physics in 1963 for her work on the nuclear shell model. I knew her in my teens as a close ``friend of the family.'' The Mayers lived a few blocks away in Leonia, New Jersey from 1939 to 1945, across the street in Chicago from 1945 to 1958 and about one mile away in La Jolla, CA from 1960 till her death. Maria held primarily ``vol'' (voluntary) positions during this period, although in Chicago she was half time at Argonne National Laboratory as a Senior Physicist. She joined the University of California at San Diego as a professor in 1960, her first full-time academic position. I will discuss her positive impact on a teenager seriously considering becoming a physicist. I will also discuss briefly the impact of her work on our understanding of the structure of nuclei. Maria Mayer was creative, well educated, with a supportive father and husband, but she was foreign , received her Ph D at the time of the Great Depression, and was one of the few women trained in physics. Her unusual career and her great success is due to her love of physics and her ability as a theoretical physicist.

  20. Dynamos at extreme magnetic Prandtl numbers: insights from shell models

    NASA Astrophysics Data System (ADS)

    Verma, Mahendra K.; Kumar, Rohit

    2016-12-01

    We present an MHD shell model suitable for computation of various energy fluxes of magnetohydrodynamic turbulence for very small and very large magnetic Prandtl numbers $\\mathrm{Pm}$; such computations are inaccessible to direct numerical simulations. For small $\\mathrm{Pm}$, we observe that both kinetic and magnetic energy spectra scale as $k^{-5/3}$ in the inertial range, but the dissipative magnetic energy scales as $k^{-11/3}\\exp(-k/k_\\eta)$. Here, the kinetic energy at large length scale feeds the large-scale magnetic field that cascades to small-scale magnetic field, which gets dissipated by Joule heating. The large-$\\mathrm{Pm}$ dynamo has a similar behaviour except that the dissipative kinetic energy scales as $k^{-13/3}$. For this case, the large-scale velocity field transfers energy to the large-scale magnetic field, which gets transferred to small-scale velocity and magnetic fields; the energy of the small-scale magnetic field also gets transferred to the small-scale velocity field, and the energy thus accumulated is dissipated by the viscous force.

  1. Shell-model study of the lattice dynamics of hydroxyapatite

    SciTech Connect

    Calderin, L.; Dunfield, D.; Stott, M.J.

    2005-12-01

    A shell model has been developed and used in a study of the lattice dynamics of hydroxyapatite. The results give insight into the modes of vibration of the lattice, but in addition, the dynamics has been used to obtain quantities involved in x-ray and neutron diffraction patterns and in infrared spectra to help in the interpretation of experimerimental data. Phonons throughout the Brillouin zone were obtained and used to calculate atomic thermal factors entering the x-ray and neutron scattering intensity. The calculated values were in very good agreement with experiment. The phonon modes were also obtained for the {gamma}-point taking into account the long range Coulomb correction to the dynamical matrix. They were used to calculate the infrared reflectivity for single crystals of hydroxyapatite through the dielectric function and using the dipole approximation, and the powder spectrum was also obtained using the dipole method. Although the positions of peaks in the measured intensities were in good agreement with the frequencies of features in the calculated phonon density of states, the calculated intensities were in poorer agreement with experiment.

  2. Parameterized Finite Element Modeling and Buckling Analysis of Six Typical Composite Grid Cylindrical Shells

    NASA Astrophysics Data System (ADS)

    Lai, Changliang; Wang, Junbiao; Liu, Chuang

    2014-10-01

    Six typical composite grid cylindrical shells are constructed by superimposing three basic types of ribs. Then buckling behavior and structural efficiency of these shells are analyzed under axial compression, pure bending, torsion and transverse bending by finite element (FE) models. The FE models are created by a parametrical FE modeling approach that defines FE models with original natural twisted geometry and orients cross-sections of beam elements exactly. And the approach is parameterized and coded by Patran Command Language (PCL). The demonstrations of FE modeling indicate the program enables efficient generation of FE models and facilitates parametric studies and design of grid shells. Using the program, the effects of helical angles on the buckling behavior of six typical grid cylindrical shells are determined. The results of these studies indicate that the triangle grid and rotated triangle grid cylindrical shell are more efficient than others under axial compression and pure bending, whereas under torsion and transverse bending, the hexagon grid cylindrical shell is most efficient. Additionally, buckling mode shapes are compared and provide an understanding of composite grid cylindrical shells that is useful in preliminary design of such structures.

  3. Structural synergy in a core-shell spin crossover nanoparticle investigated by an electroelastic model

    NASA Astrophysics Data System (ADS)

    Slimani, Ahmed; Khemakhem, Hamadi; Boukheddaden, Kamel

    2017-05-01

    Understanding how surrounding environments act on the functional properties of switchable nano-objects across extended and multiple length scales is of growing interest in many areas of material science. Here, we examine in details, using a microscopic model, the interplay between the structural properties of an inert shell and a spin-active spin-crossover (SCO) core, composed of atoms which can switch thermally between the low-spin (LS) and high-spin (HS) states, a transition which is accompanied with a volume expansion. To come closer to realistic experimental data, we considered a shell having the lattice parameter of the HS state. Intensive Monte Carlo simulations, running on the spin states and atomic positions, are performed on the core-shell spin-crossover nanoparticle using an electroelastic model based on a compressible 2D lattice. A detailed analysis of the effect of the shell's size and rigidity on the magnetostructural properties of the core allows us to address the following issues: (i) the heteroelastic properties of the lattice induce a spatially inhomogeneous pressure (negative in the shell and positive in the core) which strongly distorts the lattice when the core is in the LS state, creating a visible spatial deflection of the shell/core interface; (ii) the thermally-induced first-order SCO transition of the core is significantly affected by the increase of the shell size, which lowers the transition temperature and reduces the thermal hysteresis width; (iii) the shell's rigidity dependence of the thermal hysteresis of the nanoparticle exhibited a resonance behavior when the shell's rigidity equals that of the core, a feature that is analyzed on the basis of acoustic impedance mismatch between the core and the shell. All these outcomes reflect the crucial influence of the surrounding environment on the structural properties of the nanoparticle and provide potentialities in the control of the bistability and cooperativity of the SCO nanoparticles

  4. Mixed models and reduced/selective integration displacement models for nonlinear shell analysis

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Andersen, C. M.

    1981-01-01

    One of the objectives of the present investigation is to identify classes of equivalent mixed models and reduced/selective integration displacement models for curved shell structures. A second objective is concerned with the identification of the spurious modes exhibited by various mixed models and their equivalent reduced integration displacement models. The merits of using mixed models are also evaluated. The mixed elements developed in the current investigation differ from those presented by Noor and Hartley (1977) by the fact that the stress resultants are discontinuous at interelement boundaries and, therefore, are eliminated on the element level. The high accuracy and effectiveness of the elements developed is demonstrated by means of numerical examples, taking into account three geometrically nonlinear problems of shallow shells.

  5. Ab initio approach to the development of interatomic potentials for the shell model of silica polymorphs

    NASA Astrophysics Data System (ADS)

    de Boer, K.; Jansen, A. P. J.; van Santen, R. A.

    1994-06-01

    We have developed a new method for deriving parameters for the shell model of silica polymorphs. All parameters for the shell model are derived in a self-consistent way from ab initio energy surfaces, polarizabilities and dipole moments of small clusters. This yields an ab initio partial charge shell model potential. The predictive power of our potential is demonstrated by presenting predictions for the structure of α-quartz, α-cristobalite, coesite, stishovite and the IR spectrum of α-quartz which are compared with experiment and predictions of the widely used potentials of Jackson and Catlow, and Kramer, Farragher, van Beest and van Santen.

  6. Drift shells and aurora computed using the O8 magnetic field model for Neptune

    NASA Technical Reports Server (NTRS)

    Paranicas, C.; Cheng, A. F.

    1994-01-01

    Charged particle drift shells are calculated using the O8 magnetic field model for Neptune. Inner drift shell morphologies differ significantly from dipolar drift shells for the parts of drift shells inward of r = 2 R(sub N). Outer drift shells (L approx. greater than 10), when traced down to Neptune's surface following magnetic field lines, are simple closed loops around magnetic poles. Inner drift shells (L approx. less than 4), on the other hand, when traced to the surface, are also single loops but stretched in a previously unknown way: sometimes with a cusp and sometimes into two joined loops. Inner drift shell footprints on R = 1 provide the basis for identifying precipitation L shells, interpreting observed aurora, and predicting additional emissions on that part of Neptune's surface unobserved by the Ultraviolet Spectrometer (UVS). Precipitation in a global magnetic anomaly, `ordinary' auroral precipitation near the south magnetic pole, and precipitation from field lines with no magnetic field minimum above Neptune's exobase collectively appear to account for all of the observed auroral emission regions at Neptune. To the extent that aurora can be understood in this model, it is suggested O8 may be reasonably accurate.

  7. Neutrinoless double beta nuclear matrix elements around mass 80 in the nuclear shell-model

    NASA Astrophysics Data System (ADS)

    Yoshinaga, N.; Higashiyama, K.; Taguchi, D.; Teruya, E.

    2015-05-01

    The observation of the neutrinoless double-beta decay can determine whether the neutrino is a Majorana particle or not. For theoretical nuclear physics it is particularly important to estimate three types of matrix elements, namely Fermi (F), Gamow-Teller (GT), and tensor (T) matrix elements. In this paper, we carry out shell-model calculations and also pair-truncated shell-model calculations to check the model dependence in the case of mass A=82 nuclei.

  8. Experimental analysis and numerical modeling of mollusk shells as a three dimensional integrated volume.

    PubMed

    Faghih Shojaei, M; Mohammadi, V; Rajabi, H; Darvizeh, A

    2012-12-01

    In this paper, a new numerical technique is presented to accurately model the geometrical and mechanical features of mollusk shells as a three dimensional (3D) integrated volume. For this purpose, the Newton method is used to solve the nonlinear equations of shell surfaces. The points of intersection on the shell surface are identified and the extra interior parts are removed. Meshing process is accomplished with respect to the coordinate of each point of intersection. The final 3D generated mesh models perfectly describe the spatial configuration of the mollusk shells. Moreover, the computational model perfectly matches with the actual interior geometry of the shells as well as their exterior architecture. The direct generation technique is employed to generate a 3D finite element (FE) model in ANSYS 11. X-ray images are taken to show the close similarity of the interior geometry of the models and the actual samples. A scanning electron microscope (SEM) is used to provide information on the microstructure of the shells. In addition, a set of compression tests were performed on gastropod shell specimens to obtain their ultimate compressive strength. A close agreement between experimental data and the relevant numerical results is demonstrated.

  9. Steady state model for the thermal regimes of shells of airships and hot air balloons

    NASA Astrophysics Data System (ADS)

    Luchev, Oleg A.

    1992-10-01

    A steady state model of the temperature regime of airships and hot air balloons shells is developed. The model includes three governing equations: the equation of the temperature field of airships or balloons shell, the integral equation for the radiative fluxes on the internal surface of the shell, and the integral equation for the natural convective heat exchange between the shell and the internal gas. In the model the following radiative fluxes on the shell external surface are considered: the direct and the earth reflected solar radiation, the diffuse solar radiation, the infrared radiation of the earth surface and that of the atmosphere. For the calculations of the infrared external radiation the model of the plane layer of the atmosphere is used. The convective heat transfer on the external surface of the shell is considered for the cases of the forced and the natural convection. To solve the mentioned set of the equations the numerical iterative procedure is developed. The model and the numerical procedure are used for the simulation study of the temperature fields of an airship shell under the forced and the natural convective heat transfer.

  10. Resource Letter NSM-1: New insights into the nuclear shell model

    SciTech Connect

    Dean, David Jarvis; Hamilton, J. H.

    2011-01-01

    This Resource Letter provides a guide to the literature on the spherical shell model as applied to nuclei. The nuclear shell model describes the structure of nuclei starting with a nuclear core developed by the classical neutron and proton magic numbers N,Z=2,8,20,28,50,82, 126, where gaps occur in the single-particle energies as a shell is filled, and the interactions of valence nucleons that reside beyond that core. Various modern extensions of this model for spherical nuclei are likewise described. Significant extensions of the nuclear shell model include new magic numbers for spherical nuclei and now for deformed nuclei as well. When both protons and neutrons have shell gaps at the same spherical or deformed shapes, they can reinforce each other to give added stability to that shape and lead to new magic numbers. The vanishings of the classical spherical shell model energy gaps and magic numbers in new neutron-rich nuclei are described. Spherical and deformed shell gaps are seen to be critical for the existence of elements with Z > 100.

  11. Shell tectonics: A mechanical model for strike-slip displacement on Europa

    NASA Astrophysics Data System (ADS)

    Rhoden, A.; Wurman, G.; Manga, M.; Hurford, T. A.

    2010-12-01

    We introduce a new model for producing strike-slip displacement on Europa, which we call shell tectonics. We invoke general principles of stress and failure along faults and include the influence of Europa’s elastic shell when determining the response of faults to periodic tidal stress. We apply a Coulomb failure criterion to determine when and if failure will occur and adopt a linear elastic model for slip and stress release to determine the direction of net offsets along pre-existing faults. Our model reproduces the global-scale strike-slip fault pattern observed on Europa in which left-lateral faults dominate far north of the equator, right-lateral faults do so in the far south, and near-equatorial regions display a mixture of both types of faults. One of the most compelling attributes of the tidal walking model for strike-slip formation on Europa (Hoppa et al., 1999) is its ability to generate this global pattern. The shell tectonics model includes a more physical treatment of fault mechanics than tidal walking and makes a prediction of slip direction along faults by computing the net slip over several orbits. Also, several assumptions made in the tidal walking model are incorporated explicitly in the shell tectonics model. A strike-slip formation model with application to Enceladus has also been proposed (Smith-Konter & Pappalardo, 2008) that includes a mechanical treatment of faults but does not incorporate the effects of the elastic shell. Since this model should be equally applicable to Europa, we present predictions made using this plate-tectonics model along with our shell tectonics predictions. We find that a model neglecting the elastic shell effects does not agree as well with the observations. In addition to global predictions of slip direction, shell tectonics provides an estimate of the relative growth rates of faults and implications for seismicity and heating along faults.

  12. Mesoscale modeling of functional properties in core-shell nanoparticles

    NASA Astrophysics Data System (ADS)

    Mangeri, John; Heinonen, Olle; Karpeev, Dmitry; Nakhmanson, Serge

    2015-03-01

    Core-shell nanoparticle systems of Zn-ZnO and ZnO-TiO2 are studied computationally using the highly scalable MOOSE finite-element framework, developed at Idaho National Lab. The elastic anisotropic mismatch of the core and shell create an imprinting effect within the shell that produces a wide variation of strains. Due to this diversity of strains, the sharp band gap edges of the bulk semiconductor are observed to be ``thinned-out'' much like amorphous silicon. We show that a variety of factors, such as particle size, core-to-shell volume ratio, applied hydrostatic pressure, shell microstructure, as well as the effect of surface elasticity, can influence the distribution of optical band-gap values within the particle, which may prove useful within the field of photovoltaics. Part of the work by O.H. was supported by Award 70NANB14H012 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Material Design.

  13. Large-Scale Shell-Model Analysis of the Neutrinoless β β Decay of 48Ca

    NASA Astrophysics Data System (ADS)

    Iwata, Y.; Shimizu, N.; Otsuka, T.; Utsuno, Y.; Menéndez, J.; Honma, M.; Abe, T.

    2016-03-01

    We present the nuclear matrix element for the neutrinoless double-beta decay of 48Ca based on large-scale shell-model calculations including two harmonic oscillator shells (s d and p f shells). The excitation spectra of 48Ca and 48Ti, and the two-neutrino double-beta decay of 48Ca are reproduced in good agreement to the experimental data. We find that the neutrinoless double-beta decay nuclear matrix element is enhanced by about 30% compared to p f -shell calculations. This reduces the decay lifetime by almost a factor of 2. The matrix-element increase is mostly due to pairing correlations associated with cross-shell s d -p f excitations. We also investigate possible implications for heavier neutrinoless double-beta decay candidates.

  14. Eversion of bistable shells under magnetic actuation: a model of nonlinear shapes

    NASA Astrophysics Data System (ADS)

    Seffen, Keith A.; Vidoli, Stefano

    2016-06-01

    We model in closed form a proven bistable shell made from a magnetic rubber composite material. In particular, we incorporate a non-axisymmetrical displacement field, and we capture the nonlinear coupling between the actuated shape and the magnetic flux distribution around the shell. We are able to verify the bistable nature of the shell and we explore its eversion during magnetic actuation. We show that axisymmetrical eversion is natural for a perfect shell but that non-axisymmetrical eversion rapidly emerges under very small initial imperfections, as observed in experiments and in a computational analysis. We confirm the non-uniform shapes of shell and we study the stability of eversion by considering how the landscape of total potential and magnetic energies of the system changes during actuation.

  15. An immersed-shell method for modelling fluid–structure interactions

    PubMed Central

    Viré, A.; Xiang, J.; Pain, C. C.

    2015-01-01

    The paper presents a novel method for numerically modelling fluid–structure interactions. The method consists of solving the fluid-dynamics equations on an extended domain, where the computational mesh covers both fluid and solid structures. The fluid and solid velocities are relaxed to one another through a penalty force. The latter acts on a thin shell surrounding the solid structures. Additionally, the shell is represented on the extended domain by a non-zero shell-concentration field, which is obtained by conservatively mapping the shell mesh onto the extended mesh. The paper outlines the theory underpinning this novel method, referred to as the immersed-shell approach. It also shows how the coupling between a fluid- and a structural-dynamics solver is achieved. At this stage, results are shown for cases of fundamental interest. PMID:25583857

  16. From Kuo-Brown to today's realistic shell-model calculations

    NASA Astrophysics Data System (ADS)

    Coraggio, L.; Covello, A.; Gargano, A.; Itaco, N.

    2014-08-01

    This paper is an homage to the seminal work of Gerry Brown and Tom Kuo, where shell model calculations were performed for 18O and 18F using an effective interaction derived from the Hamada-Johnston nucleon-nucleon potential. That work has been the first successful attempt to provide a description of nuclear structure properties starting from the free nucleon-nucleon potential. We shall compare the approach employed in the 1966 paper with the derivation of a modern realistic shell-model interaction for sd-shell nuclei, evidencing the progress that has been achieved during the last decades.

  17. Collectivity in the light xenon isotopes: A shell model study

    SciTech Connect

    Caurier, E.; Nowacki, F.; Sieja, K.; Poves, A.

    2010-12-15

    The lightest xenon isotopes are studied in the shell model framework, within a valence space that comprises all the orbits lying between the magic closures N=Z=50 and N=Z=82. The calculations produce collective deformed structures of triaxial nature that encompass nicely the known experimental data. Predictions are made for the (still unknown) N=Z nucleus {sup 108}Xe. The results are interpreted in terms of the competition between the quadrupole correlations enhanced by the pseudo-SU(3) structure of the positive parity orbits and the pairing correlations brought in by the 0h{sub 11/2} orbit. We also have studied the effect of the excitations from the {sup 100}Sn core on our predictions. We show that the backbending in this region is due to the alignment of two particles in the 0h{sub 11/2} orbit. In the N=Z case, one neutron and one proton align to J=11 and T=0. In {sup 110,112}Xe the alignment begins in the J=10, T=1 channel and it is dominantly of neutron-neutron type. Approaching the band termination the alignment of a neutron-proton pair to J=11 and T=0 takes over. In a more academic mood, we have studied the role of the isovector and isoscalar pairing correlations on the structure on the yrast bands of {sup 108,110}Xe and examined the possible existence of isovector and isoscalar pairing condensates in these N{approx}{approx}Z nuclei.

  18. Array Processing and Forward Modeling Methods for the Analysis of Stiffened, Fluid-Loaded Cylindrical Shells.

    NASA Astrophysics Data System (ADS)

    Bondaryk, Joseph E.

    This thesis investigates array processing and forward modeling methods for the analysis of experimental, structural acoustic data to understand wave propagation on fluid-loaded, elastic, cylindrical shells in the mid -frequency range, 2 < ka < 12. The transient, acoustic, in-plane, bistatic scattering response to wideband, plane waves at various angles of incidence was collected by a synthetic array for three shells, a finite, air-filled, empty thin shell, a duplicate shell stiffened with four unequally spaced ring-stiffeners and a duplicate ribbed shell augmented by resiliently-mounted, wave-bearing, internal structural elements. Array and signal processing techniques, including source deconvolution, array weighting, conventional focusing and the removal of the geometrically scattered contribution, are used to transform the collected data to a more easily interpreted representation. The resulting waveforms show that part of the transient, dynamic, structural response of the shell surface which is capable of radiating to the far field. Compressional membrane waves are directly observable in this representation and evidence of flexural membrane waves is present. Comparisons between the shells show energy compartmentalized by the ring stiffeners and coupled into the wave-bearing internals. Energy calculations show a decay rate of 30dB/msec due to radiation for the Empty shell but only 10dB/msec for the other shells at bow incidence. The Radon Transform is used to estimate the reflection coefficient of compressional waves at the shell endcap as 0.2. The measurement array does not provide enough resolution to allow use of this technique to determine the reflection, transmission and coupling coefficients at the ring stiffeners. Therefore, a forward modeling technique is used to further analyze the 0^ circ incidence case. This modeling couples a Transmission Line model of the shell with a Simulated Annealing approach to multi-dimensional, parameter estimation. This

  19. Three-dimensional turbulent relative dispersion by the Gledzer-Ohkitani-Yamada shell model

    NASA Astrophysics Data System (ADS)

    Chakraborty, Sagar; Jensen, Mogens H.; Madsen, Bo S.

    2010-01-01

    We study pair dispersion in a three-dimensional incompressible high Reynolds number turbulent flow generated by Fourier transforming the dynamics of the Gledzer-Ohkitani-Yamada (GOY) shell model into real space. We show that GOY shell model can successfully reproduce both the Batchelor and the Richardson-Obukhov regimes of turbulent relative dispersion. We also study how the crossover time scales with the initial separations of a particle pair and compare it to the prediction by Batchelor.

  20. Shell-model representations of the proton-neutron symplectic model

    NASA Astrophysics Data System (ADS)

    Ganev, H. G.

    2015-07-01

    The representation theory of the recently introduced proton-neutron symplectic model in the many-particle Hilbert space is considered. The relation of the Sp(12, R) irreducible representations (irreps) with the shell-model classification of the basis states is considered by extending of the state space to the direct product space of SU p (3) ⊗ SU n (3) irreps, generalizing in this way the Elliott's SU(3) model for the case of two-component system. The Sp(12, R) model appears then as a natural multi-major-shell extension of the generalized proton-neutron SU(3) scheme, which takes into account the core collective excitations of monopole and quadrupole, as well as dipole type associated with the giant resonance vibrational degrees of freedom. Each Sp(12, R) irreducible representation is determined by a symplectic bandhead or an intrinsic U(6) space which can be fixed by the underlying proton-neutron shell-model structure, so the theory becomes completely compatible with the Pauli principle. It is shown that this intrinsic U(6) structure is of vital importance for the appearance of the low-lying collective bands without involving a mixing of different symplectic irreps. The full range of low-lying collective states can then be described by the microscopically based intrinsic U(6) structure, renormalized by coupling to the giant resonance vibrations.

  1. Comparison of three-shell and simplified volume conductor models in magnetoencephalography.

    PubMed

    Stenroos, Matti; Hunold, Alexander; Haueisen, Jens

    2014-07-01

    Experimental MEG source imaging studies have typically been carried out with either a spherically symmetric head model or a single-shell boundary-element (BEM) model that is shaped according to the inner skull surface. The concepts and comparisons behind these simplified models have led to misunderstandings regarding the role of skull and scalp in MEG. In this work, we assess the forward-model errors due to different skull/scalp approximations and due to differences and errors in model geometries. We built five anatomical models of a volunteer using a set of T1-weighted MR scans and three common toolboxes. Three of the models represented typical models in experimental MEG, one was manually constructed, and one contained a major segmentation error at the skull base. For these anatomical models, we built forward models using four simplified approaches and a three-shell BEM approach that has been used as reference in previous studies. Our reference model contained in addition the skull fine-structure (spongy bone). We computed signal topographies for cortically constrained sources in the left hemisphere and compared the topographies using relative error and correlation metrics. The results show that the spongy bone has a minimal effect on MEG topographies, and thus the skull approximation of the three-shell model is justified. The three-shell model performed best, followed by the corrected-sphere and single-shell models, whereas the local-spheres and single-sphere models were clearly worse. The three-shell model was the most robust against the introduced segmentation error. In contrast to earlier claims, there was no noteworthy difference in the computation times between the realistically-shaped and sphere-based models, and the manual effort of building a three-shell model and a simplified model is comparable. We thus recommend the realistically-shaped three-shell model for experimental MEG work. In cases where this is not possible, we recommend a realistically

  2. Simulation of human plasma concentration-time profiles of the partial glucokinase activator PF-04937319 and its disproportionate N-demethylated metabolite using humanized chimeric mice and semi-physiological pharmacokinetic modeling.

    PubMed

    Kamimura, Hidetaka; Ito, Satoshi; Chijiwa, Hiroyuki; Okuzono, Takeshi; Ishiguro, Tomohiro; Yamamoto, Yosuke; Nishinoaki, Sho; Ninomiya, Shin-Ichi; Mitsui, Marina; Kalgutkar, Amit S; Yamazaki, Hiroshi; Suemizu, Hiroshi

    2016-07-07

    1. The partial glucokinase activator N,N-dimethyl-5-((2-methyl-6-((5-methylpyrazin-2-yl)carbamoyl)benzofuran-4-yl)oxy)pyrimidine-2-carboxamide (PF-04937319) is biotransformed in humans to N-methyl-5-((2-methyl-6-((5-methylpyrazin-2-yl)carbamoyl)benzofuran-4-yl)oxy)pyrimidine-2-carboxamide (M1), accounting for ∼65% of total exposure at steady state. 2. As the disproportionately abundant nature of M1 could not be reliably predicted from in vitro metabolism studies, we evaluated a chimeric mouse model with humanized liver on TK-NOG background for its ability to retrospectively predict human disposition of PF-04937319. Since livers of chimeric mice were enlarged by hyperplasia and contained remnant mouse hepatocytes, hepatic intrinsic clearances normalized for liver weight, metabolite formation and liver to plasma concentration ratios were plotted against the replacement index by human hepatocytes and extrapolated to those in the virtual chimeric mouse with 100% humanized liver. 3. Semi-physiological pharmacokinetic analyses using the above parameters revealed that simulated concentration curves of PF-04937319 and M1 were approximately superimposed with the observed clinical data in humans. 4. Finally, qualitative profiling of circulating metabolites in humanized chimeric mice dosed with PF-04937319 or M1 also revealed the presence of a carbinolamide metabolite, identified in the clinical study as a human-specific metabolite. The case study demonstrates that humanized chimeric mice may be potentially useful in preclinical discovery towards studying disproportionate or human-specific metabolism of drug candidates.

  3. A Shell/3D Modeling Technique for the Analysis of Delaminated Composite Laminates

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; OBrien, T. Kevin

    2000-01-01

    A shell/3D modeling technique was developed for which a local solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a shell finite element model. Multi-point constraints provided a kinematically compatible interface between the local 3D model and the global structural model which has been meshed with shell finite elements. Double Cantilever Beam, End Notched Flexure, and Single Leg Bending specimens were analyzed first using full 3D finite element models to obtain reference solutions. Mixed mode strain energy release rate distributions were computed using the virtual crack closure technique. The analyses were repeated using the shell/3D technique to study the feasibility for pure mode I, mode II and mixed mode I/II cases. Specimens with a unidirectional layup and with a multidirectional layup were simulated. For a local 3D model, extending to a minimum of about three specimen thicknesses on either side of the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures the shell/3D modeling technique offers a great potential for reducing the model size, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

  4. A geometrical model for the description of the AlN shell morphology in GaN-AlN core-shell nanowires

    NASA Astrophysics Data System (ADS)

    Hestroffer, Karine; Daudin, Bruno

    2013-12-01

    A geometrical model based on the one formulated by Foxon et al. [J. Cryst. Growth 311, 3423 (2009)] is developed to describe the morphology of AlN shells in GaN-AlN core-shell nanowires grown by plasma-assisted molecular beam epitaxy. The shell aspect ratio is studied as a function of the atomic beam flux incidence angles and of the ratio between Al and N species. The comparison between experimental data and the developed geometrical model suggests the diffusion of about 55% of Al atoms from the side walls to the top surface.

  5. 16 PF Research Bibliography: 1971-1976.

    ERIC Educational Resources Information Center

    Hussong, Mary Ann, Comp.; And Others

    This bibliography contains a comprehensive listing of research studies and dissertations related to the Sixteen Personality Factor (16 PF). It is the third part in the series of reference works begun by the 16 PF Handbook (1970) and supplemented by the 16 PF Manual (1972). The collection spans primarily the years 1971-1976. Several references to…

  6. 16 PF Research Bibliography: 1971-1976.

    ERIC Educational Resources Information Center

    Hussong, Mary Ann, Comp.; And Others

    This bibliography contains a comprehensive listing of research studies and dissertations related to the Sixteen Personality Factor (16 PF). It is the third part in the series of reference works begun by the 16 PF Handbook (1970) and supplemented by the 16 PF Manual (1972). The collection spans primarily the years 1971-1976. Several references to…

  7. An automated shell for management of parametric dispersion/deposition modeling

    SciTech Connect

    Paddock, R.A.; Absil, M.J.G.; Peerenboom, J.P.; Newsom, D.E.; North, M.J.; Coskey, R.J. Jr.

    1994-03-01

    In 1993, the US Army tasked Argonne National Laboratory to perform a study of chemical agent dispersion and deposition for the Chemical Stockpile Emergency Preparedness Program using an existing Army computer model. The study explored a wide range of situations in terms of six parameters: agent type, quantity released, liquid droplet size, release height, wind speed, and atmospheric stability. A number of discrete values of interest were chosen for each parameter resulting in a total of 18,144 possible different combinations of parameter values. Therefore, the need arose for a systematic method to assemble the large number of input streams for the model, filter out unrealistic combinations of parameter values, run the model, and extract the results of interest from the extensive model output. To meet these needs, we designed an automated shell for the computer model. The shell processed the inputs, ran the model, and reported the results of interest. By doing so, the shell compressed the time needed to perform the study and freed the researchers to focus on the evaluation and interpretation of the model predictions. The results of the study are still under review by the Army and other agencies; therefore, it would be premature to discuss the results in this paper. However, the design of the shell could be applied to other hazards for which multiple-parameter modeling is performed. This paper describes the design and operation of the shell as an example for other hazards and models.

  8. The shell model for the exchange-correlation hole in the strong-correlation limit.

    PubMed

    Bahmann, Hilke; Zhou, Yongxi; Ernzerhof, Matthias

    2016-09-28

    We present a model for the exchange-correlation hole and the exchange-correlation energy in the strong-correlation (SC) limit of density functional theory. The SC limit is useful in the construction of exchange-correlation functionals through interpolation of the adiabatic connection. The new approximation (referred to as shell model) is an improvement of the non-local radius (NLR) model recently proposed by Wagner and Gori-Giorgi [Phys. Rev. A 90, 052512 (2014)]. The NLR model does not correctly reproduce the limit of the strongly correlated homogeneous electron gas and this shortcoming is remedied by the shell model. As in the case of the NLR model, the spherically averaged electron density ρ(r,u)=∫dΩu4πρ(r+u) is the starting point for the construction of the shell model and it is also its computational bottleneck. We show how ρ(r, u), the NLR, and the shell model can be implemented efficiently. For this purpose, analytical integrals for the normalization and the energy density of the underlying holes are provided. Employing the shell model, we illustrate how improved adiabatic connection interpolations can be constructed.

  9. An explicit model of expanding cylindrical shells subjected to high explosive detonations

    SciTech Connect

    Martineau, R.L.; Prime, M.B.; Anderson, C.A.; Smith, F.W.

    1999-04-01

    A viscoplastic constitutive model was formulated to model the high strain-rate expansion of thin cylindrical shells subjected to internal explosive detonations. This model provides insight into the development of plastic instabilities, which occur on the surface of the shells prior to failure. The effects of shock heating and damage in the form of microvoid nucleation, growth, and coalescence were incorporated using the Johnson-Cook strength model with the Mie-Grueneisen equation of state and a modified Gurson yield surface. This model was implemented into ABAQUS/Explicit as a user material subroutine. A cylindrical copper shell was modeled using both axisymmetric and plane strain elements. The high explosive material inside of the cylinder was simulated using the high explosive burn model in ABAQUS/Explicit. Two experiments were conducted involving explosive-filled, copper cylinders and good agreement was obtained between the numerical results and experimental data.

  10. On the Modeling of Shells in Multibody Dynamics

    NASA Technical Reports Server (NTRS)

    Bauchau, Olivier A.; Choi, Jou-Young; Bottasso, Carlo L.

    2000-01-01

    Energy preserving/decaying schemes are presented for the simulation of the nonlinear multibody systems involving shell components. The proposed schemes are designed to meet four specific requirements: unconditional nonlinear stability of the scheme, a rigorous treatment of both geometric and material nonlinearities, exact satisfaction of the constraints, and the presence of high frequency numerical dissipation. The kinematic nonlinearities associated with arbitrarily large displacements and rotations of shells are treated in a rigorous manner, and the material nonlinearities can be handled when the, constitutive laws stem from the existence of a strain energy density function. The efficiency and robustness of the proposed approach is illustrated with specific numerical examples that also demonstrate the need for integration schemes possessing high frequency numerical dissipation.

  11. No-core shell-model calculations in light nuclei with three-nucleon forces

    NASA Astrophysics Data System (ADS)

    Barrett, B. R.; Navrátil, P.; Nogga, A.; Ormand, W. E.; Vary, J. P.

    2004-12-01

    The ab initio No-Core Shell Model (NCSM) has recently been expanded to include nucleon-nucleon (NN) and three-nucleon (3N) interactions at the three-body cluster level. Here it is used to predict binding energies and spectra of p-shell nuclei based on realistic NN and 3N interactions. First results show that NN plus 3N interactions based on chiral perturbation theory lead to a realistic description of 6Li.

  12. All (4,0): Sigma models with (4,0) off-shell supersymmetry

    NASA Astrophysics Data System (ADS)

    Hull, Chris; Lindström, Ulf

    2017-08-01

    Off-shell (4, 0) supermultiplets in 2-dimensions are formulated. These are used to construct sigma models whose target spaces are vector bundles over manifolds that are hyperkähler with torsion. The off-shell supersymmetry implies that the complex structures are simultaneously integrable and allows us to write actions using extended superspace and projective superspace, giving an explicit construction of the target space geometries.

  13. A viscoplastic model of expanding cylindrical shells subjected to internal explosive detonations

    SciTech Connect

    Martineau, Rick L.

    1998-04-01

    Magnetic flux compression generators rely on the expansion of thin ductile shells to generate magnetic fields. These thin shells are filled with high explosives, which when detonated, cause the shell to expand to over 200% strain at strain-rates on the order of 104 s-1. Experimental data indicate the development and growth of multiple plastic instabilities which appear in a quasi-periodic pattern on the surfaces of the shells. These quasi-periodic instabilities are connected by localized zones of intense shear that are oriented approximately 45° from the outward radial direction. The quasi-periodic instabilities continue to develop and eventually become through-cracks, causing the shell to fragment. A viscoplastic constitutive model is formulated to model the high strain-rate expansion and provide insight into the development of plastic instabilities. The formulation of the viscoplastic constitutive model includes the effects of shock heating and damage in the form of microvoid nucleation, growth, and coalescence in the expanding shell. This model uses the Johnson-Cook strength model with the Mie-Grueneisen equation of state and a modified Gurson yield surface. The constitutive model includes the modifications proposed by Tvergaard and the plastic strain controlled nucleation introduced by Neeleman. The constitutive model is implemented as a user material subroutine into ABAQUS/Explicit, which is a commercially available nonlinear explicit dynamic finite element program. A cylindrical shell is modeled using both axisymmetric and plane strain elements. Two experiments were conducted involving plane wave detonated, explosively filled, copper cylinders. Instability, displacement, and velocity data were recorded using a fast framing camera and a Fabry-Perot interferometer. Good agreement is shown between the numerical results and experimental data. An additional explosively bulged cylinder experiment was also performed and a photomicrograph of an

  14. Skeletal hybridization and PfRIO-2 kinase modeling for synthesis of α-pyrone analogs as anti-malarial agent.

    PubMed

    Parveen, Afsana; Chakraborty, Arnish; Konreddy, Ananda Kumar; Chakravarty, Harapriya; Sharon, Ashoke; Trivedi, Vishal; Bal, Chandralata

    2013-01-01

    The pharmacophoric hybridization and computational design approach were applied to generate a novel series of α-pyrone analogs as plausible anti-malarial lead candidate. A putative active site in flexible loop close to wing-helix domain of PfRIO2 kinase was explored computationally to understand the molecular basis of ligand binding. All the synthesized molecules (3a-g) exhibited in vitro antimalarial activity. Oxidative stress induced by 3a-d were calculated and found to be significantly higher in case of 3b. Therefore, 3b, which shown most significant result was identified as promising lead for further SAR study to develop potent anti-malarials.

  15. Canonical acoustic thin-shell wormholes

    NASA Astrophysics Data System (ADS)

    Jusufi, Kimet; Övgün, Ali

    2017-03-01

    In this paper, we model a canonical acoustic thin-shell wormhole (CATSW) in the framework of analogue gravity systems. In this model, we apply cut and paste technique to join together two spherically symmetric, analogue canonical acoustic solutions, and compute the analogue surface density/surface pressure of the fluid using the Darmois-Israel formalism. We study the stability analyses by using a linear barotropic fluid (LBF), Chaplygin fluid (CF), logarithmic fluid (LogF), polytropic fluid (PF) and finally Van der Waals Quintessence (VDWQ). We show that a kind of analog acoustic fluid with negative energy is required at the throat to keep the wormhole stable. It is argued that CATSW can be a stabile thin-shell wormhole if we choose a suitable parameter values.

  16. A cylindrical shell model of the NASA-MPE barium ion cloud experiment.

    NASA Technical Reports Server (NTRS)

    Grauer, A. D.; Prak, J. W. L.; Jenkins, A. W., Jr.

    1973-01-01

    A computer model is developed using infinitely long concentric cylindrical shells to represent the neutral atoms, ions and electrons in the barium cloud. The neutral shells are given a distribution of positions and velocities whose parameters are chosen to be consistent with the dynamics of the release. From this distribution, the ion and electron shells are generated at random using the observed time constant for photoionization. The ion and electron shells thus formed are followed using self-consistent equations of motion. Various averages which could be compared with observation of the actual cloud are calculated at regular time intervals. An unexpected result is the predicted very early return of the magnetic field within the cloud to its ambient value.

  17. A SYSTEMATIC STUDY OF Lyα TRANSFER THROUGH OUTFLOWING SHELLS: MODEL PARAMETER ESTIMATION

    SciTech Connect

    Gronke, M.; Bull, P.; Dijkstra, M.

    2015-10-20

    Outflows promote the escape of Lyman-α (Lyα) photons from dusty interstellar media. The process of radiative transfer through interstellar outflows is often modeled by a spherically symmetric, geometrically thin shell of neutral gas that scatters photons emitted by a central Lyα source. Despite its simplified geometry, this “shell model” has been surprisingly successful at reproducing observed Lyα line shapes. In this paper, we perform automated line fitting on a set of noisy simulated shell-model spectra in order to determine whether degeneracies exist between the different shell-model parameters. While there are some significant degeneracies, we find that most parameters are accurately recovered, especially the H i column density (N{sub H} {sub i}) and outflow velocity (v{sub exp}). This work represents an important first step in determining how the shell-model parameters relate to the actual physical properties of Lyα sources. To aid further exploration of the parameter space, we have made our simulated model spectra available through an interactive online tool.

  18. Partial conservation law in a schematic single j shell model

    NASA Astrophysics Data System (ADS)

    Pereira, Wesley; Garcia, Ricardo; Zamick, Larry; Escuderos, Alberto; Neergård, Kai

    We report the discovery of a partial conservation law obeyed by a schematic Hamiltonian of two protons and two neutrons in a j shell. In our Hamiltonian, the interaction matrix element of two nucleons with combined angular momentum J is linear in J for even J and constant for odd J. It turns out that in some stationary states, the sum of the angular momenta Jp and Jn of the proton and neutron pairs is conserved. The energies of these states are given by a linear function of Jp + Jn. The systematics of their occurrence is described and explained.

  19. Nonclassical models of the theory of plates and shells

    NASA Astrophysics Data System (ADS)

    Annin, B. D.; Volchkov, Yu. M.

    2016-09-01

    Publications dealing with the study of methods of reducing a three-dimensional problem of the elasticity theory to a two-dimensional problem of the theory of plates and shells are reviewed. Two approaches are considered: the use of kinematic and force hypotheses and expansion of solutions of the three-dimensional elasticity theory in terms of the complete system of functions. Papers where a three-dimensional problem is reduced to a two-dimensional problem with the use of several approximations of each sought function (stresses and displacements) by segments of Legendre polynomials are also reviewed.

  20. Modeling of the growth of GaAs-AlGaAs core-shell nanowires.

    PubMed

    Zhang, Qian; Voorhees, Peter W; Davis, Stephen H

    2017-01-01

    Heterostructured GaAs-AlGaAs core-shell nanowires with have attracted much attention because of their significant advantages and great potential for creating high performance nanophotonics and nanoelectronics. The spontaneous formation of Al-rich stripes along certain crystallographic directions and quantum dots near the apexes of the shell are observed in AlGaAs shells. Controlling the formation of these core-shell heterostructures remains challenging. A two-dimensional model valid on the wire cross section, that accounts for capillarity in the faceted surface limit and deposition has been developed for the evolution of the shell morphology and concentration in Al x Ga1-x As alloys. The model includes a completely faceted shell-vapor interface. The objective is to understand the mechanisms of the formation of the radial heterostructures (Al-rich stripes and Al-poor quantum dots) in the nanowire shell. There are two issues that need to be understood. One is the mechanism responsible for the morphological evolution of the shells. Analysis and simulation results suggest that deposition introduces facets not present on the equilibrium Wulff shapes. A balance between diffusion and deposition yields the small facets with sizes varying slowly over time, which yield stripe structures, whereas deposition-dominated growth can lead to quantum-dot structures observed in experiments. There is no self-limiting facet size in this case. The other issue is the mechanism responsible for the segregation of Al atoms in the shells. It is found that the mobility difference of the atoms on the {112} and {110} facets together determine the non-uniform concentration of the atoms in the shell. In particular, even though the mobility of Al on {110} facets is smaller than that of Ga, Al-rich stripes are predicted to form along the {112} facets when the difference of the mobilities of Al and Ga atoms is sufficiently large on {112} facets. As the size of the shell increases, deposition becomes

  1. Ab Initio Study of 40Ca with an Importance Truncated No-Core Shell Model

    SciTech Connect

    Roth, R; Navratil, P

    2007-05-22

    We propose an importance truncation scheme for the no-core shell model, which enables converged calculations for nuclei well beyond the p-shell. It is based on an a priori measure for the importance of individual basis states constructed by means of many-body perturbation theory. Only the physically relevant states of the no-core model space are considered, which leads to a dramatic reduction of the basis dimension. We analyze the validity and efficiency of this truncation scheme using different realistic nucleon-nucleon interactions and compare to conventional no-core shell model calculations for {sup 4}He and {sup 16}O. Then, we present the first converged calculations for the ground state of {sup 40}Ca within no-core model spaces including up to 16{h_bar}{Omega}-excitations using realistic low-momentum interactions. The scheme is universal and can be easily applied to other quantum many-body problems.

  2. Large-scale shell-model calculations on the spectroscopy of N <126 Pb isotopes

    NASA Astrophysics Data System (ADS)

    Qi, Chong; Jia, L. Y.; Fu, G. J.

    2016-07-01

    Large-scale shell-model calculations are carried out in the model space including neutron-hole orbitals 2 p1 /2 ,1 f5 /2 ,2 p3 /2 ,0 i13 /2 ,1 f7 /2 , and 0 h9 /2 to study the structure and electromagnetic properties of neutron-deficient Pb isotopes. An optimized effective interaction is used. Good agreement between full shell-model calculations and experimental data is obtained for the spherical states in isotopes Pb-206194. The lighter isotopes are calculated with an importance-truncation approach constructed based on the monopole Hamiltonian. The full shell-model results also agree well with our generalized seniority and nucleon-pair-approximation truncation calculations. The deviations between theory and experiment concerning the excitation energies and electromagnetic properties of low-lying 0+ and 2+ excited states and isomeric states may provide a constraint on our understanding of nuclear deformation and intruder configuration in this region.

  3. Modeling of nonlinear viscous stress in encapsulating shells of lipid-coated contrast agent microbubbles.

    PubMed

    Doinikov, Alexander A; Haac, Jillian F; Dayton, Paul A

    2009-02-01

    A general theoretical approach to the development of zero-thickness encapsulation models for contrast microbubbles is proposed. The approach describes a procedure that allows one to recast available rheological laws from the bulk form to a surface form which is used in a modified Rayleigh-Plesset equation governing the radial dynamics of a contrast microbubble. By the use of the proposed procedure, the testing of different rheological laws for encapsulation can be carried out. Challenges of existing shell models for lipid-encapsulated microbubbles, such as the dependence of shell parameters on the initial bubble radius and the "compression-only" behavior, are discussed. Analysis of the rheological behavior of lipid encapsulation is made by using experimental radius-time curves for lipid-coated microbubbles with radii in the range 1.2-2.5 microm. The curves were acquired for a research phospholipid-coated contrast agent insonified with a 20 cycle, 3.0 MHz, 100 kPa acoustic pulse. The fitting of the experimental data by a model which treats the shell as a viscoelastic solid gives the values of the shell surface viscosity increasing from 0.30 x 10(-8) kg/s to 2.63 x 10(-8) kg/s for the range of bubble radii, indicated above. The shell surface elastic modulus increases from 0.054 N/m to 0.37 N/m. It is proposed that this increase may be a result of the lipid coating possessing the properties of both a shear-thinning and a strain-softening material. We hypothesize that these complicated rheological properties do not allow the existing shell models to satisfactorily describe the dynamics of lipid encapsulation. In the existing shell models, the viscous and the elastic shell terms have the linear form which assumes that the viscous and the elastic stresses acting inside the lipid shell are proportional to the shell shear rate and the shell strain, respectively, with constant coefficients of proportionality. The analysis performed in the present paper suggests that a more

  4. Modeling of nonlinear viscous stress in encapsulating shells of lipid-coated contrast agent microbubbles

    PubMed Central

    Doinikov, Alexander A.; Haac, Jillian F.; Dayton, Paul A.

    2009-01-01

    A general theoretical approach to the development of zero-thickness encapsulation models for contrast microbubbles is proposed. The approach describes a procedure that allows one to recast available rheological laws from the bulk form to a surface form which is used in a modified Rayleigh-Plesset equation governing the radial dynamics of a contrast microbubble. By the use of the proposed procedure, the testing of different rheological laws for encapsulation can be carried out. Challenges of existing shell models for lipid-encapsulated microbubbles, such as the dependence of shell parameters on the initial bubble radius and the “compression-only” behavior, are discussed. Analysis of the rheological behavior of lipid encapsulation is made by using experimental radius-time curves for lipid-coated microbubbles with radii in the range 1.2 – 2.5 μm. The curves were acquired for a research phospholipid-coated contrast agent insonified with a 20-cycle, 3.0 MHz, 100 kPa acoustic pulse. The fitting of the experimental data by a model which treats the shell as a viscoelastic solid gives the values of the shell surface viscosity increasing from 0.30×10-8 kg/s to 2.63×10-8 kg/s for the range of bubble radii indicated above. The shell surface elastic modulus increases from 0.054 N/m to 0.37 N/m. It is proposed that this increase may be a result of the lipid coating possessing the properties of both a shear-thinning and a strain-softening material. We hypothesize that these complicated rheological properties do not allow the existing shell models to satisfactorily describe the dynamics of lipid encapsulation. In the existing shell models, the viscous and the elastic shell terms have the linear form which assumes that the viscous and the elastic stresses acting inside the lipid shell are proportional to the shell shear rate and the shell strain, respectively, with constant coefficients of proportionality. The analysis performed in the present paper suggests that a more

  5. Projected shell model study of odd-odd f-p-g shell proton-rich nuclei

    NASA Astrophysics Data System (ADS)

    Palit, R.; Sheikh, J. A.; Sun, Y.; Jain, H. C.

    2003-01-01

    A systematic study of two-quasiparticle bands of the proton-rich odd-odd nuclei in the mass A˜70 80 region is performed using the projected shell model approach. The study includes Br, Rb, and Y isotopes with N=Z+2 and Z+4. We describe the energy spectra and electromagnetic transition strengths in terms of the configuration mixing of the angular-momentum projected multi-quasiparticle states. Signature splitting and signature inversion in the rotational bands are discussed and are shown to be well described. A preliminary study of the odd-odd N=Z nucleus 74Rb, using the concept of spontaneous symmetry breaking is also presented.

  6. Shear-flexible finite-element models of laminated composite plates and shells

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Mathers, M. D.

    1975-01-01

    Several finite-element models are applied to the linear static, stability, and vibration analysis of laminated composite plates and shells. The study is based on linear shallow-shell theory, with the effects of shear deformation, anisotropic material behavior, and bending-extensional coupling included. Both stiffness (displacement) and mixed finite-element models are considered. Discussion is focused on the effects of shear deformation and anisotropic material behavior on the accuracy and convergence of different finite-element models. Numerical studies are presented which show the effects of increasing the order of the approximating polynomials, adding internal degrees of freedom, and using derivatives of generalized displacements as nodal parameters.

  7. On the vibration of double-walled carbon nanotubes using molecular structural and cylindrical shell models

    NASA Astrophysics Data System (ADS)

    Ansari, R.; Rouhi, S.; Aryayi, M.

    2016-01-01

    The vibrational behavior of double-walled carbon nanotubes is studied by the use of the molecular structural and cylindrical shell models. The spring elements are employed to model the van der Waals interaction. The effects of different parameters such as geometry, chirality, atomic structure and end constraint on the vibration of nanotubes are investigated. Besides, the results of two aforementioned approaches are compared. It is indicated that by increasing the nanotube side length and radius, the computationally efficient cylindrical shell model gives rational results.

  8. Neutrinoless Double Beta Nuclear Matrix Elements Around Mass 80 in the Nuclear Shell Model

    NASA Astrophysics Data System (ADS)

    Yoshinaga, Naotaka; Higashiyama, Koji; Taguchi, Daisuke; Teruya, Eri

    The observation of the neutrinoless double-beta decay can determine whether the neutrino is a Majorana particle or not. In its theoretical nuclear side it is particularly important to estimate three types of nuclear matrix elements, namely, Fermi (F), Gamow-Teller (GT), and tensor (T) types matrix elements. The shell model calculations and also the pair-truncated shell model calculations are carried out to check the model dependence on nuclear matrix elements. In this work the neutrinoless double-beta decay for mass A = 82 nuclei is studied. It is found that the matrix elements are quite sensitive to the ground state wavefunctions.

  9. Models of spherical shells as sources of Majumdar-Papapetrou type spacetimes

    NASA Astrophysics Data System (ADS)

    García-Reyes, Gonzalo

    2017-03-01

    By starting with a seed Newtonian potential-density pair we construct relativistic thick spherical shell models for a Majumdar-Papapetrou type conformastatic spacetime. As a simple example, we considerer a family of Plummer-Hernquist type relativistic spherical shells. As a second application, these structures are then used to model a system composite by a dust disk and a halo of matter. We study the equatorial circular motion of test particles around such configurations. Also the stability of the orbits is analyzed for radial perturbation using an extension of the Rayleigh criterion. The models considered satisfying all the energy conditions.

  10. Small oscillations of a pressurized, elastic, spherical shell: Model and experiments

    NASA Astrophysics Data System (ADS)

    Kuo, K. A.; Hunt, H. E. M.; Lister, John R.

    2015-12-01

    This paper presents a model for the small oscillations of a pressurized, elastic, spherical shell subject to internal and external fluid effects. The shell has three features: a pressure difference across the skin; a thin, tensioned shell; and a double curved interfacial surface. An analytical solution for the natural frequencies and mode shapes, incorporating the inertia both of the shell and the surrounding fluids, is derived. Two key parameters that quantify the effect of pre-stress and fluid inertia on the shell's behaviour are identified. When the skin tension is set to zero and the inertial effects of the fluid are removed, the results converge to the analytical solution for an elastic spherical shell, and when the skin elasticity is neglected, the results converge to the constant-tension solution of a bubble. The analytical solution is used to predict the natural frequencies of a small balloon, based on a value for the elastic modulus that is determined using inflation measurements. These predictions are compared to experimental measurements of balloon vibrations using impact-hammer testing, and good agreement is seen.

  11. Mass measurements demonstrate a strong N=28 shell gap in argon.

    PubMed

    Meisel, Z; George, S; Ahn, S; Browne, J; Bazin, D; Brown, B A; Carpino, J F; Chung, H; Cyburt, R H; Estradé, A; Famiano, M; Gade, A; Langer, C; Matoš, M; Mittig, W; Montes, F; Morrissey, D J; Pereira, J; Schatz, H; Schatz, J; Scott, M; Shapira, D; Smith, K; Stevens, J; Tan, W; Tarasov, O; Towers, S; Wimmer, K; Winkelbauer, J R; Yurkon, J; Zegers, R G T

    2015-01-16

    We present results from recent time-of-flight nuclear mass measurements at the National Superconducting Cyclotron Laboratory at Michigan State University. We report the first mass measurements of ^{48}Ar and ^{49}Ar and find atomic mass excesses of -22.28(31)  MeV and -17.8(1.1)  MeV, respectively. These masses provide strong evidence for the closed shell nature of neutron number N=28 in argon, which is therefore the lowest even-Z element exhibiting the N=28 closed shell. The resulting trend in binding-energy differences, which probes the strength of the N=28 shell, compares favorably with shell-model calculations in the sd-pf shell using SDPF-U and SDPF-MU Hamiltonians.

  12. Mass Measurements Demonstrate a Strong N = 28 Shell Gap in Argon

    SciTech Connect

    Meisel, Z.; George, S.; Ahn, S.; Browne, J.; Bazin, D.; Brown, B. A.; Carpino, J. F.; Chung, H.; Cyburt, R. H.; Estradé, A.; Famiano, M.; Gade, A.; Langer, C.; Matoš, M.; Mittig, W.; Montes, F.; Morrissey, D. J.; Pereira, J.; Schatz, H.; Schatz, J.; Scott, M.; Shapira, D.; Smith, K.; Stevens, J.; Tan, W.; Tarasov, O.; Towers, S.; Wimmer, K.; Winkelbauer, J. R.; Yurkon, J.; Zegers, R. G. T.

    2015-01-01

    We present results from recent time-of-flight nuclear mass measurements at the National Superconducting Cyclotron Laboratory at Michigan State University. We report the first mass measurements of 48Ar and 49Ar and find atomic mass excesses of -22.28(31) MeV and -17.8(1.1) MeV, respectively. These masses provide strong evidence for the closed shell nature of neutron number N = 28 in argon, which is therefore the lowest even-Z element exhibiting the N = 28 closed shell. The resulting trend in binding-energy differences, which probes the strength of the N = 28 shell, compares favorably with shell-model calculations in the sd-pf shell using SDPF-U and SDPF-MU Hamiltonians.

  13. Mass Measurements Demonstrate a Strong N = 28 Shell Gap in Argon

    DOE PAGES

    Meisel, Z.; George, S.; Ahn, S.; ...

    2015-01-01

    We present results from recent time-of-flight nuclear mass measurements at the National Superconducting Cyclotron Laboratory at Michigan State University. We report the first mass measurements of 48Ar and 49Ar and find atomic mass excesses of -22.28(31) MeV and -17.8(1.1) MeV, respectively. These masses provide strong evidence for the closed shell nature of neutron number N = 28 in argon, which is therefore the lowest even-Z element exhibiting the N = 28 closed shell. The resulting trend in binding-energy differences, which probes the strength of the N = 28 shell, compares favorably with shell-model calculations in the sd-pf shell using SDPF-Umore » and SDPF-MU Hamiltonians.« less

  14. Characterization of tubal occlusion after transcervical polidocanol foam (PF) infusion in baboons.

    PubMed

    Jensen, Jeffrey T; Hanna, Carol; Yao, Shan; Bauer, Cassondra; Morgan, Terry K; Slayden, Ov D

    2015-08-01

    Our long-term goal is to develop a nonsurgical method of fallopian tubal occlusion for the purpose of permanent contraception. We have previously demonstrated that transcervical administration of 5% polidocanol foam (PF) can create tubal occlusion in macaques but that multiple treatments are required. In this study, we assessed the efficacy of various regimens of PF with and without depomedroxyprogesterone acetate (DMPA) (to control ovarian cycle phase) in the baboon. Adult cycling female baboons were evaluated for tubal patency by hysterosalpingography and then received a transcervical infusion of PF with (+) or without (-) an intramuscular injection of DMPA (3.5 mg/kg). Two concentrations of PF were compared: 1% [(+) DMPA, n=5; (-) DMPA, n=3] and 5% [(+) DMPA, n=4; (-) DMPA, n=3]. Controls received (+) DMPA (n=2) or (-) DMPA, (n=3) only. The reproductive tracts were removed 1-3 months after treatment for examination. No fallopian tubal occlusion was observed in negative controls (±DMPA). Histologic complete tubal occlusion was observed in 3/8 of females treated with 1% PF and in 6/7 treated with 5% PF. Histologic evaluation suggested that 1% PF is associated with prolonged chronic inflammation (more than 2-3 months), while 5% treatment eliminates the epithelial lining, at least focally, and resolves into complete occlusion within 1-2 months. This pattern of complete occlusion was seen in all 4 females that received 5% PF (+DMPA) and in 2/3 that received 5% PF (-DMPA). In a baboon model of transcervical permanent contraception, a single treatment with 5% PF resulted in complete tubal occlusion more reliably (85%) than 1% PF (38%). Cotreatment with DMPA may improve treatment results with 5% PF but requires additional study. A finding that a single transcervical treatment with 5% PF can occlude the fallopian tubes of baboon supports further study of this approach as a novel strategy for permanent contraception for women. Copyright © 2015 Elsevier Inc. All rights

  15. Refined hierarchical kinematics quasi-3D Ritz models for free vibration analysis of doubly curved FGM shells and sandwich shells with FGM core

    NASA Astrophysics Data System (ADS)

    Fazzolari, Fiorenzo A.; Carrera, Erasmo

    2014-02-01

    In this paper, the Ritz minimum energy method, based on the use of the Principle of Virtual Displacements (PVD), is combined with refined Equivalent Single Layer (ESL) and Zig Zag (ZZ) shell models hierarchically generated by exploiting the use of Carrera's Unified Formulation (CUF), in order to engender the Hierarchical Trigonometric Ritz Formulation (HTRF). The HTRF is then employed to carry out the free vibration analysis of doubly curved shallow and deep functionally graded material (FGM) shells. The PVD is further used in conjunction with the Gauss theorem to derive the governing differential equations and related natural boundary conditions. Donnell-Mushtari's shallow shell-type equations are given as a particular case. Doubly curved FGM shells and doubly curved sandwich shells made up of isotropic face sheets and FGM core are investigated. The proposed shell models are widely assessed by comparison with the literature results. Two benchmarks are provided and the effects of significant parameters such as stacking sequence, boundary conditions, length-to-thickness ratio, radius-to-length ratio and volume fraction index on the circular frequency parameters and modal displacements are discussed.

  16. Influence of an asymmetric ring on the modeling of an orthogonally stiffened cylindrical shell

    NASA Technical Reports Server (NTRS)

    Rastogi, Naveen; Johnson, Eric R.

    1994-01-01

    Structural models are examined for the influence of a ring with an asymmetrical cross section on the linear elastic response of an orthogonally stiffened cylindrical shell subjected to internal pressure. The first structural model employs classical theory for the shell and stiffeners. The second model employs transverse shear deformation theories for the shell and stringer and classical theory for the ring. Closed-end pressure vessel effects are included. Interacting line load intensities are computed in the stiffener-to-skin joints for an example problem having the dimensions of the fuselage of a large transport aircraft. Classical structural theory is found to exaggerate the asymmetric response compared to the transverse shear deformation theory.

  17. Proton-neutron coupling in the Gamow shell model: The lithium chain

    NASA Astrophysics Data System (ADS)

    Michel, N.; Nazarewicz, W.; Płoszajczak, M.

    2004-12-01

    The shell model in the complex- k plane (the so-called Gamow shell model) has recently been formulated and applied to the structure of weakly bound, neutron-rich nuclei. The completeness relations of Newton and Berggren, which apply to the neutron case, are strictly valid for finite-range potentials. However, for long-range potentials, such as the Coulomb potential for protons, for which the arguments based on the Mittag-Leffler theory do not hold, the completeness still needs to be demonstrated. This has been done in this paper, both analytically and numerically. The generalized Berggren relations are then used in the first Gamow shell model study of nuclei having both valence neutrons and protons, namely, the lithium chain. The single-particle basis used is that of the Hartree-Fock-inspired potential generated by a finite-range residual interaction. The effect of isospin mixing in excited unbound states is discussed.

  18. Evaluation of the Agonist PET Radioligand [11C]GR103545 to Image Kappa Opioid Receptor in Humans: Kinetic Model Selection, Test-Retest Reproducibility and Receptor Occupancy by the Antagonist PF-04455242

    PubMed Central

    Naganawa, Mika; Jacobsen, Leslie K.; Zheng, Ming-Qiang; Lin, Shu-Fei; Banerjee, Anindita; Byon, Wonkyung; Weinzimmer, David; Tomasi, Giampaolo; Nabulsi, Nabeel; Grimwood, Sarah; Badura, Lori L.; Carson, Richard E.; McCarthy, Timothy J.; Huang, Yiyun

    2014-01-01

    Introduction Kappa opioid receptors (KOR) are implicated in several brain disorders. In this report, a first-in-human Positron Emission Tomography (PET) study was conducted with the potent and selective KOR agonist tracer, [11C]GR103545, to determine an appropriate kinetic model for analysis of PET imaging data and assess the test-retest reproducibility of model-derived binding parameters. The non-displaceable distribution volume (VND) was estimated from a blocking study with naltrexone. In addition, KOR occupancy of PF-04455242, a selective KOR antagonist that is active in preclinical models of depression, was also investigated. Methods For determination of a kinetic model and evaluation of test-retest reproducibility, 11 subjects were scanned twice with [11C]GR103545. Seven subjects were scanned before and 75 min after oral administration of naltrexone (150 mg). For the KOR occupancy study, six subjects were scanned at baseline and 1.5 h and 8 h after an oral dose of PF-04455242 (15 mg, n = 1 and 30 mg, n = 5). Metabolite-corrected arterial input functions were measured and all scans were 150 min in duration. Regional time-activity curves (TACs) were analyzed with 1- and 2-tissue compartment models (1TC and 2TC) and the multilinear analysis (MA1) method to derive regional volume of distribution (VT). Relative test-retest variability (TRV), absolute test-retest variability (aTRV) and intra-class coefficient (ICC) were calculated to assess test-retest reproducibility of regional VT. Occupancy plots were computed for blocking studies to estimate occupancy and VND. The half maximal inhibitory concentration (IC50) of PF-04455242 was determined from occupancies and drug concentrations in plasma. [11C]GR103545 in vivo KD was also estimated. Results Regional TACs were well described by the 2TC model and MA1. However, 2TC VT was sometimes estimated with high standard error. Thus MA1 was the model of choice. Test-retest variability was ~15%, depending on the outcome

  19. Model comparison to evaluate a shell quality bio-complex in layer hens.

    PubMed

    Arango, J; Wolc, A; Settar, P; O'Sullivan, N P

    2016-11-01

    Reducing the incidence of egg shell breakage is an important selection goal in egg layer hens breeding. Breaking strength provides an indicator of static shell resistance correlated with shell thickness. Acoustic egg tests combine shell's resonance profile with egg mass to calculate dynamic stiffness (KDyn) a quantitative indicator of integral shell resistance, and a novel direct detection of both cracks and micro-cracks (MCr) making it possible for use in selection programs aiming improvement of shell quality. A shell quality bio-complex was defined to improve overall shell quality, including: breaking strength at equator (BSe) and poles (BSp), KDyn, and MCr, on multiple eggs/hen-age. A total of 81,667; 101,113; and 72,462 records from 4 generations of three pure lines were evaluated. Two models were tested in the brown-egg line: I) four-trait linear repeatability model and II) three-trait linear (BS, KDyn)-threshold (MCr) in the three lines. Models were implemented with AIREMLF90 and THRGIBBS1F90. Heritability and repeatability (Model I) estimates were: h(2) = 0.14, 0.18, 0.33, and 0.02; r = 0.16, 0.28, 0.43, and 0.03 for BSe, BSp, KDyn, and MCr, respectively. Corresponding values in White Plymouth Rock were h(2) = 0.14, 0.17, 0.33, and 0.02; r = 0.21, 0.33, 0.44, and 0.04, and in White Leghorn were h(2) = 0.14, 0.23, 0.36, and 0.02; r = 0.24, 0.38, 0.52, and 0.02. Genetic correlations between BSe and BSp were between 0.51 and 0.68. The BS traits were moderately correlated with KDyn (+0.23 to +0.51), and tended to be negatively correlated with MCr. KDyn, and MCr (-0.46 to -0.62). Model II had similar results; except for increased h(2) = 0.06 and r = 0.09 for MCr. Results indicate that BSe and BSp are different traits; while incidence of MCr is low in heritable but showed negative genetic correlations with the other traits. This makes MCr unsuitable for direct selection; but favors indirect selection against MCr via BSe, BSp, and KDyn for a holistic selection to

  20. A Shell/3D Modeling Technique for the Analyses of Delaminated Composite Laminates

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; OBrien, T. Kevin

    2001-01-01

    A shell/3D modeling technique was developed for which a local three-dimensional solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provided a kinematically compatible interface between the local three-dimensional model and the global structural model which has been meshed with plate or shell finite elements. Double Cantilever Beam (DCB), End Notched Flexure (ENF), and Single Leg Bending (SLB) specimens were modeled using the shell/3D technique to study the feasibility for pure mode I (DCB), mode II (ENF) and mixed mode I/II (SLB) cases. Mixed mode strain energy release rate distributions were computed across the width of the specimens using the virtual crack closure technique. Specimens with a unidirectional layup and with a multidirectional layup where the delamination is located between two non-zero degree plies were simulated. For a local three-dimensional model, extending to a minimum of about three specimen thicknesses on either side of the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential for reducing the model size, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

  1. A Shell/3D Modeling Technique for the Analyses of Delaminated Composite Laminates

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; OBrien, T. Kevin

    2001-01-01

    A shell/3D modeling technique was developed for which a local three-dimensional solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provided a kinematically compatible interface between the local three-dimensional model and the global structural model which has been meshed with plate or shell finite elements. Double Cantilever Beam (DCB), End Notched Flexure (ENF), and Single Leg Bending (SLB) specimens were modeled using the shell/3D technique to study the feasibility for pure mode I (DCB), mode II (ENF) and mixed mode I/II (SLB) cases. Mixed mode strain energy release rate distributions were computed across the width of the specimens using the virtual crack closure technique. Specimens with a unidirectional layup and with a multidirectional layup where the delamination is located between two non-zero degree plies were simulated. For a local three-dimensional model, extending to a minimum of about three specimen thicknesses on either side of the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential for reducing the model size, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

  2. Li+ solvation and kinetics of Li+-BF4-/PF6- ion pairs in ethylene carbonate. A molecular dynamics study with classical rate theories

    NASA Astrophysics Data System (ADS)

    Chang, Tsun-Mei; Dang, Liem X.

    2017-10-01

    Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ethylene carbonate (EC) exchange process between the first and second solvation shells around Li+ and the dissociation kinetics of ion pairs Li+-[BF4] and Li+-[PF6] in this solvent. We calculate the exchange rates using transition state theory and correct them with transmission coefficients computed by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found that the residence times of EC around Li+ ions varied from 60 to 450 ps, depending on the correction method used. We found that the relaxation times changed significantly from Li+-[BF4] to Li+-[PF6] ion pairs in EC. Our results also show that, in addition to affecting the free energy of dissociation in EC, the anion type also significantly influences the dissociation kinetics of ion pairing.

  3. Modeling of the growth of GaAs–AlGaAs core–shell nanowires

    PubMed Central

    Voorhees, Peter W; Davis, Stephen H

    2017-01-01

    Heterostructured GaAs–AlGaAs core–shell nanowires with have attracted much attention because of their significant advantages and great potential for creating high performance nanophotonics and nanoelectronics. The spontaneous formation of Al-rich stripes along certain crystallographic directions and quantum dots near the apexes of the shell are observed in AlGaAs shells. Controlling the formation of these core–shell heterostructures remains challenging. A two-dimensional model valid on the wire cross section, that accounts for capillarity in the faceted surface limit and deposition has been developed for the evolution of the shell morphology and concentration in AlxGa1− xAs alloys. The model includes a completely faceted shell–vapor interface. The objective is to understand the mechanisms of the formation of the radial heterostructures (Al-rich stripes and Al-poor quantum dots) in the nanowire shell. There are two issues that need to be understood. One is the mechanism responsible for the morphological evolution of the shells. Analysis and simulation results suggest that deposition introduces facets not present on the equilibrium Wulff shapes. A balance between diffusion and deposition yields the small facets with sizes varying slowly over time, which yield stripe structures, whereas deposition-dominated growth can lead to quantum-dot structures observed in experiments. There is no self-limiting facet size in this case. The other issue is the mechanism responsible for the segregation of Al atoms in the shells. It is found that the mobility difference of the atoms on the {112} and {110} facets together determine the non-uniform concentration of the atoms in the shell. In particular, even though the mobility of Al on {110} facets is smaller than that of Ga, Al-rich stripes are predicted to form along the {112} facets when the difference of the mobilities of Al and Ga atoms is sufficiently large on {112} facets. As the size of the shell increases, deposition

  4. Stability of core-shell nanowires in selected model solutions

    NASA Astrophysics Data System (ADS)

    Kalska-Szostko, B.; Wykowska, U.; Basa, A.; Zambrzycka, E.

    2015-03-01

    This paper presents the studies of stability of magnetic core-shell nanowires prepared by electrochemical deposition from an acidic solution containing iron in the core and modified surface layer. The obtained nanowires were tested according to their durability in distilled water, 0.01 M citric acid, 0.9% NaCl, and commercial white wine (12% alcohol). The proposed solutions were chosen in such a way as to mimic food related environment due to a possible application of nanowires as additives to, for example, packages. After 1, 2 and 3 weeks wetting in the solutions, nanoparticles were tested by Infrared Spectroscopy, Atomic Absorption Spectroscopy, Transmission Electron Microscopy and X-ray diffraction methods.

  5. Study of fractal features of magnetized plasma through an MHD shell model

    NASA Astrophysics Data System (ADS)

    Domínguez, M.; Nigro, G.; Muñoz, V.; Carbone, V.

    2017-07-01

    A magnetohydrodynamic (MHD) shell model is used to describe the dissipative events which take place in magnetized plasmas. A scatter plot box-counting fractal dimension D is calculated for the time series of the magnetic energy dissipation rate obtained in the MHD shell model, and the correlation between D and the energy dissipation rate is analyzed. We show that, depending on the values of the viscosity and the diffusivity, the fractal dimension and the occurrence of bursts exhibit correlations similar to those observed in previous studies.

  6. Giant M1 states in Zr isotopes within the simple shell model

    NASA Astrophysics Data System (ADS)

    Toki, H.; Cha, D.; Bertsch, G.

    1981-09-01

    The newly observed M1 states in the (p,p') experiment on the Zr isotopes are considered within the simple shell model. The calculation with a constant strength δ function interaction reproduces the excitation energies and the slight increase of the M1 strength at small momentum transfer with mass number. We need about a factor of 2 quenching to reproduce the cross sections at small angles, which is in accordance with the general finding for magnetic transitions. NUCLEAR STRUCTURE 90-96Zr; shell model calculations, 1+ states.

  7. Application of the hybrid-Trefftz finite element model to thin shell analysis

    NASA Astrophysics Data System (ADS)

    Voros, Gabor

    The paper presents the results of a preliminary study on thin shallow shell element based on the hybrid-Trefftz (HT) model. This model adopts an assumed nonconforming displacement field which satisfies a priori the governing differential equations. The interelement continuity and the boundary conditions are enforced by frame fields defined in terms of the conventional nodal freedoms. In the p-extension, the frame functions involve an optional number of hierarchic displacement modes. Numerical results present the capability of the new shell element which can be implemented in existing finite element codes.

  8. Mixed-symmetry 2 sup + state of sup 56 Fe in realistic shell model

    SciTech Connect

    Nakada, H. ); Otsuka, T. ); Sebe, T. )

    1991-08-26

    The mixed-symmetry 2{sup +} state of {sup 56}Fe is investigated by a large-scale shell-model calculation. We can reproduce the experimental energy levels by the Kuo-Brown interaction, as well as the {ital E}2 and {ital M}1 transition probabilities. The ({ital e},{ital e}{prime}) form factors are also reproduced by including the core-polarization effect. By inspecting the shell-model wave functions thus tested, it is found that the 2{sub 2}{sup +} and 2{sub 4}{sup +} states share a large fraction of the mixed-symmetry component.

  9. Shell Tectonics: A Mechanical Model for Strike-slip Displacement on Europa

    NASA Technical Reports Server (NTRS)

    Rhoden, Alyssa Rose; Wurman, Gilead; Huff, Eric M.; Manga, Michael; Hurford, Terry A.

    2012-01-01

    We introduce a new mechanical model for producing tidally-driven strike-slip displacement along preexisting faults on Europa, which we call shell tectonics. This model differs from previous models of strike-slip on icy satellites by incorporating a Coulomb failure criterion, approximating a viscoelastic rheology, determining the slip direction based on the gradient of the tidal shear stress rather than its sign, and quantitatively determining the net offset over many orbits. This model allows us to predict the direction of net displacement along faults and determine relative accumulation rate of displacement. To test the shell tectonics model, we generate global predictions of slip direction and compare them with the observed global pattern of strike-slip displacement on Europa in which left-lateral faults dominate far north of the equator, right-lateral faults dominate in the far south, and near-equatorial regions display a mixture of both types of faults. The shell tectonics model reproduces this global pattern. Incorporating a small obliquity into calculations of tidal stresses, which are used as inputs to the shell tectonics model, can also explain regional differences in strike-slip fault populations. We also discuss implications for fault azimuths, fault depth, and Europa's tectonic history.

  10. Multi-shell model of ion-induced nucleic acid condensation

    PubMed Central

    Tolokh, Igor S.; Drozdetski, Aleksander V.; Pollack, Lois; Onufriev, Alexey V.

    2016-01-01

    We present a semi-quantitative model of condensation of short nucleic acid (NA) duplexes induced by trivalent cobalt(iii) hexammine (CoHex) ions. The model is based on partitioning of bound counterion distribution around single NA duplex into “external” and “internal” ion binding shells distinguished by the proximity to duplex helical axis. In the aggregated phase the shells overlap, which leads to significantly increased attraction of CoHex ions in these overlaps with the neighboring duplexes. The duplex aggregation free energy is decomposed into attractive and repulsive components in such a way that they can be represented by simple analytical expressions with parameters derived from molecular dynamic simulations and numerical solutions of Poisson equation. The attractive term depends on the fractions of bound ions in the overlapping shells and affinity of CoHex to the “external” shell of nearly neutralized duplex. The repulsive components of the free energy are duplex configurational entropy loss upon the aggregation and the electrostatic repulsion of the duplexes that remains after neutralization by bound CoHex ions. The estimates of the aggregation free energy are consistent with the experimental range of NA duplex condensation propensities, including the unusually poor condensation of RNA structures and subtle sequence effects upon DNA condensation. The model predicts that, in contrast to DNA, RNA duplexes may condense into tighter packed aggregates with a higher degree of duplex neutralization. An appreciable CoHex mediated RNA-RNA attraction requires closer inter-duplex separation to engage CoHex ions (bound mostly in the “internal” shell of RNA) into short-range attractive interactions. The model also predicts that longer NA fragments will condense more readily than shorter ones. The ability of this model to explain experimentally observed trends in NA condensation lends support to proposed NA condensation picture based on the multivalent

  11. Multi-shell model of ion-induced nucleic acid condensation

    NASA Astrophysics Data System (ADS)

    Tolokh, Igor S.; Drozdetski, Aleksander V.; Pollack, Lois; Baker, Nathan A.; Onufriev, Alexey V.

    2016-04-01

    We present a semi-quantitative model of condensation of short nucleic acid (NA) duplexes induced by trivalent cobalt(iii) hexammine (CoHex) ions. The model is based on partitioning of bound counterion distribution around single NA duplex into "external" and "internal" ion binding shells distinguished by the proximity to duplex helical axis. In the aggregated phase the shells overlap, which leads to significantly increased attraction of CoHex ions in these overlaps with the neighboring duplexes. The duplex aggregation free energy is decomposed into attractive and repulsive components in such a way that they can be represented by simple analytical expressions with parameters derived from molecular dynamic simulations and numerical solutions of Poisson equation. The attractive term depends on the fractions of bound ions in the overlapping shells and affinity of CoHex to the "external" shell of nearly neutralized duplex. The repulsive components of the free energy are duplex configurational entropy loss upon the aggregation and the electrostatic repulsion of the duplexes that remains after neutralization by bound CoHex ions. The estimates of the aggregation free energy are consistent with the experimental range of NA duplex condensation propensities, including the unusually poor condensation of RNA structures and subtle sequence effects upon DNA condensation. The model predicts that, in contrast to DNA, RNA duplexes may condense into tighter packed aggregates with a higher degree of duplex neutralization. An appreciable CoHex mediated RNA-RNA attraction requires closer inter-duplex separation to engage CoHex ions (bound mostly in the "internal" shell of RNA) into short-range attractive interactions. The model also predicts that longer NA fragments will condense more readily than shorter ones. The ability of this model to explain experimentally observed trends in NA condensation lends support to proposed NA condensation picture based on the multivalent "ion binding

  12. A Shell/3D Modeling Technique for Delaminations in Composite Laminates

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald

    1999-01-01

    A shell/3D modeling technique was developed for which a local solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provide a kinematically compatible interface between the local 3D model and the global structural model which has been meshed with plate or shell finite elements. For simple double cantilever beam (DCB), end notched flexure (ENF), and single leg bending (SLB) specimens, mixed mode energy release rate distributions were computed across the width from nonlinear finite element analyses using the virtual crack closure technique. The analyses served to test the accuracy of the shell/3D technique for the pure mode I case (DCB), mode II case (ENF) and a mixed mode I/II case (SLB). Specimens with a unidirectional layup where the delamination is located between two 0 plies, as well as a multidirectional layup where the delamination is located between two non-zero degree plies, were simulated. For a local 3D model extending to a minimum of about three specimen thicknesses in front of and behind the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

  13. A Shell/3D Modeling Technique for Delaminations in Composite Laminates

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald

    1999-01-01

    A shell/3D modeling technique was developed for which a local solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provide a kinematically compatible interface between the local 3D model and the global structural model which has been meshed with plate or shell finite elements. For simple double cantilever beam (DCB), end notched flexure (ENF), and single leg bending (SLB) specimens, mixed mode energy release rate distributions were computed across the width from nonlinear finite element analyses using the virtual crack closure technique. The analyses served to test the accuracy of the shell/3D technique for the pure mode I case (DCB), mode II case (ENF) and a mixed mode I/II case (SLB). Specimens with a unidirectional layup where the delamination is located between two 0 plies, as well as a multidirectional layup where the delamination is located between two non-zero degree plies, were simulated. For a local 3D model extending to a minimum of about three specimen thicknesses in front of and behind the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

  14. Finite-Difference Time-Domain (FDTD) Modeling of Gold Core-Shell Structures with Different Shell Morphology for Surface-Enhanced Raman Spectroscopy (SERS)

    NASA Astrophysics Data System (ADS)

    Gorunmez, Zohre; Jana, Debrina; He, Jie; Sagle, Laura; Beck, Thomas

    Core-shell (CS) nanostructures have received attention in recent years due to their usefulness in applications ranging from catalysis to cancer treatment. SERS has been shown to be one of the most sensitive techniques for molecular detection, achieving single molecule detection. It has been established that the electromagnetic mechanism (EM) provides the main contribution to SERS enhancement due to the normal Raman spectroscopy arising from coupling of both the incident and re-emitted fields. The FDTD technique has been developed to provide numerical solutions to Maxwell's time-dependent curl equations in order to promise modeling capabilities for EM enhancement of SERS. Herein, we apply this method to the study of three morphologically different gold core-shell nanoparticles to investigate their contributions to SERS. In these structures, the dye/probe molecule resides in between the shell and the core and only the shell morphology is altered. The data shows that the surface plasmon resonances (PRs) influencing the SERS of the probe molecules, due to the coupling of the core and shell, are tunable by changing the shell morphologies and CS structures with sharp features on their surfaces highlight larger enhancements due to stronger localized surface PRs. University of Cincinnati start-up funds, NSF, Ohio Supercomputer Center, and the Ministry of National Education of the Republic of Turkey.

  15. Thermal cycles from a two-zone accreting model - X-ray bursts and shell flashes

    NASA Astrophysics Data System (ADS)

    Regev, O.; Livio, M.

    1984-05-01

    The mechanisms of red-giant shell-flash emission and neutron-star X-ray bursts are investigated theoretically, extending the two-zone model of Barranco et al. (1980) by means of a third time-dependent nonlinear equation to account for the accretion process. The physical assumptions are explained, the equations are derived, and the results of numerical integration are presented graphically for a set of standard input parameters and several variants. Two types of limit-cycle oscillations are identified: thermal oscillations arising from nuclear burning in a thin shell of red giants (leading to shell flashes) and oscillations driven by both nuclear burning and mass accretion in the high-density thermonuclear-ignition region at the surface of neutron stars (leading to X-ray bursts). The two-zone model is shown to account for such burster properties as high-accretion rate stabilization, core heat-exchange effects, and double-peaked bursts.

  16. Analysis of two colliding fractionally damped spherical shells in modelling blunt human head impacts

    NASA Astrophysics Data System (ADS)

    Rossikhin, Yury; Shitikova, Marina

    2013-06-01

    The collision of two elastic or viscoelastic spherical shells is investigated as a model for the dynamic response of a human head impacted by another head or by some spherical object. Determination of the impact force that is actually being transmitted to bone will require the model for the shock interaction of the impactor and human head. This model is indended to be used in simulating crash scenarios in frontal impacts, and provide an effective tool to estimate the severity of effect on the human head and to estimate brain injury risks. The model developed here suggests that after the moment of impact quasi-longitudinal and quasi-transverse shock waves are generated, which then propagate along the spherical shells. The solution behind the wave fronts is constructed with the help of the theory of discontinuities. It is assumed that the viscoelastic features of the shells are exhibited only in the contact domain, while the remaining parts retain their elastic properties. In this case, the contact spot is assumed to be a plane disk with constant radius, and the viscoelastic features of the shells are described by the fractional derivative standard linear solid model. In the case under consideration, the governing differential equations are solved analytically by the Laplace transform technique. It is shown that the fractional parameter of the fractional derivative model plays very important role, since its variation allows one to take into account the age-related changes in the mechanical properties of bone.

  17. Model uncertainties of local-thermodynamic-equilibrium K-shell spectroscopy

    NASA Astrophysics Data System (ADS)

    Nagayama, T.; Bailey, J. E.; Mancini, R. C.; Iglesias, C. A.; Hansen, S. B.; Blancard, C.; Chung, H. K.; Colgan, J.; Cosse, Ph.; Faussurier, G.; Florido, R.; Fontes, C. J.; Gilleron, F.; Golovkin, I. E.; Kilcrease, D. P.; Loisel, G.; MacFarlane, J. J.; Pain, J.-C.; Rochau, G. A.; Sherrill, M. E.; Lee, R. W.

    2016-09-01

    Local-thermodynamic-equilibrium (LTE) K-shell spectroscopy is a common tool to diagnose electron density, ne, and electron temperature, Te, of high-energy-density (HED) plasmas. Knowing the accuracy of such diagnostics is important to provide quantitative conclusions of many HED-plasma research efforts. For example, Fe opacities were recently measured at multiple conditions at the Sandia National Laboratories Z machine (Bailey et al., 2015), showing significant disagreement with modeled opacities. Since the plasma conditions were measured using K-shell spectroscopy of tracer Mg (Nagayama et al., 2014), one concern is the accuracy of the inferred Fe conditions. In this article, we investigate the K-shell spectroscopy model uncertainties by analyzing the Mg spectra computed with 11 different models at the same conditions. We find that the inferred conditions differ by ±20-30% in ne and ±2-4% in Te depending on the choice of spectral model. Also, we find that half of the Te uncertainty comes from ne uncertainty. To refine the accuracy of the K-shell spectroscopy, it is important to scrutinize and experimentally validate line-shape theory. We investigate the impact of the inferred ne and Te model uncertainty on the Fe opacity measurements. Its impact is small and does not explain the reported discrepancies.

  18. Computer Modeling of the Dynamic Strength of Metal-Plastic Cylindrical Shells Under Explosive Loading

    NASA Astrophysics Data System (ADS)

    Abrosimov, N. A.; Novosel'tseva, N. A.

    2017-05-01

    A technique for numerically analyzing the dynamic strength of two-layer metal-plastic cylindrical shells under an axisymmetric internal explosive loading is developed. The kinematic deformation model of the layered package is based on a nonclassical theory of shells. The geometric relations are constructed using relations of the simplest quadratic version of the nonlinear elasticity theory. The stress and strain tensors in the composite macrolayer are related by Hooke's law for an orthotropic body with account of degradation of the stiffness characteristics of the multilayer package due to local failure of some its elementary layers. The physical relations in the metal layer are formulated in terms of a differential theory of plasticity. An energy-correlated resolving system of dynamic equations for the metal-plastic cylindrical shells is derived by minimizing the functional of total energy of the shells as three-dimensional bodies. The numerical method for solving the initial boundary-value problem formulated is based on an explicit variational-difference scheme. The reliability of the technique considered is verified by comparing numerical results with experimental data. An analysis of the ultimate strains and strength of one-layer basalt-and glass-fiber-reinforced plastic and two-layer metalplastic cylindrical shells is carried out.

  19. No-Core Shell Model Calculations in Light Nuclei with Three-Nucleon Forces

    SciTech Connect

    Barrett, B R; Vary, J P; Nogga, A; Navratil, P; Ormand, W E

    2004-01-08

    The ab initio No-Core Shell Model (NCSM) has recently been expanded to include nucleon-nucleon (NN) and three-nucleon (3N) interactions at the three-body cluster level. Here it is used to predict binding energies and spectra of p-shell nuclei based on realistic NN and 3N interactions. It is shown that 3N force (3NF) properties can be studied in these nuclear systems. First results show that interactions based on chiral perturbation theory lead to a realistic description of {sup 6}Li.

  20. A model for high frequency guided wave inspection of curved shells

    NASA Astrophysics Data System (ADS)

    Roberts, R.; Pardini, A.; Diaz, A.

    2002-05-01

    Modeling work is reported in support of the development of an ultrasonic measurement to detect stress corrosion cracking in the shell of a nuclear waste storage tank, where transducer access is restricted to distances of several feet from the suspected flaw location. The measurement uses a 3.5 MHz 70 degree shear wave that propagates from the transducer to flaw site through a series of multiple reflections between the outer and inner walls of the shell. Results are shown which explain experimentally observed complexities in the received signals.

  1. Line Spring Model and Its Applications to Part-Through Crack Problems in Plates and Shells

    NASA Technical Reports Server (NTRS)

    Erdogan, F.; Aksel, B.

    1986-01-01

    The line spring model is described and extended to cover the problem of interaction of multiple internal and surface cracks in plates and shells. The shape functions for various related crack geometries obtained from the plane strain solution and the results of some multiple crack problems are presented. The problems considered include coplanar surface cracks on the same or opposite sides of a plate, nonsymmetrically located coplanar internal elliptic cracks, and in a very limited way the surface and corner cracks in a plate of finite width and a surface crack in a cylindrical shell with fixed end.

  2. Shell model calculation for Te and Sn isotopes in the vicinity of {sup 100}Sn

    SciTech Connect

    Yakhelef, A.; Bouldjedri, A.

    2012-06-27

    New Shell Model calculations for even-even isotopes {sup 104-108}Sn and {sup 106,108}Te, in the vicinity of {sup 100}Sn have been performed. The calculations have been carried out using the windows version of NuShell-MSU. The two body matrix elements TBMEs of the effective interaction between valence nucleons are obtained from the renormalized two body effective interaction based on G-matrix derived from the CD-bonn nucleon-nucleon potential. The single particle energies of the proton and neutron valence spaces orbitals are defined from the available spectra of lightest odd isotopes of Sb and Sn respectively.

  3. Compact Q -balls and Q -shells in C PN-type models

    NASA Astrophysics Data System (ADS)

    Klimas, P.; Livramento, L. R.

    2017-07-01

    We show that the C PN model with an odd number of scalar fields and a V -shaped potential possesses some finite energy compact solutions in the form of Q -balls and Q -shells. Such solutions were obtained in 3 +1 dimensions. The Q -balls appear for N =1 and N =3 , whereas the Q -shells are present for higher odd numbers N . We show that the energy of the solutions behaves as E ˜|Q |5 /6 , where Q stands for the Noether charge.

  4. A viscoplastic model of expanding cylindrical shells subject to internal explosive detonations

    SciTech Connect

    Martineau, R.L.; Anderson, C.A.; Smith, F.W.

    1998-12-31

    Thin cylindrical shells subjected to internal explosive detonations expand outwardly at strain-rates on the order 10{sup 4} s{sup {minus}1}. At approximately 150% strain, multiple plastic instabilities appear on the surface of these shells in a quasi-periodic pattern. These instabilities continue to develop into bands of localized shear and eventually form cracks that progress in a way that causes the shell to break into fragments. The entire process takes less than 100 microseconds from detonation to complete fragmentation. Modeling this high strain-rate expansion and generation of instabilities prior to fragmentation is the primary focus of this paper. Applications for this research include hypervelocity accelerators, flux compression generators, and explosive containment vessels for terrorist threats and power plants.

  5. Ab Initio No-Core Shell Model Calculations Using Realistic Two- and Three-Body Interactions

    SciTech Connect

    Navratil, P; Ormand, W E; Forssen, C; Caurier, E

    2004-11-30

    There has been significant progress in the ab initio approaches to the structure of light nuclei. One such method is the ab initio no-core shell model (NCSM). Starting from realistic two- and three-nucleon interactions this method can predict low-lying levels in p-shell nuclei. In this contribution, we present a brief overview of the NCSM with examples of recent applications. We highlight our study of the parity inversion in {sup 11}Be, for which calculations were performed in basis spaces up to 9{Dirac_h}{Omega} (dimensions reaching 7 x 10{sup 8}). We also present our latest results for the p-shell nuclei using the Tucson-Melbourne TM three-nucleon interaction with several proposed parameter sets.

  6. Region of validity of the Thomas-Fermi model with quantum, exchange and shell corrections

    NASA Astrophysics Data System (ADS)

    Dyachkov, S. A.; Levashov, P. R.; Minakov, D. V.

    2016-11-01

    A novel approach to calculate thermodynamically consistent shell corrections in wide range of parameters is used to predict the region of validity of the Thomas-Fermi approach. Calculated thermodynamic functions of electrons at high density are consistent with the more precise density functional theory. It makes it possible to work out a semi-classical model applicable both at low and high density.

  7. A diagonalization algorithm revisited and applied to the nuclear shell model

    NASA Astrophysics Data System (ADS)

    Bianco, D.; Andreozzi, F.; Lo Iudice, N.; Porrino, A.; Knapp, F.

    2011-02-01

    An importance sampling iterative algorithm for diagonalizing large matrices is upgraded and adopted for large scale nuclear shell model calculations using a spin uncoupled basis. Its numerical implementation shows that the iterative procedure converges rapidly to the exact eigensolutions achieving an effective drastic cut of the sizes of the Hamiltonian matrix. Communicated by Professor A Covello

  8. A nonlocal elastic anisotropic shell model for microtubule buckling behaviors in cytoplasm

    NASA Astrophysics Data System (ADS)

    Gao, Yuanwen; An, Le

    2010-07-01

    The buckling behaviors of microtubules (MTs) in a living cell have been studied based on the nonlocal anisotropic shell theory and Stokes flow theory. The analytical expressions for the buckling load and the growth rate of the buckling are obtained and discussed. In addition, the pressure on MTs, resulting from cytosol motion, is derived on the basis of the Stokes flow theory. The influences of filament network elasticity and the shear modulus of MTs, especially the cytosol viscosity and MT small scale effects on MT buckling behaviors, are investigated. The analytical results show that the MT buckling growth rate increases with the MT small scale parameter, while decreases as the filament network elastic modulus, the MT shear modulus and cytoplasm viscosity increase. Although the cytosol viscosity has a significant influence on the value of the growth rate, it shows little effects on the range of the axial wave number of buckling as well as the critical axial wave number that corresponds to the maximal growth rate. Finally, the MT buckling growth rates have been calculated using the beam model, the isotropic shell model, and the anisotropic shell model. The results indicate that using the anisotropy shell theory to model the buckling behavior of MTs is necessary.

  9. Laboratory Measurement and Theoretical Modeling of K-shell X-ray Lines from Inner-shell Excited and Ionized Ions of Oxygen

    SciTech Connect

    Gu, M; Schmidt, M; Beiersdorfer, P; Chen, H; Thorn, D B; Tr?bert, E; Behar, E; Kahn, S M

    2005-02-05

    We present high resolution laboratory spectra of K-shell X-ray lines from inner-shell excited and ionized ions of oxygen, obtained with a reflection grating spectrometer on the electron beam ion trap (EBIT-I) at the Lawrence Livermore National Laboratory. Only with a multi-ion model including all major atomic collisional and radiative processes, are we able to identify the observed K-shell transitions of oxygen ions from O III to O VI. The wavelengths and associated errors for some of the strongest transitions are given, taking into account both the experimental and modeling uncertainties. The present data should be useful in identifying the absorption features present in astrophysical sources, such as active galactic nuclei and X-ray binaries. They are also useful in providing benchmarks for the testing of theoretical atomic structure calculations.

  10. Proceedings of a symposium on the occasion of the 40th anniversary of the nuclear shell model

    SciTech Connect

    Lee, T.S.H.; Wiringa, R.B.

    1990-03-01

    This report contains papers on the following topics: excitation of 1p-1h stretched states with the (p,n) reaction as a test of shell-model calculations; on Z=64 shell closure and some high spin states of {sup 149}Gd and {sup 159}Ho; saturating interactions in {sup 4}He with density dependence; are short-range correlations visible in very large-basis shell-model calculations ; recent and future applications of the shell model in the continuum; shell model truncation schemes for rotational nuclei; the particle-hole interaction and high-spin states near A-16; magnetic moment of doubly closed shell +1 nucleon nucleus {sup 41}Sc(I{sup {pi}}=7/2{sup {minus}}); the new magic nucleus {sup 96}Zr; comparing several boson mappings with the shell model; high spin band structures in {sup 165}Lu; optical potential with two-nucleon correlations; generalized valley approximation applied to a schematic model of the monopole excitation; pair approximation in the nuclear shell model; and many-particle, many-hole deformed states.

  11. Revisiting the monopole components of effective interactions for the shell model

    NASA Astrophysics Data System (ADS)

    Wang, X. B.; Dong, G. X.

    2015-12-01

    In this paper, we revisit the monopole components of effective interactions for the shell model. Without going through specific nuclei or shell gaps, universal roles of central, tensor, and spin-orbit forces can be proved, reflecting the intrinsic features of shell model effective interactions. For monopole matrix elements, even and odd channels of central force often have a canceling effect. However, for the contributions to the shell evolution, its even and odd channels could have both positive or negative contributions, enhancing the role of central force on the shell structure. Tensor force is generally weaker than central force. However, for the effect on shell evolutions, tensor force can dominate or play a competitive role. A different systematics has been discovered between T = 1 and 0 channels. For example, tensor force, well established in the T = 0 channel, becomes uncertain in the T = 1 channel. We calculate the properties of neutron-rich oxygen and calcium isotopes in order to study T = 1 channel interactions further. It is learned that the main improvements of empirical interactions are traced to the central force. For non-central forces, antisymmetric spin-orbit (ALS) force, originated from many-body perturbations or three-body force, could also play an explicit role. T = 1 tensor forces are less constrained so their effect can differ in different empirical interactions. The influence of tensor force may sometimes be canceled by many-body effects. For T = 0 channels of effective interactions, which is the main source of neutron-proton correlations, central and tensor forces are the leading components. For T = 1 channels, which can act between like-particles, the request for many-body correlations could be more demanding, so that the monopole anomaly of the T = 1 channel might be more serious.

  12. Maxwell rheological model for lipid-shelled ultrasound microbubble contrast agents.

    PubMed

    Doinikov, Alexander A; Dayton, Paul A

    2007-06-01

    The present paper proposes a model that describes the encapsulation of microbubble contrast agents by the linear Maxwell constitutive equation. The model also incorporates the translational motion of contrast agent microbubbles and takes into account radiation losses due to the compressibility of the surrounding liquid. To establish physical features of the proposed model, comparative analysis is performed between this model and two existing models, one of which treats the encapsulation as a viscoelastic solid following the Kelvin-Voigt constitutive equation and the other assumes that the encapsulating layer behaves as a viscous Newtonian fluid. Resonance frequencies, damping coefficients, and scattering cross sections for the three shell models are compared in the regime of linear oscillation. Translational displacements predicted by the three shell models are examined by numerically calculating the general, nonlinearized equations of motion for weakly nonlinear excitation. Analogous results for free bubbles are also presented as a basis to which calculations made for encapsulated bubbles can be related. It is shown that the Maxwell shell model possesses specific physical features that are unavailable in the two other models.

  13. Investigation of the mechanical interaction of the trabecular core with an external shell using rapid prototype and finite element models.

    PubMed

    Mc Donnell, P; Harrison, N; Lohfeld, S; Kennedy, O; Zhang, Y; Mc Hugh, P E

    2010-01-01

    The mechanical properties of vertebral bone have been widely studied with the ultimate goal of improving fracture risk prediction. However, the mechanical interaction between the cortical shell and the trabecular core is not well understood. The objective of this study was to investigate this interaction and to determine what effect it has on the ultimate strength of the whole bone. This objective was achieved by compression testing rapid prototype (RP) models of cylindrical trabecular bone cores, with and without an integral surrounding shell and incorporating increasing levels of artificially induced bone loss. Corresponding finite element (FE) models were generated and the load sharing of the shell and trabecular core was analysed under linear elastic loading conditions. The results of the physical RP model tests and corresponding FE analyses indicated that there was a reinforcing effect between the cortical shell and the trabecular core for all models tested and that the reinforcing effect became relatively more important to the ultimate strength of the whole bone as the bone volume fraction of the trabecular core decreased. It was found that two mechanisms contributed to the reinforcing effect: (i) load transfer from the highly stressed shell into the connecting outer trabeculae of the core for the shelled model. This did not occur for the un-shelled model where the load dropped off at the outer unsupported trabeculae; (ii) the stiffening effect on the shell due to the support provided by the connecting struts of the trabecular core, which serves to inhibit bending and buckling behaviour in the shell under compression loading. It was found that the stiffening on the shell was the more dominant contributor to the overall reinforcing effect between the shell and the trabecular core.

  14. Mathematical construction of an engineering thermopiezoelastic model for smart composite shells

    NASA Astrophysics Data System (ADS)

    Yu, Wenbin; Hodges, Dewey H.

    2005-02-01

    An engineering model for composite piezoelectric shells under mechanical, thermal, and electrical loads has been constructed mathematically using the variational-asymptotic method. This work presents a unique formulation of the nonlinear, three-dimensional, one-way coupled, thermopiezoelasticity problem having the combined merits of both mathematical rigor and engineering simplicity. The variational-asymptotic method is used to rigorously split the three-dimensional problem into two problems: a nonlinear, two-dimensional, shell analysis over the reference surface to obtain the global response, and a linear analysis through the thickness to provide both the generalized shell constitutive model and recovery relations to approximate the original three-dimensional fields. The asymptotically correct electric enthalpy obtained herein is cast into the Reissner-Mindlin form to account for transverse shear deformation including the geometrical refinement due to initial curvatures. Recovery relations have been provided to obtain accurate stress distribution through the thickness. The present model is implemented into the computer program VAPAS. Results for several cases obtained from VAPAS are compared with exact thermopiezoelasticity solutions, classical lamination theory, and first-order shear-deformation theory. An excellent compromise between efficiency and accuracy for analyzing piezoelectric composite shells has been achieved. Part of this paper was presented at the 45th Structures, Structural Dynamics and Materials Conference, Palm Springs, California, April 19-22, 2004.

  15. Modeling of semi-shell nanostructures formed by metal deposition on dielectric nanospheres and numerical evaluation of plasmonic properties

    NASA Astrophysics Data System (ADS)

    Fujimura, Ryushi; Zhang, Ruzhi; Kitamoto, Yoshitaka; Shimojo, Masayuki; Kajikawa, Kotaro

    2014-03-01

    A theoretical model of semi-shell structures formed by metal deposition is constructed for accurate prediction of plasmonic properties. Our model takes account of the influence of metal migration after deposition and the granular nature of the metal. Validity of our model was confirmed by the fact that the plasmonic resonances simulated by our model agreed well with those obtained by experiment. Simulations using the discrete dipole approximation revealed that the semi-shells formed by metal deposition show a larger absorption cross-section than semi-shells fabricated by reshaping of fully-covered core-shells. The deposition type semi-shell is suitable for the photothermal therapy because a larger temperature rise is expected due to greater absorption.

  16. Drug release profile in core-shell nanofibrous structures: a study on Peppas equation and artificial neural network modeling.

    PubMed

    Maleki, Mahboubeh; Amani-Tehran, Mohammad; Latifi, Masoud; Mathur, Sanjay

    2014-01-01

    Release profile of drug constituent encapsulated in electrospun core-shell nanofibrous mats was modeled by Peppas equation and artificial neural network. Core-shell fibers were fabricated by co-axial electrospinning process using tetracycline hydrochloride (TCH) as the core and poly(l-lactide-co-glycolide) (PLGA) or polycaprolactone (PCL) as the shell materials. The density and hydrophilicity of the shell polymers, feed rates and concentrations of core and shell phases, the contribution of TCH in core material and electrical field were the parameters fed to the perceptron network to predict Peppas constants in order to derive release pattern. This study demonstrated the viability of the prediction tool in determining drug release profile of electrospun core-shell nanofibrous scaffolds.

  17. Multi-dimensional models of circumstellar shells around evolved massive stars

    NASA Astrophysics Data System (ADS)

    van Marle, A. J.; Keppens, R.

    2012-11-01

    Context. Massive stars shape their surrounding medium through the force of their stellar winds, which collide with the circumstellar medium. Because the characteristics of these stellar winds vary over the course of the evolution of the star, the circumstellar matter becomes a reflection of the stellar evolution and can be used to determine the characteristics of the progenitor star. In particular, whenever a fast wind phase follows a slow wind phase, the fast wind sweeps up its predecessor in a shell, which is observed as a circumstellar nebula. Aims: We make 2D and 3D numerical simulations of fast stellar winds sweeping up their slow predecessors to investigate whether numerical models of these shells have to be 3D, or whether 2D models are sufficient to reproduce the shells correctly. Methods: We use the MPI-AMRVAC code, using hydrodynamics with optically thin radiative losses included, to make numerical models of circumstellar shells around massive stars in 2D and 3D and compare the results. We focus on those situations where a fast Wolf-Rayet star wind sweeps up the slower wind emitted by its predecessor, being either a red supergiant or a luminous blue variable. Results: As the fast Wolf-Rayet wind expands, it creates a dense shell of swept up material that expands outward, driven by the high pressure of the shocked Wolf-Rayet wind. These shells are subject to a fair variety of hydrodynamic-radiative instabilities. If the Wolf-Rayet wind is expanding into the wind of a luminous blue variable phase, the instabilities will tend to form a fairly small-scale, regular filamentary lattice with thin filaments connecting knotty features. If the Wolf-Rayet wind is sweeping up a red supergiant wind, the instabilities will form larger interconnected structures with less regularity. The numerical resolution must be high enough to resolve the compressed, swept-up shell and the evolving instabilities, which otherwise may not even form. Conclusions: Our results show that 3D

  18. Interplay between the pairing and quadrupole interactions in the algebraic realization of the microscopic shell model

    NASA Astrophysics Data System (ADS)

    Drumev, Kalin; Georgieva, Ana

    2015-04-01

    We explore the algebraic realization of the Pairing-Plus-Quadrupole Model/PQM/ in the framework of the Elliott‘s SU(3) Model with the aim to obtain the complementary and competing features of the two interactions through the relation between the pairing and the SU(3) bases. First, we establish a correspondence between the SO(8) pairing basis and the Elliott's SU(3) basis. It is derived from their complementarity to the same LST coupling chain of the shell-model number-conserving algebra. The probability distribution of the SU(3) basis states within the SO(8) pairing states is also obtained and allows the investigation of the interplay between the pairing and quadrupole interactions in the Hamiltonian of the PQM, containing both of them as limiting cases. The description of some realistic N∼Z nuclear systems is investigated in a SU(3)-symmetry-adapted basis within a model space of one and two oscillator shells.

  19. The AP-1 transcription factor homolog Pf-AP-1 activates transcription of multiple biomineral proteins and potentially participates in Pinctada fucata biomineralization.

    PubMed

    Zheng, Xiangnan; Cheng, Minzhang; Xiang, Liang; Liang, Jian; Xie, Liping; Zhang, Rongqing

    2015-09-25

    Activator protein-1 (AP-1) is an important bZIP transcription factor that regulates a series of physiological processes by specifically activating transcription of several genes, and one of its well-chartered functions in mammals is participating in bone mineralization. We isolated and cloned the complete cDNA of a Jun/AP-1 homolog from Pinctada fucata and called it Pf-AP-1. Pf-AP-1 had a highly conserved bZIP region and phosphorylation sites compared with those from mammals. A tissue distribution analysis showed that Pf-AP-1 was ubiquitously expressed in P. fucata and the mRNA level of Pf-AP-1 is extremely high in mantle. Pf-AP-1 expression was positively associated with multiple biomineral proteins in the mantle. The luciferase reporter assay in a mammalian cell line showed that Pf-AP-1 significantly up-regulates the transcriptional activity of the promoters of KRMP, Pearlin, and Prisilkin39. Inhibiting the activity of Pf-AP-1 depressed the expression of multiple matrix proteins. Pf-AP-1 showed a unique expression pattern during shell regeneration and pearl sac development, which was similar to the pattern observed for biomineral proteins. These results suggest that the Pf-AP-1 AP-1 homolog is an important transcription factor that regulates transcription of several biomineral proteins simultaneously and plays a role in P. fucata biomineralization, particularly during pearl and shell formation.

  20. Shell model estimate of electric dipole moments in medium and heavy nuclei

    NASA Astrophysics Data System (ADS)

    Teruya, E.; Yoshinaga, N.; Higashiyama, K.

    2014-03-01

    It is evidence for an extension of the Standard Model in particle physics, if static electric dipole moments (EDMs) are measured for any elementary particle. The nuclear EDM arises mainly from two sources: one comes from asymmetric charge distribution in a nucleus and the other is due to the nucleon intrinsic EDM. We estimate the nuclear EDMs from two sources for the 1/21+ states in Xe isotopes by a shell model approach using full orbitals between magic numbers 50 and 82.

  1. Core/shell CdS/ZnS nanoparticles: Molecular modelling and characterization by photocatalytic decomposition of Methylene Blue

    NASA Astrophysics Data System (ADS)

    Praus, Petr; Svoboda, Ladislav; Tokarský, Jonáš; Hospodková, Alice; Klemm, Volker

    2014-02-01

    Core/shell CdS/ZnS nanoparticles were modelled in the Material Studio environment and synthesized by one-pot procedure. The core CdS radius size and thickness of the ZnS shell composed of 1-3 ZnS monolayers were predicted from the molecular models. From UV-vis absorption spectra of the CdS/ZnS colloid dispersions transition energies of CdS and ZnS nanostructures were calculated. They indicated penetration of electrons and holes from the CdS core into the ZnS shell and relaxation strain in the ZnS shell structure. The transitions energies were used for calculation of the CdS core radius by the Schrödinger equation. Both the relaxation strain in ZnS shells and the size of the CdS core radius were predicted by the molecular modelling. The ZnS shell thickness and a degree of the CdS core coverage were characterized by the photocatalytic decomposition of Methylene Blue (MB) using CdS/ZnS nanoparticles as photocatalysts. The observed kinetic constants of the MB photodecomposition (kobs) were evaluated and a relationship between kobs and the ZnS shell thickness was derived. Regression results revealed that 86% of the CdS core surface was covered with ZnS and the average thickness of ZnS shell was about 12% higher than that predicted by molecular modelling.

  2. Modeling shell morphology of an epitoniid species with parametric equations

    NASA Astrophysics Data System (ADS)

    Bernido, Christopher C.; Carpio-Bernido, M. Victoria; Sadudaquil, Jerome A.; Salas, Rochelle I.; Mangyao, Justin Ericson A.; Halasan, Lorenzo C.; Baja, Paz Kenneth S.; Jumawan, Ethel Jade V.

    2017-08-01

    An epitoniid specimen under the genus Cycloscala is mathematically modeled using parametric equations which allow comparison of growth functions and parameter values with other specimens of the same genus. This mathematical modeling approach may supplement the currently used genetic and microscopy methods in the taxonomic classification of species.

  3. Comparative study of adsorptive removal of Cr(VI) ion from aqueous solution in fixed bed column by peanut shell and almond shell using empirical models and ANN.

    PubMed

    Banerjee, Munmun; Bar, Nirjhar; Basu, Ranjan Kumar; Das, Sudip Kumar

    2017-04-01

    Cr(VI) is a toxic water pollutant, which causes cancer and mutation in living organisms. Adsorption has become the most preferred method for removal of Cr(VI) due to its high efficiency and low cost. Peanut and almond shells were used as adsorbents in downflow fixed bed continuous column operation for Cr(VI) removal. The experiments were carried out to scrutinise the adsorptive capacity of the peanut shells and almond shells, as well as to find out the effect of various operating parameters such as column bed depth (5-10 cm), influent flow rate (10-22 ml min(-1)) and influent Cr(VI) concentration (10-20 mg L(-1)) on the Cr(VI) removal. The fixed bed column operation for Cr(VI) adsorption the equilibrium was illustrated by Langmuir isotherm. Different well-known mathematical models were applied to the experimental data to identify the best-fitted model to explain the bed dynamics. Prediction of the bed dynamics by Yan et al. model was found to be satisfactory. Applicability of artificial neural network (ANN) modelling is also reported. An ANN modelling of multilayer perceptron with gradient descent and Levenberg-Marquardt algorithms have also been tried to predict the percentage removal of Cr(VI). This study indicates that these adsorbents have an excellent potential and are useful for water treatment particularly small- and medium-sized industries of third world countries. Almond shell represents better adsorptive capacity as breakthrough time and exhaustion time are longer in comparison to peanut shell.

  4. Effectively-truncated large-scale shell-model calculations and nuclei around 100Sn

    NASA Astrophysics Data System (ADS)

    Gargano, A.; Coraggio, L.; Itaco, N.

    2017-09-01

    This paper presents a short overview of a procedure we have recently introduced, dubbed the double-step truncation method, which is aimed to reduce the computational complexity of large-scale shell-model calculations. Within this procedure, one starts with a realistic shell-model Hamiltonian defined in a large model space, and then, by analyzing the effective single particle energies of this Hamiltonian as a function of the number of valence protons and/or neutrons, reduced model spaces are identified containing only the single-particle orbitals relevant to the description of the spectroscopic properties of a certain class of nuclei. As a final step, new effective shell-model Hamiltonians defined within the reduced model spaces are derived by way of a unitary transformation of the original large-scale Hamiltonian. A detailed account of this transformation is given and the merit of the double-step truncation method is illustrated by discussing few selected results for 96Mo, described as four protons and four neutrons outside 88Sr. Some new preliminary results for light odd-tin isotopes from A = 101 to 107 are also reported.

  5. Heat transfer models for predicting Salmonella enteritidis in shell eggs through supply chain distribution.

    PubMed

    Almonacid, S; Simpson, R; Teixeira, A

    2007-11-01

    Egg and egg preparations are important vehicles for Salmonella enteritidis infections. The influence of time-temperature becomes important when the presence of this organism is found in commercial shell eggs. A computer-aided mathematical model was validated to estimate surface and interior temperature of shell eggs under variable ambient and refrigerated storage temperature. A risk assessment of S. enteritidis based on the use of this model, coupled with S. enteritidis kinetics, has already been reported in a companion paper published earlier in JFS. The model considered the actual geometry and composition of shell eggs and was solved by numerical techniques (finite differences and finite elements). Parameters of interest such as local (h) and global (U) heat transfer coefficient, thermal conductivity, and apparent volumetric specific heat were estimated by an inverse procedure from experimental temperature measurement. In order to assess the error in predicting microbial population growth, theoretical and experimental temperatures were applied to a S. enteritidis growth model taken from the literature. Errors between values of microbial population growth calculated from model predicted compared with experimentally measured temperatures were satisfactorily low: 1.1% and 0.8% for the finite difference and finite element model, respectively.

  6. Multiscaling in Hall-magnetohydrodynamic turbulence: insights from a shell model.

    PubMed

    Banerjee, Debarghya; Ray, Samriddhi Sankar; Sahoo, Ganapati; Pandit, Rahul

    2013-10-25

    We show that a shell-model version of the three-dimensional Hall-magnetohydrodynamic (3D Hall-MHD) equations provides a natural theoretical model for investigating the multiscaling behaviors of velocity and magnetic structure functions. We carry out extensive numerical studies of this shell model, obtain the scaling exponents for its structure functions, in both the low-k and high-k power-law ranges of three-dimensional Hall-magnetohydrodynamic, and find that the extended-self-similarity procedure is helpful in extracting the multiscaling nature of structure functions in the high-k regime, which otherwise appears to display simple scaling. Our results shed light on intriguing solar-wind measurements.

  7. Computational models for high-temperature multilayered composite plates and shells

    SciTech Connect

    Noor, A.K.; Burton, W.S.

    1992-12-01

    The focus of this review is on the hierarchy of composite models, predictor-corrector procedures, the effect of temperature-dependence of material properties on the response, and the sensitivity of the thermomechanical response to variations in material parameters. The literature reviewed is devoted to the following eight application areas: heat transfer; thermal stresses; curing, processing and residual stresses; bifurcation buckling; vibrations of heated plates and shells; large deflection and postbuckling problems; and sandwich plates and shells. Extensive numerical results are presented showing the effects of variation in the lamination and geometric parameters of temperature-sensitive angle-ply composite plates on the accuracy of thermal buckling response, and the sensitivity derivatives predicted by nine different modeling approaches (based on two-dimensional theories). The standard of comparison is taken to be the exact three-dimensional thermoelasticity solutions. Some future directions for research on the modeling of high-temperature multilayered composites are outlined. 448 ref., 16 figs., 11 tabs.

  8. Half-life calculation of one-proton emitters with a shell model potential

    SciTech Connect

    Rodrigues, M. M.; Duarte, S. B.

    2013-03-25

    The accumulated amount of data for half-lives of proton emitters still remains a challenge to the ability of nuclear models to reproduce them consistently. These nuclei are far from beta stability line in a region where the validity of current nuclear models is not guaranteed. A nuclear shell model is introduced to the calculation of the nuclear barrier of less deformed proton emitters. The predictions using the proposed model are in good agreement with the data, with the advantage of have used only a single parameter in the model.

  9. Modeling and optimization of shape change in shell spatial cross-sections under superplastic moulding

    NASA Astrophysics Data System (ADS)

    Chumachenko, E. N.

    2008-08-01

    The necessity to develop and optimize new technological processes of gas moulding of shells under the superplasticity conditions, which ensure large elongation and complexity of the shape of end items, makes the specialists in the field of mathematical simulation to pose and solve problems of constant improvement of the imitation models. Because of a large number of "embedded" nonlinearities (the physical properties of the material, friction, and unknown boundaries), the solution of such problems requires large computer resources, high qualification of designers, and large amount of labor. In the present paper, we consider the problems of express analysis of pattern change of spatial shells on the basis of estimation of the behavior of their critical cross-sections. We solve problems of moulding of titan shells (made of VT6 alloy) in a matrix of complicated shape. We theoretically and experimentally justify the methods for predicting and constructing the optimal technological processes of shell deformation under conditions close to superplasticity by using the 2.5D designing procedures.

  10. Modeling K- and L-shell Spectra from Cu Wire Array Implosions on ZR

    NASA Astrophysics Data System (ADS)

    Clark, R. W.; Dasgupta, A.; Giuliani, J. L.; Ouart, N. D.; Jones, B.; Ampleford, D. J.; Coverdale, C. A.

    2012-10-01

    We will examine K- and L-shell data obtained from the copper nested wire-array SNL shot Z1975, and compare it with data obtained from a simulation using the 1-D DZAPP radiation-hydrodynamics code. In addition to Cu, lines of Ni, Fe and Cr were observed in the experimental spectra, and we performed the calculations with an appropriate mixture of these elements. In the present analysis, we find support for an alternative K-alpha model which competes with the better known e-beam generation mechanism, wherein K-shell photons from hot plasma on or near the axis are absorbed in a dense, cool annular envelope via inner-shell photoionization. The resulting electronic relaxation of the absorbing ions produces the K-alpha radiation. By generating radially resolved synthetic spectra from self-consistent calculations of K-shell vacancy formation, and characterizing the energies of the resulting K-alpha radiation, diagnostics are obtained which can help differentiate between beam generated and photon driven K-alpha radiation.

  11. Modeling heterogeneous polymer-grafted nanoparticle networks having biomimetic core-shell structure

    NASA Astrophysics Data System (ADS)

    Mbanga, Badel L.; Yashin, Victor V.; Holten-Andersen, Niels; Balazs, Anna C.

    Inspired by the remarkable mechanical properties of such biological structures as mussel adhesive fibers, we use 3D computational modeling to study the behavior of heterogeneous polymer-grafted nanoparticle (PGN) networks under tensile deformation. The building block of a PGN network is a nanoparticle with grafted polymer chains whose free ends' reactive groups can form both permanent and labile bonds with the end chains on the nearby particles. The tunable behavior of cross-linked PGN networks makes them excellent candidates for designing novel materials with enhanced mechanical properties. Here, we consider the PGN networks having the core-shell structures, in which the type and strength of the inter-particle bonds in the outer shell differ from those in the core. Using the computer simulations, we obtain and compare the ultimate tensile properties (strength, toughness, ductility) and the strain recovery properties for the uniform samples and various core-shell structures. We demonstrate that the core-shell structures could be designed to obtain highly resilient self-healing materials

  12. Model reduction for parametric instability analysis in shells conveying fluid

    NASA Astrophysics Data System (ADS)

    Kochupillai, Jayaraj; Ganesan, N.; Padmanabhan, Chandramouli

    2003-05-01

    Flexible pipes conveying fluid are often subjected to parametric excitation due to time-periodic flow fluctuations. Such systems are known to exhibit complex instability phenomena such as divergence and coupled-mode flutter. Investigators have typically used weighted residual techniques, to reduce the continuous system model into a discrete model, based on approximation functions with global support, for carrying out stability analysis. While this approach is useful for straight pipes, modelling based on FEM is needed for the study of complicated piping systems, where the approximation functions used are local in support. However, the size of the problem is now significantly larger and for computationally efficient stability analysis, model reduction is necessary. In this paper, model reduction techniques are developed for the analysis of parametric instability in flexible pipes conveying fluids under a mean pressure. It is shown that only those linear transformations which leave the original eigenvalues of the linear time invariant system unchanged are admissible. The numerical technique developed by Friedmann and Hammond (Int. J. Numer. Methods Eng. Efficient 11 (1997) 1117) is used for the stability analysis. One of the key research issues is to establish criteria for deciding the basis vectors essential for an accurate stability analysis. This paper examines this issue in detail and proposes new guidelines for their selection.

  13. Isospin symmetry breaking and large-scale shell-model calculations with the Sakurai-Sugiura method

    NASA Astrophysics Data System (ADS)

    Mizusaki, Takahiro; Kaneko, Kazunari; Sun, Yang; Tazaki, Shigeru

    2015-05-01

    Recently isospin symmetry breaking for mass 60-70 region has been investigated based on large-scale shell-model calculations in terms of mirror energy differences (MED), Coulomb energy differences (CED) and triplet energy differences (TED). Behind these investigations, we have encountered a subtle problem in numerical calculations for odd-odd N = Z nuclei with large-scale shell-model calculations. Here we focus on how to solve this subtle problem by the Sakurai-Sugiura (SS) method, which has been recently proposed as a new diagonalization method and has been successfully applied to nuclear shell-model calculations.

  14. Multi-shell model of ion-induced nucleic acid condensation

    SciTech Connect

    Tolokh, Igor S.; Drozdetski, Aleksander V.; Pollack, Lois; Baker, Nathan A.; Onufriev, Alexey V.

    2016-04-21

    We present a semi-quantitative model of condensation of short nucleic acid (NA) duplexes in- duced by tri-valent cobalt hexammine (CoHex) ions. The model is based on partitioning of bound counterion distribution around single NA duplex into “external” and “internal” ion binding shells distinguished by the proximity to duplex helical axis. The duplex aggregation free energy is de- composed into attraction and repulsion components represented by simple analytic expressions. The source of the short-range attraction between NA duplexes in the aggregated phase is the in- teraction of CoHex ions in the overlapping regions of the “external” shells with the oppositely charged duplexes. The attraction depends on CoHex binding affinity to the “external” shell of nearly neutralized duplex and the number of ions in the shell overlapping volume. For a given NA duplex sequence and structure, these parameters are estimated from molecular dynamics simula- tion. The attraction is opposed by the residual repulsion of nearly neutralized duplexes as well as duplex configurational entropy loss upon aggregation. The estimates of the aggregation free energy are consistent with the experimental range of NA duplex condensation propensities, including the unusually poor condensation of RNA structures and subtle sequence effects upon DNA conden- sation. The model predicts that, in contrast to DNA, RNA duplexes may condense into tighter packed aggregates with a higher degree of duplex neutralization. The model also predicts that longer NA fragments will condense easier than shorter ones. The ability of this model to explain experimentally observed trends in NA condensation, lends support to proposed NA condensation picture based on the multivalent “ion binding shells”.

  15. Shell Models of RMHD Turbulence and the Heating of Solar Coronal Loops

    NASA Technical Reports Server (NTRS)

    Buchlin, E.; Velli, Marco C.

    2007-01-01

    A simplified nonlinear numerical model for the development of incompressible magnetohydrodynamics in the presence of a strong magnetic field B|| and stratification, nicknamed 'Shell-Atm,' is presented. In planes orthogonal to the mean field, the nonlinear incompressible dynamics is replaced by two-dimensional shell models for the complex variables u and b, allowing one to reach large Reynolds numbers while at the same time carrying out sufficiently long integrations to obtain good statistics at moderate computational cost. The shell models of different planes are coupled by Alfve'n waves propagating along B||. The model may be applied to open or closed magnetic field configurations where the axial field dominates and the plasma pressure is low; here we apply it to the specific case of a magnetic loop of the solar corona heated by means of turbulence driven by photospheric motions, and we use statistics for its analysis. The Alfven waves interact nonlinearly and form turbulent spectra in the directions perpendicular and, through propagation, also parallel to the mean field. A heating function is obtained and shown to be intermittent; the average heating is consistent with values required for sustaining a hot corona and is proportional to the aspect ratio of the loop to the -1.5 power, and haracteristic properties of heating events are distributed as power laws. Crosscorrelations show a delay of dissipation compared with energy content.

  16. Shell Models of RMHD Turbulence and the Heating of Solar Coronal Loops

    NASA Technical Reports Server (NTRS)

    Buchlin, E.; Velli, Marco C.

    2007-01-01

    A simplified nonlinear numerical model for the development of incompressible magnetohydrodynamics in the presence of a strong magnetic field B|| and stratification, nicknamed 'Shell-Atm,' is presented. In planes orthogonal to the mean field, the nonlinear incompressible dynamics is replaced by two-dimensional shell models for the complex variables u and b, allowing one to reach large Reynolds numbers while at the same time carrying out sufficiently long integrations to obtain good statistics at moderate computational cost. The shell models of different planes are coupled by Alfve'n waves propagating along B||. The model may be applied to open or closed magnetic field configurations where the axial field dominates and the plasma pressure is low; here we apply it to the specific case of a magnetic loop of the solar corona heated by means of turbulence driven by photospheric motions, and we use statistics for its analysis. The Alfven waves interact nonlinearly and form turbulent spectra in the directions perpendicular and, through propagation, also parallel to the mean field. A heating function is obtained and shown to be intermittent; the average heating is consistent with values required for sustaining a hot corona and is proportional to the aspect ratio of the loop to the -1.5 power, and haracteristic properties of heating events are distributed as power laws. Crosscorrelations show a delay of dissipation compared with energy content.

  17. Modelling K shell spectra from short pulse heated buried microdot targets

    NASA Astrophysics Data System (ADS)

    Hoarty, D. J.; Sircombe, N.; Beiersdorfer, P.; Brown, C. R. D.; Hill, M. P.; Hobbs, L. M. R.; James, S. F.; Morton, J.; Hill, E.; Jeffery, M.; Harris, J. W. O.; Shepherd, R.; Marley, E.; Magee, E.; Emig, J.; Nilsen, J.; Chung, H. K.; Lee, R. W.; Rose, S. J.

    2017-06-01

    K shell X-ray emission measurements have been used to diagnose plasma conditions in short-pulse heated buried microdot targets on the Orion high power laser. These experiments have been used to validate simulations of short pulse laser-solid interaction that combine hybrid PIC modelling of the laser absorption with radiation-hydrodynamics simulations including an electron transport model. Comparison of these simulations with streaked K shell spectroscopy show the importance of including radial gradients in fitting the spectra. An example is presented of the emission of sulphur from a 50 μm diameter microdot sample buried in a plastic foil. Previously agreement between simulation and experiment was obtained only by treating the absorbed energy, electron temperature and beam divergence as fitting parameters. The good agreement obtained in this work used the measured laser energy and laser pulse length and calculated the laser-solid target interaction from first principles.

  18. Al13H-: hydrogen atom site selectivity and the shell model.

    PubMed

    Grubisic, A; Li, X; Stokes, S T; Vetter, K; Ganteför, G F; Bowen, K H; Jena, P; Kiran, B; Burgert, R; Schnöckel, H

    2009-09-28

    Using a combination of anion photoelectron spectroscopy and density functional theory calculations, we explored the influence of the shell model on H atom site selectivity in Al(13)H(-). Photoelectron spectra revealed that Al(13)H(-) has two anionic isomers and for both of them provided vertical detachment energies (VDEs). Theoretical calculations found that the structures of these anionic isomers differ by the position of the hydrogen atom. In one, the hydrogen atom is radially bonded, while in the other, hydrogen caps a triangular face. VDEs for both anionic isomers as well as other energetic relationships were also calculated. Comparison of the measured versus calculated VDE values permitted the structure of each isomer to be confirmed and correlated with its observed photoelectron spectrum. Shell model, electron-counting considerations correctly predicted the relative stabilities of the anionic isomers and identified the stable structure of neutral Al(13)H.

  19. Al13H-: Hydrogen atom site selectivity and the shell model

    NASA Astrophysics Data System (ADS)

    Grubisic, A.; Li, X.; Stokes, S. T.; Vetter, K.; Ganteför, G. F.; Bowen, K. H.; Jena, P.; Kiran, B.; Burgert, R.; Schnöckel, H.

    2009-09-01

    Using a combination of anion photoelectron spectroscopy and density functional theory calculations, we explored the influence of the shell model on H atom site selectivity in Al13H-. Photoelectron spectra revealed that Al13H- has two anionic isomers and for both of them provided vertical detachment energies (VDEs). Theoretical calculations found that the structures of these anionic isomers differ by the position of the hydrogen atom. In one, the hydrogen atom is radially bonded, while in the other, hydrogen caps a triangular face. VDEs for both anionic isomers as well as other energetic relationships were also calculated. Comparison of the measured versus calculated VDE values permitted the structure of each isomer to be confirmed and correlated with its observed photoelectron spectrum. Shell model, electron-counting considerations correctly predicted the relative stabilities of the anionic isomers and identified the stable structure of neutral Al13H.

  20. Dynamo onset as a first-order transition: lessons from a shell model for magnetohydrodynamics.

    PubMed

    Sahoo, Ganapati; Mitra, Dhrubaditya; Pandit, Rahul

    2010-03-01

    We carry out systematic and high-resolution studies of dynamo action in a shell model for magnetohydrodynamic (MHD) turbulence over wide ranges of the magnetic Prandtl number PrM and the magnetic Reynolds number ReM. Our study suggests that it is natural to think of dynamo onset as a nonequilibrium first-order phase transition between two different turbulent, but statistically steady, states. The ratio of the magnetic and kinetic energies is a convenient order parameter for this transition. By using this order parameter, we obtain the stability diagram (or nonequilibrium phase diagram) for dynamo formation in our MHD shell model in the (PrM-1,ReM) plane. The dynamo boundary, which separates dynamo and no-dynamo regions, appears to have a fractal character. We obtain a hysteretic behavior of the order parameter across this boundary and suggestions of nucleation-type phenomena.

  1. Projected shell model for Gamow-Teller transitions in heavy, deformed nuclei

    NASA Astrophysics Data System (ADS)

    Wang, Long-Jun; Sun, Yang; Gao, Zao-Chun; Kiran Ghorui, Surja

    2016-02-01

    Calculations of Gamow-Teller (GT) transition rates for heavy, deformed nuclei, which are useful input for nuclear astrophysics studies, are usually done with the quasiparticle random-phase approximation. We propose a shell-model method by applying the Projected Shell Model (PSM) based on deformed bases. With this method, it is possible to perform a state-by-state calculation for nuclear matrix elements for β-decay and electron-capture in heavy nuclei. Taking β- decay from 168Dy to 168Ho as an example, we show that the known experimental B(GT) from the ground state of the mother nucleus to the low-lying states of the daughter nucleus could be well described. Moreover, strong transitions to high-lying states are predicted to occur, which may considerably enhance the total decay rates once these nuclei are exposed to hot stellar environments.

  2. Shell-model investigation of spectroscopic properties and collectivity in the nuclei beyond 132Sn

    NASA Astrophysics Data System (ADS)

    Naïdja, H.; Nowacki, F.; Bounthong, B.

    2017-09-01

    The recent shell-model results of even-even chains of nuclei: 134,136,138Te, 136,138,140Xe, 138,140,142Ba, 140,142,144Ce, and 142,144,146Nd are explored in this manuscript. The low-lying states energies, E2 and M1 transitions, are investigated using the s a m e effective interaction based on the realistic effective field theory potential N3LO. Significant quadrupole correlations appear in the N =86 isotonic chain, with the signature of nonaxial γ band . This class of collectivity is interpreted within the SU(3) symmetries scheme and confirmed by constrained Hartree-Fock shell-model calculations.

  3. Large-scale shell-model calculations of nuclei around mass 210

    NASA Astrophysics Data System (ADS)

    Teruya, E.; Higashiyama, K.; Yoshinaga, N.

    2016-06-01

    Large-scale shell-model calculations are performed for even-even, odd-mass, and doubly odd nuclei of Pb, Bi, Po, At, Rn, and Fr isotopes in the neutron deficit region (Z ≥82 ,N ≤126 ) assuming 208Pb as a doubly magic core. All the six single-particle orbitals between the magic numbers 82 and 126, namely, 0 h9 /2,1 f7 /2,0 i13 /2,2 p3 /2,1 f5 /2 , and 2 p1 /2 , are considered. For a phenomenological effective two-body interaction, one set of the monopole pairing and quadrupole-quadrupole interactions including the multipole-pairing interactions is adopted for all the nuclei considered. The calculated energies and electromagnetic properties are compared with the experimental data. Furthermore, many isomeric states are analyzed in terms of the shell-model configurations.

  4. The modeling of piezoceramic patch interactions with shells, plates and beams

    NASA Technical Reports Server (NTRS)

    Banks, H. T.; Smith, R. C.

    1992-01-01

    General models describing the interactions between a pair of piezoceramic patches and elastic substructures consisting of a cylindrical shell, plate and beam are presented. In each case, the manner in which the patch loads enter both the strong and weak forms of the time-dependent structural equations of motion is described. Through force and moment balancing, these loads are then determined in terms of material properties of the patch and substructure (thickness, elastic properties, Poisson ratios), the geometry of the patch placement, and the voltages into the patches. In the case of the shell, the coupling between banding and inplane deformations, which is due to the curvature, is retained. These models are sufficiently general to allow for potentially different patch voltages which implies that they can be suitably employed when using piezoceramic patches for controlling system dynamics when both extensional and bending vibrations are present.

  5. A new analytical model for vibration of a cylindrical shell and cardboard liner with focus on interfacial distributed damping

    NASA Astrophysics Data System (ADS)

    Plattenburg, Joseph; Dreyer, Jason T.; Singh, Rajendra

    2016-06-01

    This paper proposes a new analytical model for a thin cylindrical shell that utilizes a homogeneous cardboard liner to increase modal damping. Such cardboard liners are frequently used as noise and vibration control devices for cylindrical shell-like structures in automotive drive shafts. However, most prior studies on such lined structures have only investigated the associated damping mechanisms in an empirical manner. Only finite element models and experimental methods have been previously used for characterization, whereas no analytical studies have addressed sliding friction interaction at the shell-liner interface. The proposed theory, as an extension of a prior experimental study, uses the Rayleigh-Ritz method and incorporates material structural damping along with frequency-dependent viscous and Coulomb interfacial damping formulations for the shell-liner interaction. Experimental validation of the proposed model, using a thin cylindrical shell with three different cardboard liner thicknesses, is provided to validate the new model, and to characterize the damping parameters. Finally, the model is used to investigate the effect of the liner and the damping parameters on the modal attenuation of the shell vibration, in particular for the higher-order coupled shell modes.

  6. The real optical- and shell-model potentials

    SciTech Connect

    Lawson, R.D.; Chiba, S.; Guenther, P.T.; Smith, A.B.

    1990-01-01

    From fits to neutron scattering data over a wide range of nuclei it is shown that r{sub v}, the reduced radius of the real optical-model potential, decreases with increasing A. The value of the isovector part of the real potential is discussed and a simple argument is given for its magnitude. The dispersion relationship and the method of moments are used to extrapolate the scattering potential to the bound-state regime. The possibility of deducing the spin-orbit strength from the observed single-particle binding energies is discussed. 13 refs., 1 fig., 2 tabs.

  7. Beyond the No Core Shell Model: Extending the NCSM to Heavier Nuclei

    SciTech Connect

    Barrett, Bruce R.

    2011-05-06

    The No Core Shell Model (NCSM) is an ab initio method for calculating the properties of light nuclei, up to about A = 20, in which all A nucleons are treated as being active. It is difficult to go to larger A values due to the rapid grow of the basis spaces required in order to obtain converged results. In this presentation we briefly discuss three new techniques for extending the NCSM to heavier mass nuclei.

  8. Shell model estimate of electric dipole moment in medium and heavy nuclei

    SciTech Connect

    Yoshinaga, Naotaka; Higashiyama, Koji

    2011-05-06

    The nuclear electric dipole moment (EDM) and the nuclear Schiff moment for the lowest 1/2{sup +} state of {sup 129}Xe are investigated in terms of the nuclear shell model. We estimate the upper limit for the EDM of neutral {sup 129}Xe atom using the Schiff moment. We also estimate the upper limit of the nuclear EDM, which may be directly measured through ionic atoms.

  9. Modeling of Sound Transmission through Shell Structures with Turbulent Boundary Layer Excitation

    NASA Technical Reports Server (NTRS)

    Tang, Yvette Y.; Silcox, Richard J.; Robinson, Jay H.

    1996-01-01

    The turbulent boundary layer (TBL) pressure field is an important source of cabin noise during cruise of high subsonic and supersonic commercial aircraft. The broadband character of this excitation field results in an interior noise spectrum that dominates the overall sound pressure level (SPL) and speech interference metrics in the forward and midcabins of many aircraft. In the authors' previous study, sound transmission through an aircraft fuselage, modeled by two concentric cylindrical sandwich shells and excited by a TBL statistical model was investigated analytically. An assessment of point and global structural vibration levels and resulting interior noise levels was obtained for different TBL models, flight conditions and fuselage structural designs. However, due to the complication of the shell structure, the important noise transmission mechanisms were difficult to discern. Previous experience has demonstrated that a fundamental understanding of the range of modes (or wavenumbers) generated by the TBL source both in the structure and the acoustic cavity is key to the development of both active and passive control technologies. In an initial effort to provide this insight, the objective of this paper is to develop an analytical model of sound transmission through a simple unstiffened cylindrical aluminum shell excited by a TBL pressure field. The description of the turbulent pressure field is based on the Corcos formulation for the cross-spectral density (CSD) of the pressure fluctuations. The coupled shell and interior and exterior acoustic equations are solved for the structural displacement and the interior acoustic response using a Galerkin approach to obtain analytical solutions. Specifically, this study compares the real part of the normalized CSD of the TBL excitation field, the structural displacement and the interior acoustic field. Further the modal compositions of the structural and cavity response are examined and some inference of the dominant

  10. Sputtering yield calculations using an interatomic potential with the shell effect and a new local model

    NASA Astrophysics Data System (ADS)

    Li, Zhijie; Kenmotsu, Takahiro; Kawamura, Takaichi; Ono, Tadayoshi; Yamamura, Yasunori

    1999-06-01

    In order to test the availabilities of the theoretical screening lengths with the shell effect and the new local electronic-energy-loss model proposed by Yamamura et al., the sputtering yields due to various ion impacts on monatomic materials were calculated with the ACAT code. It is found that the sputtering yields calculated by the Molière potential with the present theoretical screening lengths are in reasonable good agreement with experimental data and Yamamura's empirical sputtering formula without free parameters.

  11. Conservation laws in the 1 f7 /2 shell model of 48Cr

    NASA Astrophysics Data System (ADS)

    Neergârd, K.

    2015-04-01

    Conservation laws in the 1 f7 /2 shell model of 48Cr found in numeric studies by Escuderos, Zamick, and Bayman [arXiv:nucl-th/0506050 (2005)] and me [K. Neergård, Phys. Rev. C 90, 014318 (2014) 10.1103/PhysRevC.90.014318] are explained by symmetry under particle-hole conjugation and the structure of the irreps of the symplectic group Sp(4). A generalization is discussed.

  12. Application of the Shell/3D Modeling Technique for the Analysis of Skin-Stiffener Debond Specimens

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; O'Brien, T. Kevin; Minguet, Pierre J.

    2002-01-01

    The application of a shell/3D modeling technique for the simulation of skin/stringer debond in a specimen subjected to three-point bending is demonstrated. The global structure was modeled with shell elements. A local three-dimensional model, extending to about three specimen thicknesses on either side of the delamination front was used to capture the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from shell/13D simulations were in good agreement with results obtained from full solid models. The good correlations of the results demonstrated the effectiveness of the shell/3D modeling technique for the investigation of skin/stiffener separation due to delamination in the adherents.

  13. Modeling of K-Shell Al and Mg and L-Shell Mo Radiation from Compact Cylindrical Wire Array Plasmas Produced on the 1 MA UNR Zebra Generator

    SciTech Connect

    Yilmaz, M. F.; Safronova, A. S.; Esaulov, A. A.; Kantsyrev, V. L.; Quart, N. D.; Williamson, K. M.; Shrestha, I.

    2009-01-21

    K-shell radiation of Al and Mg and L-shell radiation of Mo from implosions of compact cylindrical wire arrays (CCWA) on the 1 MA UNR Zebra generator was studied. Specifically, radiation from implosions of 3 and 6 mm CCWA with (16-24) Al-5052 (95% Al and 5% Mg) and Al-5052 (97.5% Al and 2.5% Mg) and Mo wires was analyzed using the full set of diagnostics: PCD and current signals, and X-ray pinhole images and spectra. Previously developed non-LTE models were applied to model spatially resolved time integrated as well as time-gated spatially integrated spectra from Al, Mg, and Mo plasmas. Derived electron temperature and density spatial gradients as well as percentage of radiating mass were studied and compared. In addition, the novel Wire Dynamics Model (WDM) was used to analyze the implosion dynamics of compact wire array loads.

  14. D Models Comparison of Complex Shell in Underwater and Dry Environments

    NASA Astrophysics Data System (ADS)

    Troisi, S.; Del Pizzo, S.; Gaglione, S.; Miccio, A.; Testa, R. L.

    2015-04-01

    In marine biology the shape, morphology, texture and dimensions of the shells and organisms like sponges and gorgonians are very important parameters. For example, a particular type of gorgonian grows every year only few millimeters; this estimation was conducted without any measurement instrument but it has been provided after successive observational studies, because this organism is very fragile: the contact could compromise its structure and outliving. Non-contact measurement system has to be used to preserve such organisms: the photogrammetry is a method capable to assure high accuracy without contact. Nevertheless, the achievement of a 3D photogrammetric model of complex object (as gorgonians or particular shells) is a challenge in normal environments, either with metric camera or with consumer camera. Indeed, the successful of automatic target-less image orientation and the image matching algorithms is strictly correlated to the object texture properties and of camera calibration quality as well. In the underwater scenario, the environment conditions strongly influence the results quality; in particular, water's turbidity, the presence of suspension, flare and other optical aberrations decrease the image quality reducing the accuracy and increasing the noise on the 3D model. Furthermore, seawater density variability influences its refraction index and consequently the interior orientation camera parameters. For this reason, the camera calibration has to be performed in the same survey conditions. In this paper, a comparison between the 3D models of a Charonia Tritonis shell are carried out through surveys conducted both in dry and underwater environments.

  15. Nonlocal shear deformable shell model for postbuckling of axially compressed microtubules embedded in an elastic medium.

    PubMed

    Shen, Hui-Shen

    2010-06-01

    Buckling and postbuckling analysis is presented for axially compressed microtubules (MTs) embedded in an elastic matrix of cytoplasm. The microtubule is modeled as a nonlocal shear deformable cylindrical shell which contains small scale effects. The surrounding elastic medium is modeled as a Pasternak foundation. The governing equations are based on higher order shear deformation shell theory with a von Kármán-Donnell-type of kinematic nonlinearity and include the extension-twist and flexural-twist couplings. The thermal effects are also included and the material properties are assumed to be temperature-dependent. The small scale parameter e (0) a is estimated by matching the buckling load from their vibrational behavior of MTs with the numerical results obtained from the nonlocal shear deformable shell model. The numerical results show that buckling load and postbuckling behavior of MTs are very sensitive to the small scale parameter e (0) a. The results reveal that the MTs under axial compressive loading condition have an unstable postbuckling path, and the lateral constraint has a significant effect on the postbuckling response of a microtubule when the foundation stiffness is sufficiently large.

  16. Kinetic-energy operator in the effective shell-model interaction

    SciTech Connect

    Jaqua, L. ); Hasan, M.A. ); Vary, J.P. ); Barrett, B.R. )

    1992-12-01

    Differences in the Hartree-Fock and effective shell-model interaction arising from alternative treatments of the kinetic-energy operator in finite nuclear many-body problems are described. The Hartree-Fock single-particle energies and their relationship to experimental removal energies depend sensitively on whether or not the center-of-mass kinetic energy is retained in the nuclear Hamiltonian. Large effects in particle-hole energies are obtained which have important consequences for effective shell-model Hamiltonians. If the center-of-mass contribution of the kinetic-energy operator is removed from the Hamiltonian, substantial effects appear in a simple example of the shell-model spectra of [sup 16]O and [sup 17]O treated as four and five valence nucleons, respectively, outside a [sup 12]C core. The contributions to the energy coming from the valence, relative kinetic-energy operator push the energy spectra of both nuclei up by about 1 MeV relative to their ground states.

  17. Reduced-order models for nonlinear vibrations of cylindrical shells via the proper orthogonal decomposition method

    NASA Astrophysics Data System (ADS)

    Amabili, M.; Sarkar, A.; Païdoussis, M. P.

    2003-09-01

    The nonlinear (large-amplitude) response of perfect and imperfect, simply supported circular cylindrical shells to harmonic excitation in the spectral neighbourhood of some of their lowest natural frequencies is investigated. The shell is assumed to be completely filled with an incompressible and inviscid fluid at rest. Donnell's nonlinear shallow-shell theory is used, and the solution is obtained by the Galerkin method. The proper orthogonal decomposition (POD) method is used to extract proper orthogonal modes that describe the system behaviour from time-series response data. These time series have been obtained via the conventional Galerkin approach (using normal modes as a projection basis) with an accurate model involving 16 degrees of freedom, validated in previous studies. The POD method, in conjunction with the Galerkin approach, permits a lower-dimensional model as compared to those obtainable via the conventional Galerkin approach. Different proper orthogonal modes computed from time series at different excitation frequencies are used and solutions are compared. Some of these sets of modes are capable of describing the system behaviour over the whole frequency range around the fundamental resonance with good accuracy and with only 3 degrees of freedom. They allow a drastic reduction in the computational effort, as compared to using the 16 degree-of-freedom model necessary when the conventional Galerkin approach is used.

  18. Statistical Properties of Nuclei by the Shell Model Monte Carlo Method

    SciTech Connect

    Alhassid, Y.

    2005-05-24

    We use quantum Monte Carlo methods in the framework of the interacting nuclear shell model to calculate the statistical properties of nuclei at finite temperature and/or excitation energies. With this approach we can carry out realistic calculations in much larger configuration spaces than are possible by conventional methods. A major application of the methods has been the microscopic calculation of nuclear partition functions and level densities, taking into account both correlations and shell effects. Our results for nuclei in the mass region A {approx} 50 - 70 are in remarkably good agreement with experimental level densities without any adjustable parameters and are an improvement over empirical formulas. We have recently extended the shell model theory of level statistics to higher temperatures, including continuum effects. We have also constructed simple statistical models to explain the dependence of the microscopically calculated level densities on good quantum numbers such as parity. Thermal signatures of pairing correlations are identified through odd-even effects in the heat capacity.

  19. Spherical-shell model for the van der Waals coefficients between fullerenes and/or nearly spherical nanoclusters.

    PubMed

    Perdew, John P; Tao, Jianmin; Hao, Pan; Ruzsinszky, Adrienn; Csonka, Gábor I; Pitarke, J M

    2012-10-24

    Fullerene molecules such as C(60) are large nearly spherical shells of carbon atoms. Pairs of such molecules have a strong long-range van der Waals attraction that can produce scattering or binding into molecular crystals. A simplified classical-electrodynamics model for a fullerene is a spherical metal shell, with uniform electron density confined between outer and inner radii (just as a simplified model for a nearly spherical metallic nanocluster is a solid metal sphere or filled shell). For the spherical-shell model, the exact dynamic multipole polarizabilities are all known analytically. From them, we can derive exact analytic expressions for the van der Waals coefficients of all orders between two spherical metal shells. The shells can be identical or different, and hollow or filled. To connect the model to a real fullerene, we input the static dipole polarizability, valence electron number and estimated shell thickness t of the real molecule. Our prediction for the leading van der Waals coefficient C(6) between two C(60) molecules ((1.30 ± 0.22) × 10(5) hartree bohr(6)) agrees well with a prediction for the real molecule from time-dependent density functional theory. Our prediction is remarkably insensitive to t. Future work might include the prediction of higher-order (e.g. C(8) and C(10)) coefficients for C(60), applications to other fullerenes or nearly spherical metal clusters, etc. We also make general observations about the van der Waals coefficients.

  20. Geodynamic Modeling of Planetary Ice-Oceans: Evolution of Ice-Shell Thickness in Convecting Two-Phase Systems

    NASA Astrophysics Data System (ADS)

    Allu Peddinti, D.; McNamara, A. K.

    2016-12-01

    Along with the newly unveiled icy surface of Pluto, several icy planetary bodies show indications of an active surface perhaps underlain by liquid oceans of some size. This augments the interest to explore the evolution of an ice-ocean system and its surface implications. The geologically young surface of the Jovian moon Europa lends much speculation to variations in ice-shell thickness over time. Along with the observed surface features, it suggests the possibility of episodic convection and conduction within the ice-shell as it evolved. What factors would control the growth of the ice-shell as it forms? If and how would those factors determine the thickness of the ice-shell and consequently the heat transfer? Would parameters such as tidal heating or initial temperature affect how the ice-shell grows and to what significance? We perform numerical experiments using geodynamical models of the two-phase ice-water system to study the evolution of planetary ice-oceans such as that of Europa. The models evolve self-consistently from an initial liquid ocean as it cools with time. The effects of presence, absence and magnitude of tidal heating on ice-shell thickness are studied in different models. The vigor of convection changes as the ice-shell continues to thicken. Initial modeling results track changes in the growth rate of the ice-shell as the vigor of the convection changes. The magnitude and temporal location of the rate change varies with different properties of tidal heating and values of initial temperature. A comparative study of models is presented to demonstrate how as the ice-shell is forming, its growth rate and convection are affected by processes such as tidal heating.

  1. STATIC ANALYSIS OF SHELLS OF REVOLUTION USING DOUBLY-CURVED QUADRILATERAL ELEMENTS DERIVED FROM ALTERNATE VARIATIONAL MODELS.

    DTIC Science & Technology

    geometrical shape of the finite element in both of the models is a doubly-curved quadrilateral element whose edge curves are the lines-of-curvature coordinates employed to define the shell midsurface . (Author)

  2. Calculation of thin shells with a small number of unidirectional layers by using 3D deformation models

    NASA Astrophysics Data System (ADS)

    Akhundov, V. M.

    2012-07-01

    A method for calculating thin shells with one or more unidirectional layers is developed on the basis of 3D deformation models of fiber-reinforced materials at small and large deformations. Contrary to the shell model, the 3D model of shells, which is based on 3D governing equations, allows one to solve the problems on contact interaction of shells between themselves or with other bodies. The use of an applied theory of fibrous materials as a 3D deformation model is considered. The validity of the method is confirmed by using the applied theory in solving the problem on blowing of a rubber-cord diaphragm of toroidal form used in the tire production technology.

  3. A Multi Material Shell Model for the Mechanical Analysis of Triaxial Braided Composites

    NASA Astrophysics Data System (ADS)

    García-Carpintero, A.; Herráez, M.; Xu, J.; S. Lopes, C.; González, C.

    2017-03-01

    An efficient numerical methodology based on a multi material shell (MMS) approximation is proposed in this paper for the analysis of the mechanical behavior of triaxial braided composites subjected to tensile loads. The model is based on a geometrical description of the textile architecture of the material at the Gauss point level of a standard shell including the corresponding yarn geometrical parameters. The mechanical properties at the yarn level were determined from values reported in the literature or by means of micromechanical homogenization of unidirectional fiber reinforced composites. Simulations were carried out on single representative unit cell subjected to periodic boundary conditions and on multiple cell representative volume elements corresponding to the size of the standard width of a tensile specimen. The numerical results were compared with the stress-strain curves obtained experimentally as well as the damage mechanisms progression during deformation captured using radiographs performed on interrupted tests.

  4. Interrelations between the pairing and quadrupole interactions in the microscopic Shell Model

    NASA Astrophysics Data System (ADS)

    Drumev, K. P.; Georgieva, A. I.

    2016-01-01

    We explore the dynamical symmetries of the shell model number conserving algebra, which define three types of pairing and quadrupole phases, with the aim to obtain the prevailing phase or phase transition for the real nuclear systems in a single shell. This is achieved by establishing a correspondence between each of the pairing bases with the Elliott's SU(3) basis that describes collective rotation of nuclear systems. This allows for a complete classification of the basis states of different number of particles in all the limiting cases. The probability distribution of the SU(3) basis states within theirs corresponding pairing states is also obtained. The relative strengths of dynamically symmetric quadrupole-quadrupole interaction in respect to the isoscalar, isovector and total pairing interactions define a control parameter, which estimates the importance of each term of the Hamiltonian in the correct reproduction of the experimental data for the considered nuclei.

  5. The KATE shell: An implementation of model-based control, monitor and diagnosis

    NASA Technical Reports Server (NTRS)

    Cornell, Matthew

    1987-01-01

    The conventional control and monitor software currently used by the Space Center for Space Shuttle processing has many limitations such as high maintenance costs, limited diagnostic capabilities and simulation support. These limitations have caused the development of a knowledge based (or model based) shell to generically control and monitor electro-mechanical systems. The knowledge base describes the system's structure and function and is used by a software shell to do real time constraints checking, low level control of components, diagnosis of detected faults, sensor validation, automatic generation of schematic diagrams and automatic recovery from failures. This approach is more versatile and more powerful than the conventional hard coded approach and offers many advantages over it, although, for systems which require high speed reaction times or aren't well understood, knowledge based control and monitor systems may not be appropriate.

  6. Shell model structure of 43S and 44S re-examined

    NASA Astrophysics Data System (ADS)

    Chevrier, R.; Gaudefroy, L.

    2014-05-01

    We report on a shell model study of 43S and 44S. Quadrupole rotational invariants proposed by Kumar about 40 years ago allow us to estimate axial and triaxial deformation parameters from shell model calculations. Present results, showing the large impact of the triaxial degree of freedom on the low-lying structure of studied sulfur isotopes, resolve several inconsistencies in previous interpretations of experimental data. In 43S the prolate ground-state band coexists with a triaxial band built on the 7/21- isomer and an excited prolate structure built on the Kπ = 5/2- deformed orbit originating from the νf7/2 shell. In 44S coexistence of two deformed bands built on mixed 01,2+ states is reported as well as a pseudo-γ-band and an excited triaxial structure for which a particle-hole neutron excitation couples to proton collectivity. Present results are in good global agreement with recent antisymmetrized molecular dynamics and beyond-mean-field calculations.

  7. The circumstellar structure of the Be shell star φ Persei. II. Modeling

    NASA Astrophysics Data System (ADS)

    Hummel, W.; Štefl, S.

    2001-03-01

    We model Fe Ii 5317 emission lines and phase resolved He I 6678 and 5876 emission lines of the bright B2e&sdO shell binary phi Per to find the size and shape of the excitation region inside the circumprimary disk. We find the Fe Ii 5317 emission to originate within 9 stellar radii in an axisymmetric disk around the primary. Orbital phase variations of He I 6678 are fit in terms of a disk sector with disk radius of 10 stellar radii and opening angle of =~ 120degr facing the secondary. This region can be alternatively described by an intersection of a sphere around the secondary and the circumprimary disk with a penetration depth of about 7 R_*. Similar fit values are found for He I 5876. The enigmatic orbital phase precedence of shell occurrence in the He I emission features is discussed. We favor a model in which the inner He I shell is deformed because of differential rotation in combination with a finite recombination time. Based on observations collected at the Ondřejov Observatory (of the Academy of Sciences of the Czech Republic), the German-Spanish Astronomical Center (DSAZ) -- Calar Alto (operated by the Max-Plank-Institut für Astronomie Heidelberg jointly with the Spanish National Commission for Astronomy) and Observatoire de Haute-Provence (OHP; CNRS, France).

  8. Buckling and postbuckling of radially loaded microtubules by nonlocal shear deformable shell model.

    PubMed

    Shen, Hui-Shen

    2010-05-21

    This paper presents an investigation on the buckling and postbuckling of microtubules (MTs) subjected to a uniform external radial pressure in thermal environments. The microtubule is modeled as a nonlocal shear deformable cylindrical shell which contains small scale effects. The governing equations are based on higher order shear deformation shell theory with a von Kármán-Donnell-type of kinematic nonlinearity and include the extension-twist and flexural-twist couplings. The thermal effects are also included and the material properties are assumed to be temperature-dependent. A singular perturbation technique is employed to determine the buckling pressure and postbuckling equilibrium paths. The small scale parameter e(0)a is estimated by matching the buckling pressure of MTs measured from the experiments with the numerical results obtained from the nonlocal shear deformable shell model. The numerical results show that buckling pressure and postbuckling behavior of MTs are very sensitive to the small scale parameter e(0)a. The results reveal that the 13_3 microtubule has a stable postbuckling path, whereas the 13_2 microtubule has an unstable postbuckling behavior due to the presence of skew angles.

  9. HR Del REMNANT ANATOMY USING TWO-DIMENSIONAL SPECTRAL DATA AND THREE-DIMENSIONAL PHOTOIONIZATION SHELL MODELS

    SciTech Connect

    Moraes, Manoel; Diaz, Marcos E-mail: marcos@astro.iag.usp.br

    2009-12-15

    The HR Del nova remnant was observed with the IFU-GMOS at Gemini North. The spatially resolved spectral data cube was used in the kinematic, morphological, and abundance analysis of the ejecta. The line maps show a very clumpy shell with two main symmetric structures. The first one is the outer part of the shell seen in H{alpha}, which forms two rings projected in the sky plane. These ring structures correspond to a closed hourglass shape, first proposed by Harman and O'Brien. The equatorial emission enhancement is caused by the superimposed hourglass structures in the line of sight. The second structure seen only in the [O III] and [N II] maps is located along the polar directions inside the hourglass structure. Abundance gradients between the polar caps and equatorial region were not found. However, the outer part of the shell seems to be less abundant in oxygen and nitrogen than the inner regions. Detailed 2.5-dimensional photoionization modeling of the three-dimensional shell was performed using the mass distribution inferred from the observations and the presence of mass clumps. The resulting model grids are used to constrain the physical properties of the shell as well as the central ionizing source. A sequence of three-dimensional clumpy models including a disk-shaped ionization source is able to reproduce the ionization gradients between polar and equatorial regions of the shell. Differences between shell axial ratios in different lines can also be explained by aspherical illumination. A total shell mass of 9 x 10{sup -4} M {sub sun} is derived from these models. We estimate that 50%-70% of the shell mass is contained in neutral clumps with density contrast up to a factor of 30.

  10. The geometry of morphospaces: lessons from the classic Raup shell coiling model.

    PubMed

    Gerber, Sylvain

    2017-05-01

    Morphospaces are spatial depictions of morphological variation among biological forms that have become an integral part of the analytical toolkit of evolutionary biologists and palaeobiologists. Nevertheless, the term morphospace brings together a great variety of spaces with different geometries. In particular, many morphospaces lack the metric properties underlying the notions of distance and direction, which are, however, central to the analysis of morphological differences and evolutionary transitions. The problem is illustrated here with the iconic morphospace of coiled shells implemented by Raup 50 years ago. The model, which allows the description of shell coiling geometry of various invertebrate taxa, is a seminal reference in theoretical morphology and morphospace theory, but also a morphometric framework frequently used in empirical studies, particularly of ammonoids. Because of the definition of its underlying parameters, Raup's morphospace does not possess a Euclidean structure and a meaningful interpretation of the spread and spacing of taxa within it is not guaranteed. Focusing on the region of the morphospace occupied by most ammonoids, I detail a landmark-based morphospace circumventing this problem and built from the same input measurements required for the calculation of Raup's parameters. From simulations and a reanalysis of Palaeozoic ammonoid shell disparity, the properties of these morphospaces are compared and their algebraic and geometric relationships highlighted. While Raup's model remains a valuable tool for describing ammonoid shells and relating their shapes to the coiling process, it is demonstrated that quantitative analyses of morphological patterns should be carried out within the landmark-based framework. Beyond this specific case, the increasing use and diversity of morphospaces in evolutionary morphology call for caution when interpreting patterns and comparing results drawn from different types of morphospaces. © 2016

  11. PWR plant transient analyses using TRAC-PF1

    SciTech Connect

    Ireland, J.R.; Boyack, B.E.

    1984-01-01

    This paper describes some of the pressurized water reactor (PWR) transient analyses performed at Los Alamos for the US Nuclear Regulatory Commission using the Transient Reactor Analysis Code (TRAC-PF1). Many of the transient analyses performed directly address current PWR safety issues. Included in this paper are examples of two safety issues addressed by TRAC-PF1. These examples are pressurized thermal shock (PTS) and feed-and-bleed cooling for Oconee-1. The calculations performed were plant specific in that details of both the primary and secondary sides were modeled in addition to models of the plant integrated control systems. The results of these analyses show that for these two transients, the reactor cores remained covered and cooled at all times posing no real threat to the reactor system nor to the public.

  12. CpG 7909: PF 3512676, PF-3512676.

    PubMed

    2006-01-01

    CpG 7909 [PF-3512676] is an immunomodulating synthetic oligonucleotide designed to specifically agonise the Toll-like receptor 9 (TLR9). It is being developed for the treatment of cancer [ProMune] as a monotherapy and in combination with chemotherapeutic agents, and it is also under development as an adjuvant [VaxImmune] for vaccines against cancer and infectious diseases. CpG 7909, acting through the TLR9 receptor present in B cells and plasmacytoid dendritic cells, stimulates human B-cell proliferation, enhances antigen-specific antibody production and induces interferon-alpha production, interleukin-10 secretion and natural killer cell activity. Coley Pharmaceutical Group originally developed CpG 7909 using its CpG DNA technology. In March 2005, Coley granted Pfizer an exclusive global license to develop and commercialise CPG 7909 [ProMune] for the treatment, control and prevention of multiple cancer indications. Coley licensed CpG 7909 [VaxImmune] to Chiron Corporation for adjuvant use with Chiron's prophylactic vaccine candidates against infectious diseases in December 2003. Chiron was acquired by and merged into Novartis in April 2006. In 2002, GlaxoSmithKline (GSK) was granted a worldwide, non-exclusive licence to Coley's CpG immunostimulatory oligonucleotides, including CpG 7909 [VaxImmune], for their use as adjuvants for cancer vaccines. In 2000, Coley entered into a co-exclusive licensing agreement with GSK for the development of therapeutic and prophylactic vaccines against infectious diseases. This licensing agreement included CpG 7909 [VaxImmune] and other CpG-based immunostimulatory oligonucleotides. In September 2004, Coley Pharmaceuticals was awarded a 16.9 million US dollars, 5-year contract from the National Institute of Allergy and Infectious Diseases (NIAID), one of the National Institutes of Health (NIH), to support the development of novel immune-activating drugs for defense against bioterror agents. This contract will be used to expand Coley

  13. Structure models: From shell model to ab initio methods. A brief introduction to microscopic theories for exotic nuclei

    NASA Astrophysics Data System (ADS)

    Bacca, Sonia

    2016-04-01

    A brief review of models to describe nuclear structure and reactions properties is presented, starting from the historical shell model picture and encompassing modern ab initio approaches. A selection of recent theoretical results on observables for exotic light and medium-mass nuclei is shown. Emphasis is given to the comparison with experiment and to what can be learned about three-body forces and continuum properties.

  14. Repeatability vs. multiple-trait models to evaluate shell dynamic stiffness for layer chickens.

    PubMed

    Wolc, A; Arango, J; Settar, P; O'Sullivan, N P; Dekkers, J C M

    2017-01-01

    Shell quality is one of the most important traits for improvement in layer chickens. Proper consideration of repeated records can increase the accuracy of estimated breeding values and thus genetic improvement of shell quality. The objective of this study was to compare different models for genetic evaluation of the collected data. For this study, 81,646 dynamic stiffness records on 21,321 brown egg layers and 93,748 records on 24,678 white egg layers from 4 generations were analyzed. Across generations, data were collected at 2 to 4 ages (at approximately 26, 42, 65, and 86 wk), with repeated records at each age. Seven models were compared, including 5 repeatability models with increasing complexity, a random regression model, and a multitrait model. The models were compared using Akaike Information Criteria with significance testing of nested models with a Log Likelihood Ratio test. Estimates of heritability were 0.31-0.36 for the brown line and 0.23-0.26 for the white line, but repeatability was higher for the model with age-specific permanent environment effects (0.59 for both lines) than for the model with an overall permanent environmental effects (0.47 for the brown and 0.41 for the white line). The model that allowed for permanent environmental effect within age and heterogeneous residual variance between ages resulted in improved fit compared to the traditional model that fits single permanent environment and residual effects, but was inferior in fit and predictive ability to the full multiple-trait model. The random regression model had better fit to the data than repeatability models but slightly worse than the multiple-trait model. For traits with repeated records at different ages, repeatability within and across ages as well as genetic correlations should be considered while choosing the number of records collected per individual as well as the model for genetic evaluation.

  15. Rate theory of solvent exchange and kinetics of Li(+) - BF4 (-)/PF6 (-) ion pairs in acetonitrile.

    PubMed

    Dang, Liem X; Chang, Tsun-Mei

    2016-09-07

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li(+) and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li(+) in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li(+)-[BF4] and Li(+)-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li(+). We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li(+)-[BF4] and Li(+)-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.

  16. Rate theory of solvent exchange and kinetics of Li+ - BF4-/PF6- ion pairs in acetonitrile

    NASA Astrophysics Data System (ADS)

    Dang, Liem X.; Chang, Tsun-Mei

    2016-09-01

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li+ and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li+ in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li+-[BF4] and Li+-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li+. We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li+-[BF4] and Li+-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.

  17. Application of line-spring/shell model to surface-cracked pipes and elbows

    SciTech Connect

    Mohan, R.

    1996-12-01

    The line-spring/shell model proposed by Rice and Levy (1972), and further modified by Parks and co-workers (1981, 1982, 1995) provides an attractive and inexpensive alternative to analyzing surface-cracked structures. This model idealizes the complex three-dimensional surface crack problem in a plate- or shell-like structure as a more tractable two-dimensional problem. Though used in some previous studies, this model has largely been ignored in the study of surface-cracked nuclear piping components. Owing to the lack of detailed investigations, it is generally believed that the predictions of the line-spring model is far less accurate. While it is true that the line-spring method has some restrictions, it can provide reasonably accurate predictions of important fracture parameters of cracked components in the domain of its applicability. Through some detailed studies of surface-cracked pipes and elbows, the predictive nature of the line-spring model is demonstrated by comparing its predictions with that of three-dimensional finite element model as well as with the experimental measurements. It is hoped that the results shown in this paper invalidates the criticisms and reestablishes the usefulness and reasonable accuracy of the line-spring model, within its domain of applicability, in the analyses of surface-cracked structures.

  18. Plasmodium falciparum Plasmepsin V (PfPMV): Insights into recombinant expression, substrate specificity and active site structure.

    PubMed

    Boonyalai, Nonlawat; Sittikul, Pichamon; Yuvaniyama, Jirundon

    2015-05-01

    Plasmepsin V from Plasmodium falciparum (PfPMV) is responsible for the cleavage of the Plasmodium export element (PEXEL) motif at the N-terminus of several hundreds of the exported proteins. PfPMV is necessary for parasite viability and has become a novel promising target for antimalarial therapy. The first recombinant expression of soluble, active PfPMV as thioredoxin fusion proteins is reported herein. Two truncated forms of PfPMV were fused to thioredoxin (Trx) to generate Trx-PfPMVp37 and Trx-PfPMVm84. The fusion proteins were successfully purified using Ni(2+) affinity chromatography in combination with ATP treatment to eliminate Escherichia coli HSP60 contaminant. Trx-PfPMVm84 could hydrolyze the PEXEL-containing peptides more efficiently than Trx-PfPMVp37. Interestingly, both Trx-PfPMVs preferred to cleave PfEMP2 peptide over HRPII peptide. The replacement of Ser with Val or Glu at P1' position created a substrate with 75% reduction in the enzyme activity, whereas the substitution of Ile with Lys or Glu at P2 position reduced the cleavage efficiency by 30%. The activity of Trx-PfPMVm84 was inhibited by PMSF and nelfinavir but not by pepstatin A. After the removal of Trx domain, activities of both enzymes toward PfEMP2 and HRPII peptides were fitted to the Michaelis-Menten model to determine kinetic parameters. The Km values toward both peptides were apparently much lower than the previously reported data although with similar kcat values. Along with an improved PfPMV preparation protocol, these findings have provided insights into its substrate specificity at P2 and P1' positions as well as interactions among the enzyme, substrates, and inhibitors. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Discrete-Layer Piezoelectric Plate and Shell Models for Active Tip-Clearance Control

    NASA Technical Reports Server (NTRS)

    Heyliger, P. R.; Ramirez, G.; Pei, K. C.

    1994-01-01

    The objectives of this work were to develop computational tools for the analysis of active-sensory composite structures with added or embedded piezoelectric layers. The targeted application for this class of smart composite laminates and the analytical development is the accomplishment of active tip-clearance control in turbomachinery components. Two distinct theories and analytical models were developed and explored under this contract: (1) a discrete-layer plate theory and corresponding computational models, and (2) a three dimensional general discrete-layer element generated in curvilinear coordinates for modeling laminated composite piezoelectric shells. Both models were developed from the complete electromechanical constitutive relations of piezoelectric materials, and incorporate both displacements and potentials as state variables. This report describes the development and results of these models. The discrete-layer theories imply that the displacement field and electrostatic potential through-the-thickness of the laminate are described over an individual layer rather than as a smeared function over the thickness of the entire plate or shell thickness. This is especially crucial for composites with embedded piezoelectric layers, as the actuating and sensing elements within these layers are poorly represented by effective or smeared properties. Linear Lagrange interpolation polynomials were used to describe the through-thickness laminate behavior. Both analytic and finite element approximations were used in the plane or surface of the structure. In this context, theoretical developments are presented for the discrete-layer plate theory, the discrete-layer shell theory, and the formulation of an exact solution for simply-supported piezoelectric plates. Finally, evaluations and results from a number of separate examples are presented for the static and dynamic analysis of the plate geometry. Comparisons between the different approaches are provided when

  20. Nanoflares and MHD turbulence in coronal loops: a hybrid shell model.

    PubMed

    Nigro, Giuseppina; Malara, Francesco; Carbone, Vincenzo; Veltri, Pierluigi

    2004-05-14

    A model to describe injection, due to footpoint motions, storage, and dissipation of MHD turbulence in coronal loops, is presented. The model is based on the use of the shell technique in the wave vector space applied to the set of reduced MHD equations. Numerical simulation showed that the energy injected is efficiently stored in the loop where a significant level of magnetic and velocity fluctuations is obtained. Nonlinear interactions among these fluctuations give rise to an energy cascade towards smaller scales where energy is dissipated in an intermittent fashion. The statistical analysis performed on the intermittent dissipative events compares well with all observed properties of nanoflare emission statistics.

  1. Converging sequences in the ab initio no-core shell model

    SciTech Connect

    Forssen, C.; Vary, J. P.; Caurier, E.; Navratil, P.

    2008-02-15

    We demonstrate the existence of multiple converging sequences in the ab initio no-core shell model. By examining the underlying theory of effective operators, we expose the physical foundations for the alternative pathways to convergence. This leads us to propose a revised strategy for evaluating effective interactions for A-body calculations in restricted model spaces. We suggest that this strategy is particularly useful for applications to nuclear processes in which states of both parities are used simultaneously, such as for transition rates. We demonstrate the utility of our strategy with large-scale calculations in light nuclei.

  2. Steady-state temperature distribution in living tissue modeled as cylindrical shells.

    NASA Technical Reports Server (NTRS)

    Shitzer, A.; Chato, J. C.

    1971-01-01

    Closed form, analytical solutions to the problem of steady-state heat transfer in living tissue modeled as cylindrical shells are presented and discussed. These solutions are particularly useful for the study of temperature distributions in the extremities. Metabolic heat generation, conduction, and heat transported by the blood perfusing the tissue are considered in the model. The results demonstrate the important role that the blood stream plays in the transfer of heat inside living tissue. Solutions are also presented for the limiting cases of diminishing blood flow that would occur during vasoconstriction or occlusion of blood by external means.

  3. Onion-shell model for cosmic ray electrons and radio synchrotron emission in supernova remnants

    NASA Technical Reports Server (NTRS)

    Beck, R.; Drury, L. O.; Voelk, H. J.; Bogdan, T. J.

    1985-01-01

    The spectrum of cosmic ray electrons, accelerated in the shock front of a supernova remnant (SNR), is calculated in the test-particle approximation using an onion-shell model. Particle diffusion within the evolving remnant is explicity taken into account. The particle spectrum becomes steeper with increasing radius as well as SNR age. Simple models of the magnetic field distribution allow a prediction of the intensity and spectrum of radio synchrotron emission and their radial variation. The agreement with existing observations is satisfactory in several SNR's but fails in other cases. Radiative cooling may be an important effect, especially in SNR's exploding in a dense interstellar medium.

  4. Atomically thin spherical shell-shaped superscatterers based on a Bohr model.

    PubMed

    Li, Rujiang; Lin, Xiao; Lin, Shisheng; Liu, Xu; Chen, Hongsheng

    2015-12-18

    Graphene monolayers can be used for atomically thin three-dimensional shell-shaped superscatterer designs. Due to the excitation of the first-order resonance of transverse magnetic (TM) graphene plasmons, the scattering cross section of the bare subwavelength dielectric particle is enhanced significantly by five orders of magnitude. The superscattering phenomenon can be intuitively understood and interpreted with a Bohr model. In addition, based on the analysis of the Bohr model, it is shown that contrary to the TM case, superscattering is hard to achieve by exciting the resonance of transverse electric (TE) graphene plasmons due to their poor field confinements.

  5. Atomically thin spherical shell-shaped superscatterers based on a Bohr model

    NASA Astrophysics Data System (ADS)

    Li, Rujiang; Lin, Xiao; Lin, Shisheng; Liu, Xu; Chen, Hongsheng

    2015-12-01

    Graphene monolayers can be used for atomically thin three-dimensional shell-shaped superscatterer designs. Due to the excitation of the first-order resonance of transverse magnetic (TM) graphene plasmons, the scattering cross section of the bare subwavelength dielectric particle is enhanced significantly by five orders of magnitude. The superscattering phenomenon can be intuitively understood and interpreted with a Bohr model. In addition, based on the analysis of the Bohr model, it is shown that contrary to the TM case, superscattering is hard to achieve by exciting the resonance of transverse electric (TE) graphene plasmons due to their poor field confinements.

  6. Steady-state temperature distribution in living tissue modeled as cylindrical shells.

    NASA Technical Reports Server (NTRS)

    Shitzer, A.; Chato, J. C.

    1971-01-01

    Closed form, analytical solutions to the problem of steady-state heat transfer in living tissue modeled as cylindrical shells are presented and discussed. These solutions are particularly useful for the study of temperature distributions in the extremities. Metabolic heat generation, conduction, and heat transported by the blood perfusing the tissue are considered in the model. The results demonstrate the important role that the blood stream plays in the transfer of heat inside living tissue. Solutions are also presented for the limiting cases of diminishing blood flow that would occur during vasoconstriction or occlusion of blood by external means.

  7. Effects of CO2 enrichment on cockle shell growth interpreted with a Dynamic Energy Budget model

    NASA Astrophysics Data System (ADS)

    Klok, Chris; Wijsman, Jeroen W. M.; Kaag, Klaas; Foekema, Edwin

    2014-11-01

    The increase in human induced atmospheric CO2 level leads to an increase in ocean acidification (OA). Mitigation of this increase by storage of CO2 in abandoned marine oil and gas reservoirs is seen as an interesting cost effective solution. However, this involves a risk of CO2 loss causing localised reductions in seawater pH. In this paper we report on the effects of CO2 enhancement on the growth of the bivalve Cerastoderma edule in mesocosms. The experiments show significant reductions in shell length, shell weight and cockle flesh dry weight at increased CO2 level suggesting both direct (shell erosion) and indirect (metabolic) effects. Indirect effects were analysed and interpreted using a Dynamic Energy Budget model by describing changes in 3 metabolic processes: assimilation, maintenance, and growth. Based on cockle size data only we could not differentiate between these processes, however, by using variability of DEB parameter values in 11 bivalve species, we showed growth to be the least relevant process.

  8. A coupled low order dynamo/turbulent shell model for geomagnetic field variations and reversals

    NASA Astrophysics Data System (ADS)

    Ryan, David A.; Sarson, Graeme R.

    2011-10-01

    We couple a low order αω dynamo model to a shell model of turbulence, with the dynamo α-effect being identified with the helicity of the shell model. Fluctuations ('noise') in this term lead to lognormal-like statistics in the magnetic field, as was noted for inter-reversal duration by Ryan and Sarson (2007). Here we extend the analysis to shorter time-scale field variations (viz. Virtual Axial Dipole Moments, VADMs), and find that a lognormal distribution is also a significant fit for this quantity, both for the output from our model and for the observed paleomagnetic data. This shared lognormality - which Ryan and Sarson (2007) argued arose from a common source in terms of 'multiplicative noise' in the underlying dynamo mechanism - makes the synthetic and observed data comparable; we also note some similarities in the patterns of VADM fluctuations (including asymmetric decay and recovery, epitomised in an extreme form by the controversial 'saw-tooth' pattern) and in reversal inter-event times (chrons) of widely varying duration. We describe the dynamics behind our coupled model, and discuss the effect of certain model parameters on the synthetic chron durations, including the occurrence of superchrons. Implications for the observed geomagnetic field behaviour are discussed.

  9. Emergence of cluster structures and collectivity within a no-core shell-model framework

    NASA Astrophysics Data System (ADS)

    Launey, K. D.; Dreyfuss, A. C.; Draayer, J. P.; Dytrych, T.; Baker, R.

    2014-12-01

    An innovative symmetry-guided concept, which capitalizes on partial as well as exact symmetries that underpin the structure of nuclei, is discussed. Within this framework, ab initio applications of the theory to light nuclei reveal the origin of collective modes and the emergence a simple orderly pattern from first principles. This provides a strategy for determining the nature of bound states of nuclei in terms of a relatively small fraction of the complete shell-model space, which, in turn, can be used to explore ultra-large model spaces for a description of alpha-cluster and highly deformed structures together with the associated rotations. We find that by using only a fraction of the model space extended far beyond current no-core shell-model limits and a long-range interaction that respects the symmetries in play, the outcome reproduces characteristic features of the low-lying 0+ states in 12 C (including the elusive Hoyle state and its 2+ excitation) and agrees with ab initio results in smaller spaces. This is achieved by selecting those particle configurations and components of the interaction found to be foremost responsible for the primary physics governing clustering phenomena and large spatial deformation in the ground-state and Hoyle-state rotational bands of 12 C. For these states, we offer a novel perspective emerging out of no-core shell-model considerations, including a discussion of associated nuclear deformation, matter radii, and density distribution. The framework we find is also extensible to negative-parity states (e.g., the 3-1 state in 12C) and beyond, namely, to the low-lying 0+ states of 8Be as well as the ground-state rotational band of Ne, Mg, and Si isotopes. The findings inform key features of the nuclear interaction and point to a new insight into the formation of highly-organized simple patterns in nuclear dynamics.

  10. Building Atoms Shell by Shell.

    ERIC Educational Resources Information Center

    Sussman, Beverly

    1993-01-01

    Describes an atom-building activity where students construct three-dimensional models of atoms using a styrofoam ball as the nucleus and pom-poms, gum drops, minimarshmallows, or other small items of two different colors to represent protons and neutrons attached. Rings of various sizes with pom-poms attached represent electron shells and…

  11. Building Atoms Shell by Shell.

    ERIC Educational Resources Information Center

    Sussman, Beverly

    1993-01-01

    Describes an atom-building activity where students construct three-dimensional models of atoms using a styrofoam ball as the nucleus and pom-poms, gum drops, minimarshmallows, or other small items of two different colors to represent protons and neutrons attached. Rings of various sizes with pom-poms attached represent electron shells and…

  12. A study of the collapse of spherical shells, Part II: Model Validation.

    SciTech Connect

    Thacker, B. H.; McKeighan, P. C.; Pepin, J. E.

    2005-01-01

    There is a growing need to quantify the level of credibility that can be associated with model predictions. Model verification and validation (V&V) is a methodology for the development of models that can be used to make engineering predictions with quantified confidence. Model V&V procedures are needed by government and industry to reduce the time, cost and risk associated with component and full-scale testing of products, materials, and weapons. Consequently, the development of guidelines and procedures for conducting a V&V program are currently being defined by a broad spectrum of researchers. This talk will discuss an on-going effort to validate a model that predicts the collapse load of a spherical shell structure. Inherent variations in geometric shape and material parameters are included in the uncertainty model. Results from a recently completed probabilistic validation test to measure the variation in collapse load are compared to the predicted collapse load variation.

  13. A Complete Structural Inventory of the Mycobacterial Microcompartment Shell Proteins Constrains Models of Global Architecture and Transport.

    PubMed

    Mallette, Evan; Kimber, Matthew S

    2017-01-27

    Bacterial microcompartments are bacterial analogs of eukaryotic organelles in that they spatially segregate aspects of cellular metabolism, but they do so by building not a lipid membrane but a thin polyhedral protein shell. Although multiple shell protein structures are known for several microcompartment types, additional uncharacterized components complicate systematic investigations of shell architecture. We report here the structures of all four proteins proposed to form the shell of an uncharacterized microcompartment designated the Rhodococcus and Mycobacterium microcompartment (RMM), which, along with crystal interactions and docking studies, suggests possible models for the particle's vertex and edge organization. MSM0272 is a typical hexameric β-sandwich shell protein thought to form the bulk of the facet. MSM0273 is a pentameric β-barrel shell protein that likely plugs the vertex of the particle. MSM0271 is an unusual double-ringed bacterial microcompartment shell protein whose rings are organized in an offset position relative to all known related proteins. MSM0275 is related to MSM0271 but self-organizes as linear strips that may line the facet edge; here, the presence of a novel extendable loop may help ameliorate poor packing geometry of the rigid main particle at the angled edges. In contrast to previously characterized homologs, both of these proteins show closed pores at both ends. This suggests a model where key interactions at the vertex and edges are mediated at the inner layer of the shell by MSM0271 (encircling MSM0273) and MSM0275, and the facet is built from MSM0272 hexamers tiling in the outer layer of the shell. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  14. Analysis of Composite Skin-Stiffener Debond Specimens Using a Shell/3D Modeling Technique and Submodeling

    NASA Technical Reports Server (NTRS)

    OBrien, T. Kevin (Technical Monitor); Krueger, Ronald; Minguet, Pierre J.

    2004-01-01

    The application of a shell/3D modeling technique for the simulation of skin/stringer debond in a specimen subjected to tension and three-point bending was studied. The global structure was modeled with shell elements. A local three-dimensional model, extending to about three specimen thicknesses on either side of the delamination front was used to model the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from shell/3D simulations were in good agreement with results obtained from full solid models. The good correlation of the results demonstrated the effectiveness of the shell/3D modeling technique for the investigation of skin/stiffener separation due to delamination in the adherents. In addition, the application of the submodeling technique for the simulation of skin/stringer debond was also studied. Global models made of shell elements and solid elements were studied. Solid elements were used for local submodels, which extended between three and six specimen thicknesses on either side of the delamination front to model the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from the simulations using the submodeling technique were not in agreement with results obtained from full solid models.

  15. Deformed shell model results for neutrinoless double beta decay of nuclei in A = 60 - 90 region

    NASA Astrophysics Data System (ADS)

    Sahu, R.; Kota, V. K. B.

    2015-03-01

    Nuclear transition matrix elements (NTME) for the neutrinoless double beta decay (Oνββ or OνDBD) of 70Zn, 80Se and 82Se nuclei are calculated within the framework of the deformed shell model (DSM) based on Hartree-Fock (HF) states. For 70Zn, jj44b interaction in 2p3/2, 1f5/2, 2p1/2 and 1g9/2 space with 56Ni as the core is employed. However, for 80Se and 82Se nuclei, a modified Kuo interaction with the above core and model space are employed. Most of our calculations in this region were performed with this effective interaction. However, jj44b interaction has been found to be better for 70Zn. The above model space was used in many recent shell model (SM) and interacting boson model (IBM) calculations for nuclei in this region. After ensuring that DSM gives good description of the spectroscopic properties of low-lying levels in these three nuclei considered, the NTME are calculated. The deduced half-lives with these NTME, assuming neutrino mass is 1 eV, are 1.1 × 1026, 2.3 × 1027 and 2.2 × 1024 yr for 70Zn, 80Se and 82Se, respectively.

  16. Dynamic modelling and active vibration controller design for a cylindrical shell equipped with piezoelectric sensors and actuators

    NASA Astrophysics Data System (ADS)

    Kwak, Moon K.; Heo, Seok; Jeong, Moonsan

    2009-04-01

    This paper is concerned with the dynamic modelling, active vibration controller design and experiments for a cylindrical shell equipped with piezoelectric sensors and actuators. The dynamic model was derived by using Rayleigh-Ritz method based on the Donnel-Mushtari shell theory. The actuator equations which relate the applied voltages to the generalized force and sensor equations which relate the generalized displacements to the sensor output voltages for the piezoelectric wafer were derived based on the pin-force model. The equations of motion along with the piezoelectric sensor equations were then reduced to modal forms considering the modes of interest. An aluminium shell was fabricated to demonstrate the effectiveness of the modelling and control techniques. The boundary conditions at both ends of the shell were assumed to be a shear diaphragm in the numerical analysis. Theoretical natural frequencies of the aluminium shell were then calculated and compared to experimental result. They were in good agreement with experimental result for the first two free-vibration modes. The multi-input and multi-output positive position feedback controller, which can cope with the first two vibration modes, was designed based on the block-inverse theory and was implemented digitally using the DSP board. The experimental results showed that vibrations of the cylindrical shell can be successfully suppressed by the piezoelectric actuator and the proposed controller.

  17. Shell Model for Atomistic Simulation of Lithium Diffusion in Mixed Mn/Ti Oxides

    SciTech Connect

    Kerisit, Sebastien N.; Chaka, Anne M.; Droubay, Timothy C.; Ilton, Eugene S.

    2014-10-23

    Mixed Mn/Ti oxides present attractive physicochemical properties such as their ability to accommodate Li for application in Li-ion batteries. In this work, atomic parameters for Mn were developed to extend an existing shell model of the Li-Ti-O system and allow simulations of pure and lithiated Mn and mixed Mn/Ti oxide polymorphs. The shell model yielded good agreement with experimentally-derived structures (i.e. lattice parameters and inter-atomic distances) and represented an improvement over existing potential models. The shell model was employed in molecular dynamics (MD) simulations of Li diffusion in the 1×1 c direction channels of LixMn1 yTiyO2 with the rutile structure, where 0 ≤ x ≤ 0.25 and 0 ≤ y ≤ 1. In the infinite dilution limit, the arrangement of Mn and Ti ions in the lattice was found to have a significant effect on the activation energy for Li diffusion in the c channels due to the destabilization of half of the interstitial octahedral sites. Anomalous diffusion was demonstrated for Li concentrations as low as x = 0.125, with a single Li ion positioned in every other c channel. Further increase in Li concentration showed not only the substantial effect of Li-Li repulsive interactions on Li mobility but also their influence on the time dependence of Li diffusion. The results of the MD simulations can inform intrinsic structure-property relationships for the rational design of improved electrode materials for Li-ion batteries.

  18. Electrostatic self-energy of a partially formed spherical shell in salt solution: application to stability of tethered and fluid shells as models for viruses and vesicles.

    PubMed

    Božič, Anže Lošdorfer; Šiber, Antonio; Podgornik, Rudolf

    2011-04-01

    We investigate the electrostatics of a partially formed, charged spherical shell in a salt solution. We solve the problem numerically at the Poisson-Boltzmann level and analytically in the Debye-Hückel regime. From the results on energetics of partially formed shells we examine the stability of tethered (crystalline) and fluid shells toward rupture. We delineate different regimes of stability, where, for fluid shells, we also include the effects of bending elasticity of the shells. Our analysis shows how charging of the shell induces its instability toward rupture but also provides insight regarding growth of charged shells.

  19. The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi's Sarcoma-Associated Herpesvirus

    SciTech Connect

    Baltz, Jennifer L.; Filman, David J.; Ciustea, Mihai; Silverman, Janice Elaine Y.; Lautenschlager, Catherine L.; Coen, Donald M.; Ricciardi, Robert P.; Hogle, James M.

    2009-12-01

    Kaposi's sarcoma-associated herpesvirus is an emerging pathogen whose mechanism of replication is poorly understood. PF-8, the presumed processivity factor of Kaposi's sarcoma-associated herpesvirus DNA polymerase, acts in combination with the catalytic subunit, Pol-8, to synthesize viral DNA. We have solved the crystal structure of residues 1 to 304 of PF-8 at a resolution of 2.8 {angstrom}. This structure reveals that each monomer of PF-8 shares a fold common to processivity factors. Like human cytomegalovirus UL44, PF-8 forms a head-to-head dimer in the form of a C clamp, with its concave face containing a number of basic residues that are predicted to be important for DNA binding. However, there are several differences with related proteins, especially in loops that extend from each monomer into the center of the C clamp and in the loops that connect the two subdomains of each protein, which may be important for determining PF-8's mode of binding to DNA and to Pol-8. Using the crystal structures of PF-8, the herpes simplex virus catalytic subunit, and RB69 bacteriophage DNA polymerase in complex with DNA and initial experiments testing the effects of inhibition of PF-8-stimulated DNA synthesis by peptides derived from Pol-8, we suggest a model for how PF-8 might form a ternary complex with Pol-8 and DNA. The structure and the model suggest interesting similarities and differences in how PF-8 functions relative to structurally similar proteins.

  20. On the weaknesses of the valence shell electron pair repulsion (VSEPR) model

    NASA Astrophysics Data System (ADS)

    Røeggen, Inge

    1986-07-01

    The validity of the valence shell electron pair repulsion model (VSEPR) is discussed within the framework of an antisymmetric product of strongly orthogonal geminals (APSG). It is shown that when a molecule is partitioned onto fragments consisting of a central fragment, lone pairs, bond pairs, and ligands, the total APSG energy including the nuclear repulsion terms, can be written as a sum of intra- and interfragment energies. The VSEPR terms can be identified as three out of 13 different energy components. The analysis is applied to the water molecule. Six of the neglected energy components in the VSEPR model have a larger variation with the bond angle than the terms which are included in the model. According to this analysis it is difficult to consider the VSEPR model as a valid framework for discussing molecular equilibrium geometries. It is suggested that energy fragment analysis might represent an alternative model.

  1. Non-linear rotation-free shell finite-element models for aortic heart valves.

    PubMed

    Gilmanov, Anvar; Stolarski, Henryk; Sotiropoulos, Fotis

    2017-01-04

    Hyperelastic material models have been incorporated in the rotation-free, large deformation, shell finite element (FE) formulation of (Stolarski et al., 2013) and applied to dynamic simulations of aortic heart valve. Two models used in the past in analysis of such problem i.e. the Saint-Venant and May-Newmann-Yin (MNY) material models have been considered and compared. Uniaxial tests for those constitutive equations were performed to verify the formulation and implementation of the models. The issue of leaflets interactions during the closing of the heart valve at the end of systole is considered. The critical role of using non-linear anisotropic model for proper dynamic response of the heart valve especially during the closing phase is demonstrated quantitatively. This work contributes an efficient FE framework for simulating biological tissues and paves the way for high-fidelity flow structure interaction simulations of native and bioprosthetic aortic heart valves.

  2. Anomalous scaling from controlled closure in a shell model of turbulence

    NASA Astrophysics Data System (ADS)

    L'vov, Victor S.; Pierotti, Daniela; Pomyalov, Anna; Procaccia, Itamar

    2000-04-01

    We present a model of hydrodynamic turbulence for which the program of computing the scaling exponents from first principles can be developed in a controlled fashion. The model consists of N suitably coupled copies of the "Sabra" shell model of turbulence. The couplings are chosen to include two components: random and deterministic, with a relative importance that is characterized by a parameter called ɛ. It is demonstrated, using numerical simulations of up to 25 copies and 28 shells that in the N→∞ limit but for 0<ɛ⩽1 this model exhibits correlation functions whose scaling exponents are anomalous. The theoretical calculation of the scaling exponents follows verbatim the closure procedure suggested recently for the Navier-Stokes problem, with the additional advantage that in the N→∞ limit the parameter ɛ can be used to regularize the closure procedure. The main result of this paper is a finite and closed set of scale-invariant equations for the 2nd and 3rd order statistical objects of the theory. This set of equations takes into account terms up to order ɛ4 and neglects terms of order ɛ6. Preliminary analysis of this set of equations indicates a K41 normal scaling at ɛ=0, with a birth of anomalous exponents at larger values of ɛ, in agreement with the numerical simulations.

  3. Toward Effective Shell Modeling of Wrinkled Thin-Film Membranes Exhibiting Stress Concentrations

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; Sleight, David W.

    2004-01-01

    Geometrically nonlinear shell finite element analysis has recently been applied to solar-sail membrane problems in order to model the out-of-plane deformations due to structural wrinkling. Whereas certain problems lend themselves to achieving converged nonlinear solutions that compare favorably with experimental observations, solutions to tensioned membranes exhibiting high stress concentrations have been difficult to obtain even with the best nonlinear finite element codes and advanced shell element technology. In this paper, two numerical studies are presented that pave the way to improving the modeling of this class of nonlinear problems. The studies address the issues of mesh refinement and stress-concentration alleviation, and the effects of these modeling strategies on the ability to attain converged nonlinear deformations due to wrinkling. The numerical studies demonstrate that excessive mesh refinement in the regions of stress concentration may be disadvantageous to achieving wrinkled equilibrium states, causing the nonlinear solution to lock in the membrane response mode, while totally discarding the very low-energy bending response that is necessary to cause wrinkling deformation patterns. An element-level, strain-energy density criterion is suggested for facilitating automated, adaptive mesh refinements specifically aimed at the modeling of thin-film membranes undergoing wrinkling deformations.

  4. A nonlocal shell model for mode transformation in single-walled carbon nanotubes.

    PubMed

    Shi, M X; Li, Q M; Huang, Y

    2009-11-11

    A second-order strain gradient nonlocal shell model is established to study the mode transformation in single-walled carbon nanotubes (SWCNTs). Nonlocal length is calibrated carefully for SWCNTs in reference to molecular dynamics (MD) simulations through analysis of nonlocal length effects on the frequencies of the radial breathing mode (RBM) and circumferential flexural modes (CFMs) and its effects on mode transformation. All analyses show that only a negative second-order nonlocal shell model is appropriate to SWCNTs. Nonlocal length is evidently related to vibration modes and the radius-to-thickness ratio. It is found that a nonlocal length is approximately 0.1 nm in an average sense when RBM frequency is concerned. A nonlocal length of 0.122-0.259 nm is indicated for the mode transformation in a selected group of armchair SWCNTs. 2:1 and 1:1 internal resonances are found for the same SWCNT based on different models, which implies that the internal resonance mechanism depends on the model employed. Furthermore, it is shown that an effective thickness of approximately 0.1 nm is more appropriate to SWCNTs than 0.066 nm.

  5. Study of DCX reaction on medium nuclei with Monte-Carlo Shell Model

    SciTech Connect

    Wu, H. C.; Gibbs, W. R.

    2010-08-04

    In this work a method is introduced to calculate the DCX reaction in the framework of Monte-Carlo Shell Model (MCSM). To facilitate the use of Zero-temperature formalism of MCSM, the Double-Isobaric-Analog State (DIAS) is derived from the ground state by using isospin shifting operator. The validity of this method is tested by comparing the MCSM results to those of the SU(3) symmetry case. Application of this method to DCX on {sup 56}Fe and {sup 93}Nb is discussed.

  6. Shell Model Description of the Odd-Odd Co and Cu Nuclei

    SciTech Connect

    Medina, N. H.; Allegro, P. R. P.; Oliveira, J. R. B. de; Ribas, R. V.; Seale, W. A.; Toufen, D. L.; Silveira, M. A. G.

    2007-10-26

    The known excited states of the odd-odd nuclei {sup 54,56,58,60}Co and 60,62,64,66Cu were interpreted in the framework of the large scale shell model (LSSM), using several effective interactions and configuration spaces. For the description of the negative parity states, we have allowed one particle excitation to the g{sub 9/2} orbital. The LSSM using the GXPF1 effective interaction reproduces well the first excited states in all of these nuclei.

  7. Bonn potential and shell-model calculations for N=126 isotones

    SciTech Connect

    Coraggio, L.; Covello, A.; Gargano, A.; Itaco, N.; Kuo, T. T. S.

    1999-12-01

    We have performed shell-model calculations for the N=126 isotones {sup 210}Po, {sup 211}At, and {sup 212}Rn using a realistic effective interaction derived from the Bonn-A nucleon-nucleon potential by means of a G-matrix folded-diagram method. The calculated binding energies, energy spectra, and electromagnetic properties show remarkably good agreement with the experimental data. The results of this paper complement those of our previous study on neutron hole Pb isotopes, confirming that realistic effective interactions are now able to reproduce with quantitative accuracy the spectroscopic properties of complex nuclei. (c) 1999 The American Physical Society.

  8. Shell model Monte Carlo studies of nuclei in the A˜80 mass region

    NASA Astrophysics Data System (ADS)

    Langanke, K.; Dean, D. J.; Nazarewicz, W.

    2003-12-01

    We perform shell model Monte Carlo calculations for proton-rich Kr, Sr, and Zr isotopes in the mass range A=72-84. We employ a complete 1 p0 f-0 g1 d2 s configuration space and an effective quadrupole-plus-pairing residual interaction. Our calculation reproduces the large B( E2) values observed in these nuclei. We relate these values to the gain in correlation energy obtained by moving nucleons across the N=40 subshell closure into g9/2 orbitals.

  9. Projected shell model study of ground state bands in 171-175Tm

    NASA Astrophysics Data System (ADS)

    Slathia, B.; Devi, R.; Khosa, S. K.

    2016-10-01

    The ground state bands of thulium isotopes with mass numbers (A), ranging from 171 to 175, have been investigated in the framework of the projected shell model. The theoretical results for the energy levels of ground state bands were found to be in reasonable agreement with the observed values. Predictably, E2 transition probabilities have got predicted vis-a-vis transitions with non-availability of experimental values. The E2 transition probability values have been observed to follow the same trend as seen in 171Tm.

  10. Magnetization of the Ising model on the Sierpinski pastry-shell

    NASA Astrophysics Data System (ADS)

    Chame, Anna; Branco, N. S.

    1992-02-01

    Using a real-space renormalization group approach, we calculate the approximate magnetization in the Ising model on the Sierpinski Pastry-shell. We consider, as an approximation, only two regions of the fractal: the internal surfaces, or walls (sites on the border of eliminated areas), with coupling constants JS, and the bulk (all other sites), with coupling constants Jv. We obtain the mean magnetization of the two regions as a function of temperature, for different values of α= JS/ JV and different geometric parameters b and l. Curves present a step-like behavior for some values of b and l, as well as different universality classes for the bulk transition.

  11. A lattice Boltzmann study of non-hydrodynamic effects in shell models of turbulence

    NASA Astrophysics Data System (ADS)

    Benzi, R.; Biferale, L.; Sbragaglia, M.; Succi, S.; Toschi, F.

    2004-10-01

    A lattice Boltzmann scheme simulating the dynamics of shell models of turbulence is developed. The influence of high-order kinetic modes (ghosts) on the dissipative properties of turbulence dynamics is studied. It is analytically found that when ghost fields relax on the same timescale as the hydrodynamic ones, their major effect is a net enhancement of the fluid viscosity. The bare fluid viscosity is recovered by letting ghost fields evolve on a much longer timescale. Analytical results are borne out by high-resolution numerical simulations. These simulations indicate that the hydrodynamic manifold is very robust towards large fluctuations of non-hydrodynamic fields.

  12. Stability analysis of nanocones under external pressure and axial compression using a nonlocal shell model

    NASA Astrophysics Data System (ADS)

    Firouz-Abadi, R. D.; Fotouhi, M. M.; Haddadpour, H.

    2012-06-01

    A nonlocal continuum shell model is developed to study the stability of nanocones under combined loading: external pressure and compression force. The nonlinear governing equations of motion of nanocone are obtained using Hamilton's principle and the external loads are considered as prestress. Based on Eringen's nonlocal elasticity theory the small-scale effect is accounted in the governing equations of motion. To obtain the critical loads, the equations are solved using Galerkin technique and the effect of small-scale parameter and geometry on the stability of nanocone is studied.

  13. Recent developments of the projected shell model based on many-body techniques

    NASA Astrophysics Data System (ADS)

    Sun, Yang; Wang, Long-Jun; Chen, Fang-Qi; Mizusaki, Takahiro; Oi, Makito; Ring, Peter

    2015-05-01

    Recent developments of the projected shell model (PSM) are summarized. Firstly, by using the Pfaffian algorithm, the multi-quasiparticle configuration space is expanded to include 6-quasiparticle states. The yrast band of 166Hf at very high spins is studied as an example, where the observed third back-bending in the moment of inertia is well reproduced and explained. Secondly, an angular-momentum projected generate coordinate method is developed based on PSM. The evolution of the low-lying states, including the second 0+ state, of the soft Gd, Dy, and Er isotopes to the well-deformed ones is calculated, and compared with experimental data.

  14. Shell-model calculations of beta-decay rates for s- and r-process nucleosyntheses

    NASA Astrophysics Data System (ADS)

    Takahashi, K.; Mathews, G. J.; Bloom, S. D.

    1985-10-01

    Examples of large-basis shell-model calculations of Gamow-Teller (BETA)-decay properties of specific interest in the astrophysical s- and r- processes are presented. Numerical results are given for: (1) the GT-matrix elements for the excited state decays of the unstable s-process nucleus Tc-99; and (2) the GT-strength function for the neutron-rich nucleus Cd-130, which lies on the r-process path. The results are discussed in conjunction with the astrophysics problems.

  15. Projected shell model study of yrast states of neutron-deficient odd-mass Pr nuclei

    SciTech Connect

    Ibanez-Sandoval, A.; Ortiz, M. E.; Velazquez, V.; Galindo-Uribarri, A.; Hess, P. O.; Sun, Y.

    2011-03-15

    A wide variety of modern instruments allow us to study neutron-deficient nuclei in the A=130 mass region. Highly deformed nuclei have been found in this region, providing opportunities to study the deformed rotational bands. The description of the {sup 125,127,129,131,133}Pr isotopes with the projected shell model is presented in this paper. Good agreement between theory and experiment is obtained and some characteristics are discussed, including the dynamic moment of inertia J{sup (2)}, kinetic moment of inertia J{sup (1)}, the crossing of rotational bands, and backbending effects.

  16. Projected Shell Model Study of Yrast States of Neutron-Deficient Odd-Mass Pr Nuclei

    SciTech Connect

    Ibanes, A.; Ortiz, Mark E; Velazquez, V.; Galindo-Uribarri, Alfredo {nmn}; Hess, P. O.; Sun, Y.

    2011-01-01

    A wide variety of modern instruments allow us to study neutron-deficient nuclei in the A = 130 mass region. Highly deformed nuclei have been found in this region, providing opportunities to study the deformed rotational bands. The description of the 125,127,129,131,133Pr isotopes with the projected shell model is presented in this paper. Good agreement between theory and experiment is obtained and some characteristics are discussed, including the dynamic moment of inertia J (2), kinetic moment of inertia J (1), the crossing of rotational bands, and backbending effects.

  17. Properties of {Delta}{ital I}=4 bifurcation from the projected shell model

    SciTech Connect

    Sun, Y.; Zhang, J.; Guidry, M. ||||

    1996-12-01

    A recent understanding of {Delta}{ital I}=4 bifurcation (or, {Delta}{ital I}=2 staggering) based on the projected shell model is used to investigate optimal situations for observing this effect. A set of nuclei is proposed that may represent favorable cases for observation of this effect in normally deformed nuclei. It is found that the occurrence of {Delta}{ital I}=4 bifurcation is extremely sensitive to the quasiparticle distribution near the Fermi surface; therefore such effects probe the microscopic quasiparticle structure of rotational bands in a very sensitive manner. {copyright} {ital 1996 The American Physical Society.}

  18. Shell model estimate of electric dipole moments in medium and heavy nuclei

    NASA Astrophysics Data System (ADS)

    Teruya, Eri; Yoshinaga, Naotaka; Higashiyama, Koji

    2015-05-01

    Existence of the electric dipole moment (EDM) is deeply related with time-reversal invariance. The EDMof a diamagnetic atom is mainly induced by the nuclear Schiff moment. After carrying out the shell model calculations to obtain wavefunctions for Xe isotopes, we evaluate nuclear Schiff moments for Xe isotopes to estimate their atomic EDMs. We estimate the contribution from each single particle orbital for the Schiff moment. It is found that the contribution on the Schiff moment is very different from orbital to orbital.

  19. PfSMAD4 plays a role in biomineralization and can transduce bone morphogenetic protein-2 signals in the pearl oyster Pinctada fucata.

    PubMed

    Zhao, Mi; Shi, Yu; He, Maoxian; Huang, Xiande; Wang, Qi

    2016-04-26

    Mollusca is the second largest phylum in nature. The shell of molluscs is a remarkable example of a natural composite biomaterial. Biomineralization and how it affects mollusks is a popular research topic. The BMP-2 signaling pathway plays a canonical role in biomineralization. SMAD4 is an intracellular transmitter in the BMP signaling pathway in mammals, and some genomic data show SMAD4's involvement in BMP signaling in invertebrates, but whether SMAD4 plays a conservative role in pearl oyster, Pinctada fucata, still need to be tested. In this study, we identified a SMAD4 gene (hereafter designated PfSMAD4) in pearl oyster Pinctada fucata. Bioinformatics analysis of PfSMAD4 showed high identity with its orthologs. PfSMAD4 was located in the cytoplasm in immunofluorescence assays and analyses of PfSMAD4 mRNA in tissues and developmental stages showed high expression in ovaries and D-shaped larvae. An RNA interference experiment, performed by PfSMAD4 double-stranded RNA (dsRNA) injection, demonstrated inhibition not only of nacre growth but also organic sheet formation with a decrease in PfSMAD4 expression. A knockdown experiment using PfBMP2 dsRNA showed decreased PfBMP2 and PfSMAD4 mRNA and irregular crystallization of the nacreous layer using scanning electron microscopy. In co-transfection experiments, PfBMP2-transactivated reporter constructs contained PfSMAD4 promoter sequences. Our results suggest that PfSMAD4 plays a role in biomineralization and can transduce BMP signals in P. fucata. Our data provides important clues about the molecular mechanisms that regulate biomineralization in pearl oyster.

  20. Electron attachment to Ni(PF(3))(4) and Pt(PF(3))(4).

    PubMed

    Friedman, Jeffrey F; Miller, Thomas M; Friedman-Schaffer, Jessica K; Viggiano, A A; Rekha, G K; Stevens, Amy E

    2008-03-14

    An experimental study has been made of thermal electron attachment to the transition-metal trifluorophosphine complexes Ni(PF(3))(4) and Pt(PF(3))(4) using a flowing-afterglow Langmuir-probe apparatus. Both complexes are efficient at electron attachment, although the rate constants are somewhat less than collisional. The rate constant for electron attachment to Ni(PF(3))(4) is 1.9 x 10(-7) cm(3) s(-1) at room temperature, about a factor of 2 less than collisional. The activation energy is 39+/-5 meV for the attachment reaction. The rate constant for electron attachment to Pt(PF(3))(4) is 5.4 x 10(-8) cm(3) s(-1) at room temperature, and the activation energy is 84+/-8 meV. For both complexes, a PF(3) ligand is lost on electron attachment, and only the M(PF(3))(3)(-) ion is observed in the negative-ion mass spectrum. Density functional calculations were carried out on Ni(PF(3))(4) and various fragments in order to describe the thermochemistry of the attachment reaction.

  1. Electron attachment to Ni(PF3)4 and Pt(PF3)4

    NASA Astrophysics Data System (ADS)

    Friedman, Jeffrey F.; Miller, Thomas M.; Friedman-Schaffer, Jessica K.; Viggiano, A. A.; Rekha, G. K.; Stevens, Amy E.

    2008-03-01

    An experimental study has been made of thermal electron attachment to the transition-metal trifluorophosphine complexes Ni(PF3)4 and Pt(PF3)4 using a flowing-afterglow Langmuir-probe apparatus. Both complexes are efficient at electron attachment, although the rate constants are somewhat less than collisional. The rate constant for electron attachment to Ni(PF3)4 is 1.9×10-7cm3s-1 at room temperature, about a factor of 2 less than collisional. The activation energy is 39±5meV for the attachment reaction. The rate constant for electron attachment to Pt(PF3)4 is 5.4×10-8cm3s-1 at room temperature, and the activation energy is 84±8meV. For both complexes, a PF3 ligand is lost on electron attachment, and only the M(PF3)3- ion is observed in the negative-ion mass spectrum. Density functional calculations were carried out on Ni(PF3)4 and various fragments in order to describe the thermochemistry of the attachment reaction.

  2. Modelling of influential parameters on a continuous evaporation process by Doehlert shells

    PubMed Central

    Porte, Catherine; Havet, Jean-Louis; Daguet, David

    2003-01-01

    The modelling of the parameters that influence the continuous evaporation of an alcoholic extract was considered using Doehlert matrices. The work was performed with a wiped falling film evaporator that allowed us to study the influence of the pressure, temperature, feed flow and dry matter of the feed solution on the dry matter contents of the resulting concentrate, and the productivity of the process. The Doehlert shells were used to model the influential parameters. The pattern obtained from the experimental results was checked allowing for some dysfunction in the unit. The evaporator was modified and a new model applied; the experimental results were then in agreement with the equations. The model was finally determined and successfully checked in order to obtain an 8% dry matter concentrate with the best productivity; the results fit in with the industrial constraints of subsequent processes. PMID:18924887

  3. Modelling of influential parameters on a continuous evaporation process by Doehlert shells.

    PubMed

    Fauduet, Henri; Porte, Catherine; Havet, Jean-Louis; Daguet, David

    2003-01-01

    The modelling of the parameters that influence the continuous evaporation of an alcoholic extract was considered using Doehlert matrices. The work was performed with a wiped falling film evaporator that allowed us to study the influence of the pressure, temperature, feed flow and dry matter of the feed solution on the dry matter contents of the resulting concentrate, and the productivity of the process. The Doehlert shells were used to model the influential parameters. The pattern obtained from the experimental results was checked allowing for some dysfunction in the unit. The evaporator was modified and a new model applied; the experimental results were then in agreement with the equations. The model was finally determined and successfully checked in order to obtain an 8% dry matter concentrate with the best productivity; the results fit in with the industrial constraints of subsequent processes.

  4. Shielded attractive shell model again: resummed thermodynamic perturbation theory for central force potential

    NASA Astrophysics Data System (ADS)

    Reščič, J.; Kalyuzhnyi, Y. V.; Cummings, P. T.

    2016-10-01

    The approach developed earlier to describe the dimerizing shielded attractive shell (SAS) primitive model of chemical association due to Cummings and Stell is generalized and extended to include a description of a polymerizing SAS model. Our extension is based on the combination of the resummed thermodynamic perturbation theory for central force (RTPT-CF) associating potential and self consistent scheme, which takes into account the changes in the system free volume due to association. Theoretical results for thermodynamical properties of the model at different bonding length, density and temperature are compared against newly generated computer simulation results. The theory gives very accurate predictions for the model with bonding length L * from the range 0  <  L *  <  0.6 at all values of the density and temperature studied, including the limit of infinitely large temperature.

  5. On-shell parameter fixing in the quark-meson model

    NASA Astrophysics Data System (ADS)

    Adhikari, Prabal; Andersen, Jens O.; Kneschke, Patrick

    2017-02-01

    The quark-meson model is often used as an effective low-energy model for QCD to study the chiral transition at finite temperature T and baryon chemical potential μB. The parameters in the quark-meson model can be found by expressing them in terms of the sigma mass mσ, the pion mass mπ, the constituent quark mass mq and the pion decay constant fπ. In practice, this matching is done at tree level, which is inconsistent once loop effects of the effective potential are taken into account. We show how to properly perform the matching in the quark-meson model by using the on-shell and the minimal subtraction renormalization schemes relating the physical masses and the pion decay constant to the running mass parameter and couplings. We map out the phase diagram in the μB- T plane and compare our results with other approximations.

  6. Ternary fission of a heavy nuclear system within a three-center shell model

    NASA Astrophysics Data System (ADS)

    Karpov, A. V.

    2016-12-01

    Background: Since more than 40 years of theoretical and experimental studies of true ternary fission, one is still quite far from its understanding. The true ternary fission channel, being strongly suppressed by the macroscopic properties of the potential energy, may, however, be present with a significant probability due to shell effects. Purpose: Development of a model for the multidimensional potential energy suitable for analysis of the nucleus-nucleus collisions with the possibility of ternary exit channel. Study of the potential possibility of fission of actinides into three heavy fragments. Method: The asymmetric three-center shell model of deformed nucleus is developed in this paper. The model can be applied for analysis of ternary as well as binary fission processes. Results: The potential energy surfaces for few ternary combinations in the fission channel are calculated for the 252Cf nucleus. Their properties are discussed. Conclusions: The potential energy structures are compared with the experimental observations. It was found that the potential energy has pronounced valleys favorable for ternary fission with formation of doubly magic tin as one of the fragments and two other lighter fragments. The positions of the found fission valleys are in a good agreement with the experimental data.

  7. No-Core Shell Model for 48-Ca, 48-Sc and 48-Ti

    SciTech Connect

    Popescu, S; Stoica, S; Vary, J P; Navratil, P

    2004-10-26

    The authors report the first no-core shell model results for {sup 48}Ca, {sup 48}Sc and {sup 48}Ti with derived and modified two-body Hamiltonians. We use an oscillator basis with a limited {bar h}{Omega} range around 40/A{sup 1/3} = 11 MeV and a limited model space up to 1 {bar h}{Omega}. No single-particle energies are used. They find that the charge dependence of the bulk binding energy of eight A = 48 nuclei is reasonably described with an effective Hamiltonian derived from the CD-Bonn interaction while there is an overall underbinding by about 0.4 MeV/nucleon. However, resulting spectra exhibit deficiencies that are anticipated due to: (1) basis space limitations and/or the absence of effective many-body interactions; and, (2) the absence of genuine three-nucleon interactions. They introduce phenomenological modifications to obtain fits to total binding and low-lying spectra. The resulting no-core shell model opens a path for applications to experiments such as the double-beta ({beta}{beta}) decay process.

  8. Accuracy of K-shell spectra modeling in high-density plasmas

    PubMed

    Glenzer; Fournier; Decker; Hammel; Lee; Lours; MacGowan; Osterheld

    2000-08-01

    We present spectroscopic measurements of the helium-like and lithium-like argon emission supported by Thomson scattering diagnostics on gas bag targets. These data provide critical tests of plasma spectroscopic K-shell models. In particular, we have measured the line radiation in the wavelength region of the He-like Ar 1s(2)-1s3l transition (He-beta) that is of interest for density and temperature measurements of plasmas from gas-filled targets (n(e)/=10(24) cm(-3)). The spectra show lithium-like dielectronic satellites on the red wing of the He-beta line that are temperature sensitive and are known to influence the shape of the Stark-broadened line profiles observed from implosions. To examine the kinetics modeling of this complex, i.e., the He-beta and its associated satellites, we have performed experiments in gas bag plasmas at densities of (0.6-1.1)x10(21) cm(-3) where we independently determine the electron temperature with ultraviolet Thomson scattering. The comparison of the satellite intensities with kinetics modeling shows good agreement for satellites whose upper states are populated by dielectronic capture, but shows discrepancies for inner-shell collisional excited transitions.

  9. Well-posedness of a model for structural acoustic coupling in a cavity enclosed by a thin cylindrical shell

    NASA Technical Reports Server (NTRS)

    Banks, H. T.; Smith, R. C.

    1993-01-01

    A fully coupled mathematical model describing the interactions between a vibrating thin cylindrical shell and enclosed acoustic field is presented. Because the model will ultimately be used in control applications involving piezoceramic actuators, the loads and material contributions resulting from piezoceramic patches bonded to the shell are included in the discussion. Theoretical and computational issues lead to the consideration of a weak form of the modeling set of partial differential equations (PDE's) and through the use of a semigroup formulation, well-posedness results for the system model are obtained.

  10. Nuclear structure of low-lying states in 60,62,64,66Zn — A shell model description

    NASA Astrophysics Data System (ADS)

    Rai, S.; Biswas, A.; Mukherjee, B.

    2016-11-01

    Shell model calculation has been performed for even-even 60,62,64,66Zn using NuShellX code in f5/2pg9/2 model space with two different effective Hamiltonians, viz. JUN45 and jj44b. The low-lying structure is studied up to angular momentum, I = 10ℏ by calculating level energies, reduced transition probabilities, occupation numbers, lifetimes, and quadrupole moments. The results of the calculations are compared with the available experimental data. It is observed that the inclusion of 1g9/2 orbital in the model space is essential to understand nuclear structure in these isotopes. Shell model calculation with an improved set of effective Hamiltonian parameters and inclusion of 1f7/2 orbital in the model space are necessary in order to produce finer agreement with the experimental observations.

  11. Modelling polarized light from dust shells surrounding asymptotic giant branch stars

    NASA Astrophysics Data System (ADS)

    Aronson, E.; Bladh, S.; Höfner, S.

    2017-07-01

    Context. Winds of asymptotic giant branch (AGB) stars are commonly assumed to be driven by radiative acceleration of dust grains. For M-type AGB stars, the nature of the wind-driving dust species has been a matter of intense debate. A proposed source of the radiation pressure triggering the outflows is photon scattering on Fe-free silicate grains. This wind-driving mechanism requires grain radii of about 0.1-1 micron in order to make the dust particles efficient at scattering radiation around the stellar flux maximum. Grain size is therefore an important parameter for understanding the physics behind the winds of M-type AGB stars. Aims: We seek to investigate the diagnostic potential of scattered polarized light for determining dust grain sizes. Methods: We have developed a new tool for computing synthetic images of scattered light in dust and gas shells around AGB stars, which can be applied to detailed models of dynamical atmospheres and dust-driven winds. Results: We present maps of polarized light using dynamical models computed with the DARWIN code. The synthetic images clearly show that the intensity of the polarized light, the position of the inner edge of the dust shell, and the size of the dust grains near the inner edge are all changing with the luminosity phase. Non-spherical structures in the dust shells can also have an impact on the polarized light. We simulate this effect by combining different pulsation phases into a single 3D structure before computing synthetic images. An asymmetry of the circumstellar envelope can create a net polarization, which can be used as diagnostics for the grain size. The ratio between the size of the scattering particles and the observed wavelength determines at what wavelengths net polarization switches direction. If observed, this can be used to constrain average particle sizes.

  12. High-spin study of the shell model nucleus 88Y49

    NASA Astrophysics Data System (ADS)

    Bunce, M.; Regan, P. H.; Werner, V.; Beausang, C. W.; Anagnostatou, V.; Bowry, M.; Casperson, R. J.; Chen, D.; Cooper, N.; Goddard, P. M.; Hughes, R. O.; Ilie, G.; Mason, P. J. R.; Pauerstein, B.; Reed, M. W.; Ross, T. J.; Simpson, E. C.

    2013-04-01

    The near-yrast structure of the near-magic, odd-odd nucleus, 3988Y49, has been studied into the high-spin regime. Investigations were performed at the Wright Nuclear Structure Laboratory, Yale University, using the 74Ge(18O,p3n) and 76Ge(18O,p5n) fusion-evaporation reactions at beam energies of 60 and 90 MeV, respectively. Gamma-ray energy coincidence analyses using both double (γ2) and triple (γ3) fold coincidences, together with angular correlation measurements, have been used to extend the previously reported level scheme to an excitation energy of 8.6 MeV and a spin and parity of 19(-). The presented level scheme is compared with predictions of a truncated valence space shell-model calculation, which assumes an inert 56Ni core with proton and neutron excitations allowed within the f5/2, p3/2, p1/2, and g9/2 single-particle states. The shell-model calculations show a reasonable comparison with the experimental data for the yrast, positive-parity states up to spin 18 ℏ, with larger variations evident for negative-parity states with spins greater than 16 ℏ. In spite of a significant increase in angular momentum input associated with the thin target 76Ge(18O,p5n) reaction channel, as compared to the backed target data using the 74Ge target, no additional discrete states were identified in the former data set, suggesting that the level scheme for this nucleus fragments significantly above the observed states, possibly indicating cross-shell excitations becoming dominant for I>19 ℏ.

  13. Knockout reactions on p-shell nuclei for tests of structure and reaction models

    NASA Astrophysics Data System (ADS)

    Kuchera, A. N.; Bazin, D.; Babo, M.; Baumann, T.; Bowry, M.; Bradt, J.; Brown, J.; Deyoung, P. A.; Elman, B.; Finck, J. E.; Gade, A.; Grinyer, G. F.; Jones, M. D.; Lunderberg, E.; Redpath, T.; Rogers, W. F.; Stiefel, K.; Thoennessen, M.; Weisshaar, D.; Whitmore, K.

    2015-10-01

    A series of knockout reactions on p-shell nuclei were studied to extract exclusive cross sections and to investigate the neutron knockout mechanism. The measured cross sections provide stringent tests of shell model and ab initio calculations while measurements of neutron+residual coincidences test the accuracy and validity of reaction models used to predict cross sections. Six different beams ranging from A = 7 to 12 were produced at the NSCL totaling measurements of nine different reaction settings. The reaction settings were determined by the magnetic field of the Sweeper magnet which bends the residues into charged particle detectors. The reaction target was surrounded by the high efficiency CsI array, CAESAR, to tag gamma rays for cross section measurements of low-lying excited states. Additionally, knocked out neutrons were detected with MoNA-LISA in coincidence with the charged residuals. Preliminary results will be discussed. This work is partially supported by the National Science Foundation under Grant No. PHY11-02511 and the Department of Energy National Nuclear Security Administration under Award No. DE-NA0000979.

  14. Towards the modeling of nanoindentation of virus shells: Do substrate adhesion and geometry matter?

    NASA Astrophysics Data System (ADS)

    Bousquet, Arthur; Dragnea, Bogdan; Tayachi, Manel; Temam, Roger

    2016-12-01

    Soft nanoparticles adsorbing at surfaces undergo deformation and buildup of elastic strain as a consequence of interfacial adhesion of similar magnitude with constitutive interactions. An example is the adsorption of virus particles at surfaces, a phenomenon of central importance for experiments in virus nanoindentation and for understanding of virus entry. The influence of adhesion forces and substrate corrugation on the mechanical response to indentation has not been studied. This is somewhat surprising considering that many single-stranded RNA icosahedral viruses are organized by soft intermolecular interactions while relatively strong adhesion forces are required for virus immobilization for nanoindentation. This article presents numerical simulations via finite elements discretization investigating the deformation of a thick shell in the context of slow evolution linear elasticity and in presence of adhesion interactions with the substrate. We study the influence of the adhesion forces in the deformation of the virus model under axial compression on a flat substrate by comparing the force-displacement curves for a shell having elastic constants relevant to virus capsids with and without adhesion forces derived from the Lennard-Jones potential. Finally, we study the influence of the geometry of the substrate in two-dimensions by comparing deformation of the virus model adsorbed at the cusp between two cylinders with that on a flat surface.

  15. Parity-projected shell model Monte Carlo level densities for medium-mass nuclei

    SciTech Connect

    Oezen, C.; Langanke, K.; Martinez-Pinedo, G.; Dean, D. J.

    2008-11-11

    We investigate the effects of single-particle structure and pairing on the equilibration of positive and negative-parity level densities for the even-even nuclei {sup 58,62,66}Fe and {sup 58}Ni and the odd-A nuclei {sup 59}Ni and {sup 65}Fe. Calculations are performed using the shell model Monte Carlo method in the complete fp-gds shell-model space using a pairing+quadrupole type residual interaction. We find for the even-even nuclei that the positive-parity states dominate at low excitation energies due to strong pairing correlations. At excitation energies at which pairs are broken, single-particle structure of these nuclei is seen to play the decisive role for the energy dependence of the ratio of negative-to-positive parity level densities. We also find that equilibration energies are noticeably lower for the odd-A nuclei {sup 59}Ni and {sup 65}Fe than for the neighboring even-even nuclei {sup 58}Ni and {sup 66}Fe.

  16. Anomalous scaling in a non-Gaussian random shell model for passive scalars

    NASA Astrophysics Data System (ADS)

    Zhao, Ying-Kui; Chen, Shi-Gang; Wang, Guang-Rui

    2007-10-01

    In this paper, we have introduced a shell-model of Kraichnan's passive scalar problem. Different from the original problem, the prescribed random velocity field is non-Gaussian and δ correlated in time, and its introduction is inspired by She and Lévêque (Phys. Rev. Lett. 72, 336 (1994)). For comparison, we also give the passive scalar advected by the Gaussian random velocity field. The anomalous scaling exponents H(p) of passive scalar advected by these two kinds of random velocities above are determined for structure function with values of p up to 15 by Monte Carlo simulations of the random shell model, with Gear methods used to solve the stochastic differential equations. We find that the H(p) advected by the non-Gaussian random velocity is not more anomalous than that advected by the Gaussian random velocity. Whether the advecting velocity is non-Gaussian or Gaussian, similar scaling exponents of passive scalar are obtained with the same molecular diffusivity.

  17. Analysis of Composite Panel-Stiffener Debonding Using a Shell/3D Modeling Technique

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; Minguet, Pierre J.

    2006-01-01

    Interlaminar fracture mechanics has proven useful for characterizing the onset of delaminations in composites and has been used with limited success primarily to investigate onset in fracture toughness specimens and laboratory size coupon type specimens. Future acceptance of the methodology by industry and certification authorities however, requires the successful demonstration of the methodology on structural level. For this purpose a panel was selected that was reinforced with stringers. Shear loading cases the panel to buckle and the resulting out-of-plane deformations initiate skin/stringer separation at the location of an embedded defect. For finite element analysis, the panel and surrounding load fixture were modeled with shell element. A small section of the stringer foot and the panel in the vicinity of the embedded defect were modeled with a local 3D solid model. A failure index was calculated by correlating computed mixed-mode failure criterion of the graphite/epoxy material.

  18. Shell-Model Calculations of Two-Nucleon Tansfer Related to Double Beta Decay

    NASA Astrophysics Data System (ADS)

    Brown, Alex

    2013-10-01

    I will discuss theoretical results for two-nucleon transfer cross sections for nuclei in the regions of 48Ca, 76Ge and 136Xe of interest for testing the wavefuntions used for the nuclear matrix elements in double-beta decay. Various reaction models are used. A simple cluster transfer model gives relative cross sections. Thompson's code Fresco with direct and sequential transfer is used for absolute cross sections. Wavefunctions are obtained in large-basis proton-neutron coupled model spaces with the code NuShellX with realistic effecive Hamiltonians such as those used for the recent results for 136Xe [M. Horoi and B. A. Brown, Phys. Rev. Lett. 110, 222502 (2013)]. I acknowledge support from NSF grant PHY-1068217.

  19. Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models

    NASA Astrophysics Data System (ADS)

    Endah Saraswati, Teguh; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri

    2017-01-01

    Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH3). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory.

  20. An assessment of finite-element modeling techniques for thick-solid/thin-shell joints analysis

    NASA Technical Reports Server (NTRS)

    Min, J. B.; Androlake, S. G.

    1993-01-01

    The subject of finite-element modeling has long been of critical importance to the practicing designer/analyst who is often faced with obtaining an accurate and cost-effective structural analysis of a particular design. Typically, these two goals are in conflict. The purpose is to discuss the topic of finite-element modeling for solid/shell connections (joints) which are significant for the practicing modeler. Several approaches are currently in use, but frequently various assumptions restrict their use. Such techniques currently used in practical applications were tested, especially to see which technique is the most ideally suited for the computer aided design (CAD) environment. Some basic thoughts regarding each technique are also discussed. As a consequence, some suggestions based on the results are given to lead reliable results in geometrically complex joints where the deformation and stress behavior are complicated.

  1. Planetary Ice-Oceans: Numerical Modeling Study of Ice-Shell Growth in Convecting Two-Phase Systems

    NASA Astrophysics Data System (ADS)

    Allu Peddinti, Divya; McNamara, Allen

    2017-04-01

    Several icy bodies in the Solar system such as the icy moons Europa and Enceladus exhibit signs of subsurface oceans underneath an ice-shell. For Europa, the geologically young surface, the presence of surface features and the aligned surface chemistry pose interesting questions about formation of the ice-shell and its interaction with the ocean below. This also ties in with its astrobiological potential and implications for similar ice-ocean systems elsewhere in the cosmos. The overall thickness of the H2O layer on Europa is estimated to be 100-150 km while the thickness of the ice-shell is debated. Additionally, Europa is subject to tidal heating due to interaction with Jupiter's immense gravity field. It is of interest to understand how the ice-shell thickness varies in the presence of tidal internal heating and the localization of heating in different regions of the ice-shell. Thus this study aims to determine the effect of tidal internal heating on the growth rate of the ice-shell over time. We perform geodynamic modeling of the ice-ocean system in order to understand how the ice-shell thickness changes with time. The convection code employs the ice Ih-water phase diagram in order to model the two-phase convecting ice-ocean system. All the models begin from an initial warm thick ocean that cools from the top. The numerical experiments analyze three cases: case 1 with no tidal internal heating in the system, case 2 with constant tidal internal heating in the ice and case 3 with viscosity-dependent tidal internal heating in the ice. We track the ice-shell thickness as a function of time as the system cools. Modeling results so far have identified that the shell growth rate changes substantially at a point in time that coincides with a change in the planform of ice-convection cells. Additionally, the velocity vs depth plots indicate a shift from a conduction dominant to a convection dominant ice regime. We compare the three different cases to provide a

  2. Quantum-Shell Corrections to the Finite-Temperature Thomas-Fermi-Dirac Statistical Model of the Atom

    SciTech Connect

    Ritchie, A B

    2003-07-22

    Quantum-shell corrections are made directly to the finite-temperature Thomas-Fermi-Dirac statistical model of the atom by a partition of the electronic density into bound and free components. The bound component is calculated using analytic basis functions whose parameters are chosen to minimize the energy. Poisson's equation is solved for the modified density, thereby avoiding the need to solve Schroedinger's equation for a self-consistent field. The shock Hugoniot is calculated for aluminum: shell effects characteristic of quantum self-consistent field models are fully captures by the present model.

  3. Spectral energy distribution /119 - 685 nm/ in 16 shell stars and a tentative model for accreting Be stars

    NASA Technical Reports Server (NTRS)

    Plavec, M. J.; Dobias, J. J.; Weiland, J. L.; Stone, R. P. S.

    1982-01-01

    IUE low-dispersion spectra and spectral scans made with the Lick Observatory IDS scanners have been combined for 16 shell stars. Eleven objects can be represented by Kurucz (1979) model atmospheres, although some of them display strong shell-type line spectra. Five among them are known binaries. The six remaining objects display complex spectra. A model involving continuum and line radiation from a hydrogen cloud surrounding the accreting component is proposed. A generalization of this model with optically thick segments of the cloud promises to explain even more exotic objects such as beta Lyrae, W Serpentis and possibly epsilon Aurigae.

  4. Applicability of a Structurally Orthotropic Model in Problems on Tension, Bending, and Stability of Densely Perforated Plates and Shells

    NASA Astrophysics Data System (ADS)

    Bazhenov, V. G.; Zhestkov, M. N.

    2017-05-01

    The applicability of a structurally orthotropic model to the calculation of perforated plates and cylindrical shells subjected to tension and bending is studied by the finite-element method. The parameters of the orthotropic material are used in the form of coefficients of stiffness reduction. They are determined from the solution to the problem on deformation of a cyclically repeating structural element, with a varying degree of perforation (porosity), in tension, shear, and bending. The structural element is investigated by the methods of continuum mechanics and the theory of Timoshenko-type shells, and the limit of applicability of the theory of shells to such problems is found. The numerical results obtained are compared with the analytical estimates given by E. I. Grigolyuk and L. A. Filshtinskii. Verification of the numerically obtained orthotropic parameters is carried out based on the solution to the problem of bending of one quarter of a cylindrical strip and a plate perforated with one row of holes. It is shown that the approach chosen is applicable to perforated plates and shells in bending problems with waves whose length exceeds the characteristic size of their structural element. The stability of a perforated elastic cylindrical shell under external pressure, with two variants of boundary conditions, is investigated. Values of the critical pressure and the corresponding buckling modes in relation to the length of the shell and the degree of perforation are obtained.

  5. The Global Modeling Initiative Assessment Model: Model Description, Integration and Testing of the Transport Shell

    SciTech Connect

    Rotman, D.A.; Tannahill, J.R.; Kinnison, D.E.; Connell, P.S.; Bergmann, D.; Proctor, D.; Rodriquez, J.M.; Lin, S.J.; Rood, R.B.; Prather, M.J.; Rasch, P.J.; Considine, D.B.; Ramaroson, R.; Kawa, S.R.

    2000-04-25

    We describe the three dimensional global stratospheric chemistry model developed under the NASA Global Modeling Initiative (GMI) to assess the possible environmental consequences from the emissions of a fleet of proposed high speed civil transport aircraft. This model was developed through a unique collaboration of the members of the GMI team. Team members provided computational modules representing various physical and chemical processes, and analysis of simulation results through extensive comparison to observation. The team members' modules were integrated within a computational framework that allowed transportability and simulations on massively parallel computers. A unique aspect of this model framework is the ability to interchange and intercompare different submodules to assess the sensitivity of numerical algorithms and model assumptions to simulation results. In this paper, we discuss the important attributes of the GMI effort, describe the GMI model computational framework and the numerical modules representing physical and chemical processes. As an application of the concept, we illustrate an analysis of the impact of advection algorithms on the dispersion of a NO{sub y}-like source in the stratosphere which mimics that of a fleet of commercial supersonic transports (High-Speed Civil Transport (HSCT)) flying between 17 and 20 kilometers.

  6. Study of Fractal Features of Geomagnetic Activity Through an MHD Shell Model

    NASA Astrophysics Data System (ADS)

    Dominguez, M.; Nigro, G.; Munoz, V.; Carbone, V.

    2013-12-01

    Studies on complexity have been of great interest in plasma physics, because they provide new insights and reveal possible universalities on issues such as geomagnetic activity, turbulence in laboratory plasmas, physics of the solar wind, etc. [1, 2]. In particular, various studies have discussed the relationship between the fractal dimension, as a measure of complexity, and physical processes in magnetized plasmas such as the Sun's surface, the solar wind and the Earth's magnetosphere, including the possibility of forecasting geomagnetic activity [3, 4, 5]. Shell models are low dimensional dynamical models describing the main statistical properties of magnetohydrodynamic (MHD) turbulence [6]. These models allow us to describe extreme parameter conditions hence reaching very high Reynolds (Re) numbers. In this work a MHD shell model is used to describe the dissipative events which are taking place in the Earth's magnetosphere and causing geomagnetic storms. The box-counting fractal dimension (D) [7] is calculated for the time series of the magnetic energy dissipation rate obtained in this MHD shell model. We analyze the correlation between D and the energy dissipation rate in order to make a comparison with the same analysis made on the geomagnetic data. We show that, depending on the values of the viscosity and the diffusivity, the fractal dimension and the occurrence of bursts exhibit correlations similar as those observed in geomagnetic and solar data, [8] suggesting that the latter parameters could play a fundamental role in these processes. References [1] R. O. Dendy, S. C. Chapman, and M. Paczuski, Plasma Phys. Controlled Fusion 49, A95 (2007). [2] T. Chang and C. C. Wu, Phys. Rev. E 77, 045401 (2008). [3] R. T. J. McAteer, P. T. Gallagher, and J. Ireland, Astrophys. J. 631, 628 (2005). [4] V. M. Uritsky, A. J. Klimas, and D. Vassiliadis, Adv. Space Res. 37, 539 (2006). [5] S. C. Chapman, B. Hnat, and K. Kiyani, Nonlinear Proc. Geophys. 15, 445 (2008). [6] G

  7. Comparison of the pn quasiparticle RPA and shell model for Gamow-Teller beta and double-beta decays

    NASA Astrophysics Data System (ADS)

    Zhao, Liang; Brown, B. Alex

    1993-06-01

    We examine the validity of the pn quasiparticle RPA (pnQRPA) as a model for calculating β+ and 2νββ Gamow-Teller decays by making a comparison of the pnQRPA with a large-basis shell-model calculation within the 0f1p shell. We employ A=46 nuclei (those with six valence nucleons) for this comparison. Our comparison includes the decay matrix elements summed over final states, the strength distributions, and, for the first time, the coherent transition matrix elements (CTME). The pnQRPA overestimates the total β+ and 2νββ matrix elements. There are large differences in the shape of the spectra as well as in the CTME between the pnQRPA and shell-model results. Empirical improvements for the pnQRPA are discussed.

  8. Comparison of the [ital pn] quasiparticle RPA and shell model for Gamow-Teller beta and double-beta decays

    SciTech Connect

    Zhao, L.; Brown, B.A. )

    1993-06-01

    We examine the validity of the [ital pn] quasiparticle RPA ([ital pn]QRPA) as a model for calculating [beta][sup +] and 2[nu][beta][beta] Gamow-Teller decays by making a comparison of the [ital pn]QRPA with a large-basis shell-model calculation within the 0[ital f]1[ital p] shell. We employ [ital A]=46 nuclei (those with six valence nucleons) for this comparison. Our comparison includes the decay matrix elements summed over final states, the strength distributions, and, for the first time, the coherent transition matrix elements (CTME). The [ital pn]QRPA overestimates the total [beta][sup +] and 2[nu][beta][beta] matrix elements. There are large differences in the shape of the spectra as well as in the CTME between the [ital pn]QRPA and shell-model results. Empirical improvements for the [ital pn]QRPA are discussed.

  9. Sudden Lifetime Drop Phenomena and their Effective Cures in PF-ring and PF-AR

    NASA Astrophysics Data System (ADS)

    Tanimoto, Yasunori; Honda, Tohru; Uchiyama, Takashi; Nogami, Takashi

    2010-06-01

    In PF-ring and PF-AR, sudden drops in the electron beam lifetime, which are attributed to dust trapping, were frequently observed after extensive renewals of the storage rings. The reduced-lifetime state sometimes lasts for a few hours, and the mitigation of this problem was strongly demanded for stable user operations. Since a major source of dust particles was thought to be a distributed ion pump (DIP), we attempted switching the DIPs off during user operations in both the rings. As a result, occurrence of the lifetime drops was almost completely suppressed during single-bunch mode in PF-ring, while the occurrence frequency was reduced by only 38% in PF-AR. We found that the lifetime drops were sometimes accompanied by a transient increase in the vacuum pressure at some discharge-prone devices. Based on the hypothesis that the harmful dust could be generated by an electric discharge in vacuum, we attempted the conditioning of these devices in PF-AR by storing 25% higher current than usual. By combination of the DIP-OFF operation and the high-current conditioning, the occurrence frequency of the lifetime drops in PF-AR was reduced by no less than 67%.

  10. Test and Analysis of 4 Technology Quadrupole Shell (TQS) models for LARP

    SciTech Connect

    Caspi, S.; Ambrosio, G.; Andreev, A.N.; Barzi, E.; Bossert, R.; Dietderich, D. R.; Felice, H.; Ferracin, P.; Ghosh, A.; Hafalia, A. R.; Lietzke, A. F.; Novitski, I.; Sabbi, G.L.; Zlobin, A.V.

    2008-06-01

    Test results are reported on TQS02a, a second model in support of the development of a large-aperture Nb{sub 3}Sn superconducting quadrupole for the US LHC Accelerator Research Program (LARP). The magnet uses key and bladder technology with supporting iron yoke and an aluminum shell. Changes from the previous first model (tested in 2006) include: (1) Titanium island poles; (2) no axial island gaps during reaction; and (3) RRP Nb3Sn conductor. Design changes resulted from previous tests with three different magnet assemblies (TQS01a, TQS01b and TQS01c) using coils with bronze segmented islands, with gaps and MJR conductor The paper summarizes the assembly, cool-down and performance of TQS01a, TQS01b, TQS01c, and TQS02 and compares measurements with design expectations.

  11. Effective Operators Within the Ab Initio No-Core Shell Model

    SciTech Connect

    Stetcu, I; Barrett, B R; Navratil, P; Vary, J P

    2004-11-30

    We implement an effective operator formalism for general one- and two-body operators, obtaining results consistent with the no-core shell model (NCSM) wave functions. The Argonne V8' nucleon-nucleon potential was used in order to obtain realistic wave functions for {sup 4}He, {sup 6}Li and {sup 12}C. In the NCSM formalism, we compute electromagnetic properties using the two-body cluster approximation for the effective operators and obtain results which are sensitive to the range of the bare operator. To illuminate the dependence on the range, we employ a Gaussian two-body operator of variable range, finding weak renormalization of long range operators (e.g., quadrupole) in a fixed model space. This is understood in terms of the two-body cluster approximation which accounts mainly for short-range correlations. Consequently, short range operators, such as the relative kinetic energy, will be well renormalized in the two-body cluster approximation.

  12. A time-dependent model for plasma spectroscopy of K-shell emitters.

    NASA Astrophysics Data System (ADS)

    Lee, R. W.; Larsen, J. T.

    1996-10-01

    The purpose of this report is to provide information on the suite of computer codes called FLY that allow one to understand the plasma spectroscopy of K-shell emitters. The code suite provides the basics for designing and/or analysing experiments where single-electron spectra are to be observed. The models incorporated are capable of generating information on lithium-like, helium-like and hydrogenic species from Z = 2 to 26, i.e., from helium to iron. This restriction in atomic number is dictated by the availability of data and interest in these elements. The code suite runs on any UNIX workstation or PC, thus allowing access to fairly sophisticated models while providing graphical output of populations, intensities, optical depths, as well as detailed spectra including Stark broadened transitions.

  13. Neutrino-Nucleus Reactions at MeV Region based on New Shell-Model Hamiltonians

    SciTech Connect

    Suzuki, Toshio

    2011-11-23

    Neutrino-nucleus reactions at MeV region are evaluated by using new shell model Hamiltonians, which are found to improve the description of spin degrees of freedom in nuclei as well as shell evolutions. The light element synthesis by neutrino processes in supernova explosions is discussed with the use of the new reaction cross sections for {sup 12}C and {sup 4}He. Possible constraints on the mixing angle {theta}{sub 13} and the neutrino mass hierarchy are pointed out to be imposed by the production yields of {sup 7}Li and {sup 11}B. Spin-dipole transition strengths in {sup 16}O and neutrino-induced reactions on {sup 16}O are investigated with the new improved Hamiltonian. The Gamow-Teller transition strength in {sup 56}Ni for the new Hamiltonian, which is more fragmented compared to previous calculations, is found to lead to the enhancement of the production yield of {sup 55}Mn in population III stars.

  14. Mixed models and reduction method for dynamic analysis of anisotropic shells

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Peters, J. M.

    1985-01-01

    A time-domain computational procedure is presented for predicting the dynamic response of laminated anisotropic shells. The two key elements of the procedure are: (1) use of mixed finite element models having independent interpolation (shape) functions for stress resultants and generalized displacements for the spatial discretization of the shell, with the stress resultants allowed to be discontinuous at interelement boundaries; and (2) use of a dynamic reduction method, with the global approximation vectors consisting of the static solution and an orthogonal set of Lanczos vectors. The dynamic reduction is accomplished by means of successive application of the finite element method and the classical Rayleigh-Ritz technique. The finite element method is first used to generate the global approximation vectors. Then the Rayleigh-Ritz technique is used to generate a reduced system of ordinary differential equations in the amplitudes of these modes. The temporal integration of the reduced differential equations is performed by using an explicit half-station central difference scheme (Leap-frog method). The effectiveness of the proposed procedure is demonstrated by means of a numerical example and its advantages over reduction methods used with the displacement formulation are discussed.

  15. Mixed models and reduction method for dynamic analysis of anisotropic shells

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Peters, J. M.

    1985-01-01

    A time-domain computational procedure is presented for predicting the dynamic response of laminated anisotropic shells. The two key elements of the procedure are: (1) use of mixed finite element models having independent interpolation (shape) functions for stress resultants and generalized displacements for the spatial discretization of the shell, with the stress resultants allowed to be discontinuous at interelement boundaries; and (2) use of a dynamic reduction method, with the global approximation vectors consisting of the static solution and an orthogonal set of Lanczos vectors. The dynamic reduction is accomplished by means of successive application of the finite element method and the classical Rayleigh-Ritz technique. The finite element method is first used to generate the global approximation vectors. Then the Rayleigh-Ritz technique is used to generate a reduced system of ordinary differential equations in the amplitudes of these modes. The temporal integration of the reduced differential equations is performed by using an explicit half-station central difference scheme (Leap-frog method). The effectiveness of the proposed procedure is demonstrated by means of a numerical example and its advantages over reduction methods used with the displacement formulation are discussed.

  16. Evolution of helical perturbations in a thin-shell model of an imploding liner

    SciTech Connect

    Ryutov, D. D.; Dorf, M. A.

    2014-11-15

    A thin-shell model of the liner stability has been revisited and applied to the stability of the helical perturbations. Several stages of the implosion have been identified, starting from a long initial “latent” phase of an almost resting liner, continuing to the second stage of a rapid contraction and significant perturbation growth, and then transitioning to the third stage where perturbations become ballistic and highly non-linear. The stage of stagnation and rebound is beyond the scope of this paper. An importance of vorticity conservation during the late stages is emphasized. Nonlinear evolution of perturbations is followed up to the point of the formation of cusp structures. Effects of in-surface flows and of their enhancement due to the vorticity conservation are discussed. It is shown that the pre-machined perturbations created only on the outer surface of the liner grow much slower than one could anticipate. The limitations on the thin-shell description are discussed.

  17. Shell model study of T =0 states for 96Cd by the nucleon-pair approximation

    NASA Astrophysics Data System (ADS)

    Fu, G. J.; Cheng, Y. Y.; Zhao, Y. M.; Arima, A.

    2016-08-01

    In this paper we study the nucleon-pair approximation for T =0 states of 96Cd in the 1 p1 /21 p3 /20 f5 /20 g9 /2 shell with the JUN45 interaction. The lowest seniority scheme and the isoscalar spin-one pair approximation are not enough to describe the states. The isoscalar spin-aligned pair approximation is reasonably good for the yrast 2+, 4+, 6+, 12+, 14+, and 16+ states as pointed out previously. Not only the yrast positive-parity states but also nonyrast states and negative-parity states are well described by both the isovector pair approximation and the isoscalar pair approximation. We calculate overlaps between nucleon-pair basis states and shell-model wave functions. The largest overlaps and the corresponding nucleon-pair basis states are presented. We find that isovector spin-zero pairs, isovector spin-two pairs, and isoscalar spin-aligned pairs are the dominant building blocks in these states.

  18. Spatio-kinematic modelling of Abell 65, a double-shelled planetary nebula with a binary central star

    NASA Astrophysics Data System (ADS)

    Huckvale, L.; Prouse, B.; Jones, D.; Lloyd, M.; Pollacco, D.; López, J. A.; O'Brien, T. J.; Sabin, L.; Vaytet, N. M. H.

    2013-09-01

    We present the first detailed spatio-kinematical analysis and modelling of the planetary nebula Abell 65, which is known to host a post-common envelope, binary, central star system. As such, this object is of great interest in studying the link between nebular morphology and central star binarity. [O III]5007 Å and Hα+[N II]6584 Å longslit spectra and imagery of Abell 65 were obtained with the Manchester Échelle Spectrometer on the 2.1-m telescope at the San Pedro Martír Observatory (MES-SPM). Further [O III]5007 Å longslit spectra were obtained with the Ultraviolet and Visual Échelle Spectrograph on the Very Large Telescope (VLT-UVES). These data were used to develop a spatio-kinematical model for the [O III]5007 Å emission from Abell 65. A `best-fitting' model was found by comparing synthetic spectra and images rendered from the model to the data. The model comprises an outer shell and an inner shell, with kinematical ages of 15000 ± 5000 yr kpc-1 and 8000 ± 3000 yr kpc-1, respectively. Both shells have peanut-shaped bipolar structures with symmetry axes at inclinations of (55 ± 10)° (to the line of sight) for the outer shell and (68 ± 10)° for the inner shell. The near alignment between the nebular shells and the binary orbital inclination [of (68 ± 2)°] is strongly indicative that the binary is responsible for shaping the nebula. Abell 65 is one of a growing number of planetary nebulae (seven to date, including Abell 65 itself) for which observations and modelling support the shaping influence of a central binary.

  19. Myosin B of Plasmodium falciparum (PfMyoB): in silico prediction of its three-dimensional structure and its possible interaction with MTIP.

    PubMed

    Hernández, Paula C; Morales, Liliana; Castellanos, Isabel C; Wasserman, Moisés; Chaparro-Olaya, Jacqueline

    2017-04-01

    The mobility and invasion strategy of Plasmodium falciparum is governed by a protein complex known as the glideosome, which contains an actin-myosin motor. It has been shown that myosin A of the parasite (PfMyoA) is the myosin of the glideosome, and the interaction of PfMyoA with myosin tail domain interacting protein (MTIP) determines its correct location and its ability to function in the complex. Because PfMyoA and myosin B of P. falciparum (PfMyoB) share high sequence identity, are both small proteins without a tail domain, belong to the class XIV myosins, and are expressed in late schizonts and merozoites, we suspect that these myosins may have similar or redundant functions. Therefore, this work examined the structural similarity between PfMyoA and PfMyoB and performed a molecular docking between PfMyoB and MTIP. Three-dimensional (3D) models obtained for PfMyoA and PfMyoB achieved high scores in the structural validation programs used, and their superimposition revealed high structural similarity, supporting the hypothesis of possible similar functions for these two proteins. The 3D interaction models obtained and energy values found suggested that interaction between PfMyoB and MTIP is possible. Given the apparent abundance of PfMyoA relative to PfMyoB in the parasite, we believe that the interaction between PfMyoB and MTIP would only be detectable in specific cellular environments because under normal circumstances, it would be masked by the interaction between PfMyoA and MTIP.

  20. Malaria Protein Kinase CK2 (PfCK2) Shows Novel Mechanisms of Regulation

    PubMed Central

    Graciotti, Michele; Alam, Mahmood; Solyakov, Lev; Schmid, Ralf; Burley, Glenn; Bottrill, Andrew R.; Doerig, Christian; Cullis, Paul; Tobin, Andrew B.

    2014-01-01

    Casein kinase 2 (protein kinase CK2) is a conserved eukaryotic serine/theronine kinase with multiple substrates and roles in the regulation of cellular processes such as cellular stress, cell proliferation and apoptosis. Here we report a detailed analysis of the Plasmodium falciparum CK2, PfCK2, demonstrating that this kinase, like the mammalian orthologue, is a dual specificity kinase able to phosphorylate at both serine and tyrosine. However, unlike the human orthologue that is auto-phosphorylated on tyrosine within the activation loop, PfCK2 shows no activation loop auto-phosphorylation but rather is auto-phosphorylated at threonine 63 within subdomain I. Phosphorylation at this site in PfCK2 is shown here to regulate the intrinsic kinase activity of PfCK2. Furthermore, we generate an homology model of PfCK2 in complex with the known selective protein kinase CK2 inhibitor, quinalizarin, and in so doing identify key co-ordinating residues in the ATP binding pocket that could aid in designing selective inhibitors to PfCK2. PMID:24658579

  1. Accuracy of K-shell spectra modeling in high-density plasmas

    SciTech Connect

    Glenzer, S. H.; Decker, C.; Hammel, B. A.; Lee, R. W.; Lours, L.; Osterheld, A. L.

    2000-08-01

    We present spectroscopic measurements of the helium-like and lithium-like argon emission supported by Thomson scattering diagnostics on gas bag targets. These data provide critical tests of plasma spectroscopic K-shell models. In particular, we have measured the line radiation in the wavelength region of the He-like Ar 1s{sup 2}-1s3l transition (He-{beta}) that is of interest for density and temperature measurements of plasmas from gas-filled targets (n{sub e}{<=}10{sup 21} cm{sup -3}), laser ablation targets (n{sub e}{<=}10{sup 22} cm{sup -3}), and inertial confinement fusion capsule implosions (n{sub e}{>=}10{sup 24} cm{sup -3}). The spectra show lithium-like dielectronic satellites on the red wing of the He-{beta} line that are temperature sensitive and are known to influence the shape of the Stark-broadened line profiles observed from implosions. To examine the kinetics modeling of this complex, i.e., the He-{beta} and its associated satellites, we have performed experiments in gas bag plasmas at densities of (0.6-1.1)x10{sup 21} cm{sup -3} where we independently determine the electron temperature with ultraviolet Thomson scattering. The comparison of the satellite intensities with kinetics modeling shows good agreement for satellites whose upper states are populated by dielectronic capture, but shows discrepancies for inner-shell collisional excited transitions. (c) 2000 The American Physical Society.

  2. β-decay studies approaching the N=20 island of inversion with a new shell-model Hamiltonian

    NASA Astrophysics Data System (ADS)

    Jiang, WeiGuang; Hu, BaiShan; Xu, FuRong; Han, Rui; Hua, Hui

    2017-08-01

    β-decay properties of N=18-22, Z=10-14 nuclei are analyzed with a new shell-model Hamiltonian using the Gogny density-dependent interaction. The Gogny force which has been widely and successfully used in mean-field theory can provide reasonable two-body matrix elements for cross-shell calculations. The log ft values and β-decay level schemes are systematically studied using the D1S-Gogny interaction and compared with the SDPF-M results and experimental data. It is shown that the new Hamiltonian provides reliable results for β-decay along with subtle level schemes for this region. Shell-model calculations with Gogny interaction can lead to a successful description of nuclei in and around the N=20 island of inversion and supplements experiment where sufficient data are not available.

  3. Core-shell Rh-Pt nanocubes: A model for studying compressive strain effects in bimetallic nanocatalysts

    NASA Astrophysics Data System (ADS)

    Harak, Ethan William

    Shape-controlled bimetallic nanocatalysts often have increased activities and stabilities over their monometallic counterparts due to surface strain effects and electron transfer between the two metals. Here, we demonstrate that the degree of surface strain can be manipulated in shape-controlled nanocrystals through a bimetallic core shell architecture. This ability is achieved in a model core shell Rh Pt nanocube system through control of shell thickness. An increase in the Pt shell thickness leads to more compressive strain, which can increase the Pt 4f7/2 binding energy by as much as 0.13 eV. This change in electronic structure is correlated with a weakening of surface-adsorbate interactions, which we exploit to reduce catalyst poisoning by CO during formic acid electrooxidation. In fact, by precisely controlling the Pt shell thickness, the maximum current density achieved with Rh Pt nanocubes was 3.5 times greater than that achieved with similarly sized Pt nanocubes, with decreased CO generation as well. This system serves as a model for how bimetallic architectures can be used to manipulate the electronic structure of nanoparticle surfaces for efficient catalysis. The strategy employed here should enable the performance of bimetallic nanomaterials comprised of more cost-effective metals to be enhanced as well.

  4. Investigation of fine-structure dips in fission-fragment mass distribution: An asymmetric two centre shell model approach

    NASA Astrophysics Data System (ADS)

    Malik, Sham S.

    2017-04-01

    The fission fragment mass distribution followed by neutron emission is studied for the 208Pb (18O , f) reaction using the asymmetric two centre shell model. The measured mass distribution spectrum reveals new kind of systematics on shell structure and leads to an improved understanding of structure effects in nuclear fission. A detailed investigation of shell effects both in potential and cranking mass parameter has been carried out for explaining the observed fine structure dips (i.e., less probable distributions) corresponding to shell closure (Z = 50 and/or N = 82) of fission fragments and their complementary partners. The available energy states for the decay process are obtained by solving the Schrödinger equation and found that first-five eigenstates are sufficient in reproducing the observed mass distribution spectrum. An outcome of the asymmetric two centre shell model also completely favours the observed claim that ;the total number of emitted neutrons between correlated pairs of fission fragments should not exceed 6;. A complete observed spectrum is obtained by adding the mass distribution yields of all 6-neutron emission channels. This suggests a possible importance of extending these calculations to get new insight into an understanding of the dynamical behaviour of fragment formation in the fission process.

  5. Vibration characteristics of Z-ring-stiffened 60 deg conical shell models of a planetary entry spacecraft

    NASA Technical Reports Server (NTRS)

    Naumann, E. C.; Mixon, J. S.

    1971-01-01

    An experimental investigation of the vibration characteristics of a 60 deg conical shell model of a planetary entry vehicle is described and the results presented. Model configurations include the shell with or without one or two Z-ring stiffeners and with or without a simulated payload. Tests were conducted with the model clamped at the small diameter and with the model suspended at the simulated payload. Additionally, calculated results obtained from application of several analytical procedures reported in the literature are presented together with comparisons between experimental and calculated frequencies and meridional mode shapes. Generally, very good frequency agreement between experimental and calculated results was obtained for all model configurations. For small values of circumferential mode number, however, the frequency agreement decreased as the number of ring stiffeners increased. Overall agreement between experimental and calculated mode shapes was generally good. The calculated modes usually showed much larger curvatures in the vicinity of the rings than were observed in the experimentally measured mode shapes. Dual resonances associated with modal preference were noted for the shell without Z-ring stiffeners, whereas the addition of stiffeners produced resonances for which the model responded in two or more modes over different sections of the shell length.

  6. New HMBA lattice for PF-AR

    NASA Astrophysics Data System (ADS)

    Higashi, N.; Harada, K.; Kobayashi, Y.; Nagahashi, S.; Nakamura, N.; Ueda, A.

    2017-07-01

    Photon Factory Advanced Ring (PF-AR) has been operated for users about 30 years from 1987. The lattice and optics are almost not changed from the original one as the TRISTAN booster ring constructed in 1984. The lattice employs FODO structure and the horizontal emittance for the 6.5 GeV user run is about 300 nmrad. In order to improve the performance of PF-AR dramatically, the full replacement of the accelerator to the ESRF type HMBA (Hybrid multi bend achromat) lattice is examined. In order to geometrically fit the new lattice to the present PF-AR tunnel, the new ring consists of 12 cells with four long straight sections. The emittance is improved to about 500 pmrad at 3 GeV. With the present user experimental hall at the northern half of the ring, at least eight undulator beam lines can be constructed. The simulated dynamic aperture is about 1.5 cm at the long straight section with reasonable magnetic errors and COD correction. The Touschek lifetime is about 6 hours. The beam injection with conventional injection system is no problem and the beam lifetime is long enough.

  7. Comment on ``p-shell nuclei in a (0+2)ħω model space. I. Method'' and on ``p-shell nuclei in a (0+2)ħω model space. II. Results''

    NASA Astrophysics Data System (ADS)

    Millener, D. J.; Hayes, A. C.; Strottman, D.

    1992-01-01

    We point out that the shell-model calculations of Wolters, van Hees, and Glaudemans for the p-shell nuclei in a (0+2)ħω basis has several serious consistency problems, and we use the case of 16O to illustrate these problems. We discuss some limitations of the parametrization used for effective interaction, criticize the choice of experimental data used in the least-squares fit, and demonstrate that the resultant interaction exhibits some peculiar features which make it differ considerably from realistic interactions.

  8. A finite-temperature Hartree-Fock code for shell-model Hamiltonians

    NASA Astrophysics Data System (ADS)

    Bertsch, G. F.; Mehlhaff, J. M.

    2016-10-01

    The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree-Fock energy functional for a Hamiltonian supplied in a shell model basis. The functional to be minimized is the Hartree-Fock energy for zero-temperature properties or the Hartree-Fock grand potential for finite-temperature properties (thermal energy, entropy). The minimization may be subjected to additional constraints besides axial symmetry and nucleon numbers. A single-particle operator can be used to constrain the minimization by adding it to the single-particle Hamiltonian with a Lagrange multiplier. One can also constrain its expectation value in the zero-temperature code. Also the orbital filling can be constrained in the zero-temperature code, fixing the number of nucleons having given Kπ quantum numbers. This is particularly useful to resolve near-degeneracies among distinct minima.

  9. Nonlinear Shell Modeling of Thin Membranes with Emphasis on Structural Wrinkling

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; Sleight, David W.; Wang, John T.

    2003-01-01

    Thin solar sail membranes of very large span are being envisioned for near-term space missions. One major design issue that is inherent to these very flexible structures is the formation of wrinkling patterns. Structural wrinkles may deteriorate a solar sail's performance and, in certain cases, structural integrity. In this paper, a geometrically nonlinear, updated Lagrangian shell formulation is employed using the ABAQUS finite element code to simulate the formation of wrinkled deformations in thin-film membranes. The restrictive assumptions of true membranes, i.e. Tension Field theory (TF), are not invoked. Two effective modeling strategies are introduced to facilitate convergent solutions of wrinkled equilibrium states. Several numerical studies are carried out, and the results are compared with recent experimental data. Good agreement is observed between the numerical simulations and experimental data.

  10. Study of 242-248Cm isotopes in the projected shell model framework

    NASA Astrophysics Data System (ADS)

    Sadiq, Saiqa; Devi, Rani; Khosa, S. K.

    2016-04-01

    The projected shell model framework is employed to study the band spectra in 242-248Cm isotopes. The present calculations reproduce the available experimental data on the yrast bands. Besides this, B(E2) transition probabilities of even-even Cm isotopes have also been calculated. The low spin states of yrast band are seen to arise purely from zero-quasi-particle (o-qp) intrinsic states whereas the high spin states have multi-quasi-particle structure. For the odd-neutron (odd-N) isotopes, the calculated results qualitatively reproduce the available data on ground and lowest excited state bands for 243,245Cm. However, for 247Cm the negative-parity ground state band is in reasonable agreement with the experimental data.

  11. Wave propagation in protein microtubules modeled as orthotropic elastic shells including transverse shear deformations.

    PubMed

    Daneshmand, Farhang; Ghavanloo, Esmaeal; Amabili, Marco

    2011-07-07

    Wave propagation along the microtubules is one of the issues of major concern in various microtubule cellular functions. In this study, the general wave propagation behavior in protein microtubules is investigated based on a first-order shear deformation shell theory for orthotropic materials, with particular emphasis on the role of strongly anisotropic elastic properties of microtubules. According to experimental observation, the first-order shear deformation theory is used for the modeling of microtubule walls. A general displacement representation is introduced and a type of coupled polynomial eigenvalue problem is developed. Numerical examples describe the effects of shear deformation and rotary inertia on wave velocities in orthotropic microtubules. Finally, the influences of the microtubule shear modulus, axial external force, effective thickness and material temperature dependency on wave velocities along the microtubule protofilaments, helical pathway and radial directions are elucidated. Most results presented in the present investigation have been absent from the literature for the wave propagation in microtubules.

  12. Infrared length scale and extrapolations for the no-core shell model

    DOE PAGES

    Wendt, K. A.; Forssén, C.; Papenbrock, T.; ...

    2015-06-03

    In this paper, we precisely determine the infrared (IR) length scale of the no-core shell model (NCSM). In the NCSM, the A-body Hilbert space is truncated by the total energy, and the IR length can be determined by equating the intrinsic kinetic energy of A nucleons in the NCSM space to that of A nucleons in a 3(A-1)-dimensional hyper-radial well with a Dirichlet boundary condition for the hyper radius. We demonstrate that this procedure indeed yields a very precise IR length by performing large-scale NCSM calculations for 6Li. We apply our result and perform accurate IR extrapolations for bound statesmore » of 4He, 6He, 6Li, and 7Li. Finally, we also attempt to extrapolate NCSM results for 10B and 16O with bare interactions from chiral effective field theory over tens of MeV.« less

  13. Experimental investigation of shell-model excitations of 89Zr up to high spin

    NASA Astrophysics Data System (ADS)

    Saha, S.; Palit, R.; Sethi, J.; Trivedi, T.; Srivastava, P. C.; Kumar, S.; Naidu, B. S.; Donthi, R.; Jadhav, S.; Biswas, D. C.; Garg, U.; Goswami, A.; Jain, H. C.; Joshi, P. K.; Mukherjee, G.; Naik, Z.; Nag, S.; Nanal, V.; Pillay, R. G.; Saha, S.; Singh, A. K.

    2012-09-01

    Near yrast states in 89Zr were investigated up to high spin using the fusion evaporation reaction 80Se(13C, 4n) at an incident beam energy of 50 MeV. Excited levels of 89Zr have been observed up to ˜10 MeV excitation energy and spin ˜37/2ℏ using the prompt gamma spectroscopy technique with the Indian National Gamma Array (INGA). The angular distribution, directional correlation, and polarization measurements were carried out to assign the spin and parity of the newly reported states. The structures of both the positive and negative parity states up to highest spin observed in the present experiment have been compared with shell-model calculations using two recently developed residual interactions, JUN45 and jj44b. The role of proton excitations from p3/2 and f5/2 orbitals to the g9/2 orbital for the higher spin states has been discussed.

  14. Realistic shell-model calculations and exotic nuclei around {sup 132}Sn

    SciTech Connect

    Covello, A.; Itaco, N.; Coraggio, L.; Gargano, A.

    2008-11-11

    We report on a study of exotic nuclei around doubly magic {sup 132}Sn in terms of the shell model employing a realistic effective interaction derived from the CD-Bonn nucleon-nucleon potential. The short-range repulsion of the latter is renormalized by constructing a smooth low-momentum potential, V{sub low-k}, that is used directly as input for the calculation of the effective interaction. In this paper, we focus attention on proton-neutron multiplets in the odd-odd nuclei {sup 134}Sb, {sup 136}Sb. We show that the behavior of these multiplets is quite similar to that of the analogous multiplets in the counterpart nuclei in the {sup 208}Pb region, {sup 210}Bi and {sup 212}Bi.

  15. Constrained-path quantum Monte Carlo approach for non-yrast states within the shell model

    NASA Astrophysics Data System (ADS)

    Bonnard, J.; Juillet, O.

    2016-04-01

    The present paper intends to present an extension of the constrained-path quantum Monte Carlo approach allowing to reconstruct non-yrast states in order to reach the complete spectroscopy of nuclei within the interacting shell model. As in the yrast case studied in a previous work, the formalism involves a variational symmetry-restored wave function assuming two central roles. First, it guides the underlying Brownian motion to improve the efficiency of the sampling. Second, it constrains the stochastic paths according to the phaseless approximation to control sign or phase problems that usually plague fermionic QMC simulations. Proof-of-principle results in the sd valence space are reported. They prove the ability of the scheme to offer remarkably accurate binding energies for both even- and odd-mass nuclei irrespective of the considered interaction.

  16. Nuclear structure of 76Ge from inelastic neutron scattering measurements and shell model calculations

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, S.; Crider, B. P.; Brown, B. A.; Ashley, S. F.; Chakraborty, A.; Kumar, A.; McEllistrem, M. T.; Peters, E. E.; Prados-Estévez, F. M.; Yates, S. W.

    2017-01-01

    The low-lying, low-spin levels of 76Ge were studied with the (n ,n'γ ) reaction. Gamma-ray excitation function measurements were performed at incident neutron energies from 1.6 to 3.7 MeV, and γ -ray angular distributions were measured at neutron energies of 3.0 and 3.5 MeV. From these measurements, level spins, level lifetimes, γ -ray intensities, and multipole mixing ratios were determined. No evidence for a number of previously placed levels was found. Below 3.3 MeV, many new levels were identified, and the level scheme was re-evaluated. The B (E 2 ) values support low-lying band structure. The 2+ mixed-symmetry state has been identified for the first time. A comparison of the level characteristics with large-scale shell model calculations yielded excellent agreement.

  17. Rotational structure of the odd-proton nuclide 171Tm: A projected shell model study

    NASA Astrophysics Data System (ADS)

    Liu, YanXin; Chen, FangQi; Yu, ShaoYing; Sun, Yang

    2015-05-01

    Deformed odd-mass nuclei are ideal examples where the interplay between single-particle and collective degrees of freedom can be studied. Inspired by the recent experimental high-spin data in the odd-proton nuclide 171Tm, we perform projected shell model (PSM) calculations to investigate structure of the ground band and other bands based on isomeric states. In addition to the usual quadrupole-quadrupole force in the Hamiltonian, we employ the hexadecapole-hexadecapole ( HH) interaction, in a self-consistent way with the hexadecapole deformation of the deformed basis. It is found that the known experimental data can be well described by the PSM calculation. The effect of the HH force on the quasiparticle isomeric states is discussed.

  18. Sp(3, R) decomposition of the SU(3) no-core shell model basis

    NASA Astrophysics Data System (ADS)

    Luo, Fengqiao; Caprio, Mark A.; Dytrych, Tomas

    2014-03-01

    Numerical evidence shows an important role of the symplectic Sp(3, R) symmetry in the ab initio no-core shell model results for light nuclei. Therefore, the construction of symplectic states from SU(3) states is necessary, as a prerequisite and crucial step of understanding the symplectic symmetry for those nuclei. This presentation will provide an introduction to our numerical calculation that decomposes the basis states of Sp(3, R) irreducible representations in terms of SU(3) nuclear basis. We use the null space of the Sp(3, R) generator B (02) to find the extremal states, and then ladder them with the generator A (20) to build the entire irreps. Supported by the Research Corporation for Science Advancement under a Cottrell Scholar Award, by the US DOE under grants DE-FG02-95ER-40934 and DE-SC0005248, and by the US NSF under grant OCI-0904874.

  19. Shell model analysis of the neutrinoless double-{beta} decay of {sup 48}Ca

    SciTech Connect

    Horoi, Mihai; Stoica, Sabin

    2010-02-15

    The neutrinoless double-{beta} (0{nu}{beta}{beta}) decay process could provide crucial information to determine the absolute scale of neutrino masses, and it is the only one that can establish whether a neutrino is a Dirac or a Majorana particle. A key ingredient for extracting the absolute neutrino masses from 0{nu}{beta}{beta} decay experiments is a precise knowledge of the nuclear matrix elements (NMEs) describing the half-life of this process. We developed a shell model approach for computing the 0{nu}{beta}{beta} decay NME, and we used it to analyze the 0{nu}{beta}{beta} mode of {sup 48}Ca. The dependence of the NME on the short-range correlation parameters, on the average energy of the intermediate states, on the finite-size cutoff parameters, and on the effective interaction used for many-body calculations is discussed.

  20. Large-scale shell model study of the newly found isomer in 136La

    NASA Astrophysics Data System (ADS)

    Teruya, E.; Yoshinaga, N.; Higashiyama, K.; Nishibata, H.; Odahara, A.; Shimoda, T.

    2016-07-01

    The doubly-odd nucleus 136La is theoretically studied in terms of a large-scale shell model. The energy spectrum and transition rates are calculated and compared with the most updated experimental data. The isomerism is investigated for the first 14+ state, which was found to be an isomer in the previous study [Phys. Rev. C 91, 054305 (2015), 10.1103/PhysRevC.91.054305]. It is found that the 14+ state becomes an isomer due to a band crossing of two bands with completely different configurations. The yrast band with the (ν h11/2 -1⊗π h11 /2 ) configuration is investigated, revealing a staggering nature in M 1 transition rates.

  1. Stagnant-lid convection in large versus small-core spherical shells: implications for modeling the Moon and Galilean satellites

    NASA Astrophysics Data System (ADS)

    Guerrero, J. M.; Lowman, J. P.; Deschamps, F.; Tackley, P.

    2016-12-01

    Convection in the silicate mantles of rocky planets and moons or cryo-shells of icy satellites, occurs in a range of geometries defined by the ratio of the bounding radii of the convecting layer. Previous studies have mapped the onset of stagnant-lid convection (SLC) in variable curvature three-dimensional shells featuring different thermal viscosity contrasts and thermal energy input. While parameterizations were determined for shells with core-to-surface radii ratios (f) greater than or equal to 0.5, stagnant-lid cases were not found for shells with f < 0.5. In the present study we analyze the onset of stagnant-lid convection for a variety of curvatures including relatively small core shells with f=0.3 or 0.4 for both purely bottom heated and bimodally heated systems. We first distill the effect of curvature employing a temperature dependent Frank-Kamenetskii rheology in a 2D spherical annulus. The mobility M, the ratio of rms-surface to rms-volume averaged velocity is used to determine the onset of SLC (defined by M < 0.01). Contrary to convection in a plane-layer, as viscosity contrast is first increased, spherical shells exhibit a curvature dependent decrease in convective vigour before effective Rayleigh number monotonically increases. We identify the parameters that allow for a transition to stagnant-lid convection in small core bodies and show a divergence in the diagnostics found for 2D annulus and 3D spherical shell convection as f is decreased. Finally, we discuss the effect of curvature on stresses at the base of the stagnant-lid and show that stress increases in small core bodies when all other parameters are held fixed. Our findings are relevant to understanding and accurately modeling the processes that may exist in bodies that have been inferred to possess relatively small cores, such as the Moon and Galilean satellites.

  2. Ab Initio Description of Open-Shell Nuclei: Merging No-Core Shell Model and In-Medium Similarity Renormalization Group.

    PubMed

    Gebrerufael, Eskendr; Vobig, Klaus; Hergert, Heiko; Roth, Robert

    2017-04-14

    We merge two successful ab initio nuclear-structure methods, the no-core shell model (NCSM) and the multireference in-medium similarity renormalization group (IM-SRG) to define a new many-body approach for the comprehensive description of ground and excited states of closed and open-shell nuclei. Building on the key advantages of the two methods-the decoupling of excitations at the many-body level in the IM-SRG and the access to arbitrary nuclei, eigenstates, and observables in the NCSM-their combination enables fully converged no-core calculations for an unprecedented range of nuclei and observables at moderate computational cost. We present applications in the carbon and oxygen isotopic chains, where conventional NCSM calculations are still feasible and provide an important benchmark. The efficiency and rapid convergence of the new approach make it ideally suited for ab initio studies of the complete spectroscopy of nuclei up into the medium-mass regime.

  3. Ab Initio Description of Open-Shell Nuclei: Merging No-Core Shell Model and In-Medium Similarity Renormalization Group

    NASA Astrophysics Data System (ADS)

    Gebrerufael, Eskendr; Vobig, Klaus; Hergert, Heiko; Roth, Robert

    2017-04-01

    We merge two successful ab initio nuclear-structure methods, the no-core shell model (NCSM) and the multireference in-medium similarity renormalization group (IM-SRG) to define a new many-body approach for the comprehensive description of ground and excited states of closed and open-shell nuclei. Building on the key advantages of the two methods—the decoupling of excitations at the many-body level in the IM-SRG and the access to arbitrary nuclei, eigenstates, and observables in the NCSM—their combination enables fully converged no-core calculations for an unprecedented range of nuclei and observables at moderate computational cost. We present applications in the carbon and oxygen isotopic chains, where conventional NCSM calculations are still feasible and provide an important benchmark. The efficiency and rapid convergence of the new approach make it ideally suited for ab initio studies of the complete spectroscopy of nuclei up into the medium-mass regime.

  4. A statistical model for monitoring shell disease in inshore lobster fisheries: A case study in Long Island Sound.

    PubMed

    Tanaka, Kisei R; Belknap, Samuel L; Homola, Jared J; Chen, Yong

    2017-01-01

    The expansion of shell disease is an emerging threat to the inshore lobster fisheries in the northeastern United States. The development of models to improve the efficiency and precision of existing monitoring programs is advocated as an important step in mitigating its harmful effects. The objective of this study is to construct a statistical model that could enhance the existing monitoring effort through (1) identification of potential disease-associated abiotic and biotic factors, and (2) estimation of spatial variation in disease prevalence in the lobster fishery. A delta-generalized additive modeling (GAM) approach was applied using bottom trawl survey data collected from 2001-2013 in Long Island Sound, a tidal estuary between New York and Connecticut states. Spatial distribution of shell disease prevalence was found to be strongly influenced by the interactive effects of latitude and longitude, possibly indicative of a geographic origin of shell disease. Bottom temperature, bottom salinity, and depth were also important factors affecting the spatial variability in shell disease prevalence. The delta-GAM projected high disease prevalence in non-surveyed locations. Additionally, a potential spatial discrepancy was found between modeled disease hotspots and survey-based gravity centers of disease prevalence. This study provides a modeling framework to enhance research, monitoring and management of emerging and continuing marine disease threats.

  5. A statistical model for monitoring shell disease in inshore lobster fisheries: A case study in Long Island Sound

    PubMed Central

    Chen, Yong

    2017-01-01

    The expansion of shell disease is an emerging threat to the inshore lobster fisheries in the northeastern United States. The development of models to improve the efficiency and precision of existing monitoring programs is advocated as an important step in mitigating its harmful effects. The objective of this study is to construct a statistical model that could enhance the existing monitoring effort through (1) identification of potential disease-associated abiotic and biotic factors, and (2) estimation of spatial variation in disease prevalence in the lobster fishery. A delta-generalized additive modeling (GAM) approach was applied using bottom trawl survey data collected from 2001–2013 in Long Island Sound, a tidal estuary between New York and Connecticut states. Spatial distribution of shell disease prevalence was found to be strongly influenced by the interactive effects of latitude and longitude, possibly indicative of a geographic origin of shell disease. Bottom temperature, bottom salinity, and depth were also important factors affecting the spatial variability in shell disease prevalence. The delta-GAM projected high disease prevalence in non-surveyed locations. Additionally, a potential spatial discrepancy was found between modeled disease hotspots and survey-based gravity centers of disease prevalence. This study provides a modeling framework to enhance research, monitoring and management of emerging and continuing marine disease threats. PMID:28196150

  6. Stability of nonrotating stellar systems. II - Prolate shell-orbit models

    NASA Astrophysics Data System (ADS)

    Merritt, David; Hernquist, Lars

    1991-08-01

    The dynamical stability of nonrotating prolate galaxy models constructed from thin long-axis tube orbits ('shell' orbits) are investigated. Models more elongated than about E6 (axis ratio of about 2:5) are unstable to bending modes than rapidly increase the velocity dispersion perpendicular to the long axis and decrease the model's elongation. Approximate representations of the spatial forms of the fastest growing modes and their growth rates are obtained. Most of the evolution is due to two modes: a symmetric (banana-shaped) bending and an antisymmetric (S-shaped) bending. The instability is similar to the 'firehose' instability of a thin self-gravitating slab, except that it persists in models with velocity anisotropies that are much less extreme than the critical value for instability of the slab. A simple model is given that reproduces the basic features of the instability in the prolate geometry. These results provide support for the hypothesis of Fridman and Polyachenko (1984) that the absence of elliptical galaxies flatter than about E6 is due to dynamical instability.

  7. Thermal electron attachment to NF3, PF3, and PF5

    NASA Astrophysics Data System (ADS)

    Miller, Thomas M.; Friedman, Jeffrey F.; Stevens Miller, Amy E.; Paulson, John F.

    1995-11-01

    A flowing-afterglow Langmuir-probe apparatus was used to measure rate constants (ka) for electron attachment to NF3 and PF5 over the temperature range T = 300-550 K. Electron attachment to NF3 is dissociative and produces only F- ionic product in the temperature range studied. At room temperature, ka(NF3) = 7 ± 4 × 10-12 cm3 s-1. The temperature dependence of ka(NF3) above 340 K is characterized by an activation energy of 0.30 ± 0.06 eV. Attachment to PF5 is nondissociative in a helium buffer at pressures in the range 53-160 Pa (0.4-1.2 Torr). The rate constant ka(PF5) is 1.0 ± 0.4 × 10-10 cm3 s-1 at 300 K and is approximately temperature independent over much of the temperature range studied. PF3 does not attach electrons in this temperature range. Upper limits to ka(PF3) were determined (and attributed to impurities): ka < 1 × 10-12 cm3 s-1 at 296 K and ka < 1 × 10-10 cm3 s-1 at 550 K. The electron attachment rate constants measured in the present work are so small that corrections were required to account for electron/ion recombination contribution to the observed decay of the electron density in the plasma.

  8. Effect of Powdered Shells of the Snail Megalobulimus lopesi on Secondary-Intention Wound Healing in an Animal Model

    PubMed Central

    Andrade, Paulo Henrique Muleta; Schmidt Rondon, Eric; Carollo, Carlos Alexandre; Rodrigues Macedo, Maria Lígia; Viana, Luiz Henrique; Schiaveto de Souza, Albert; Turatti Oliveira, Carolina; Cepa Matos, Maria de Fatima

    2015-01-01

    Topical administration of powdered shells of the land snail Megalobulimus lopesi was evaluated in Wistar rats for their healing activity in an excision wound model. The animals were distributed into three groups—G1 (control): no therapeutic intervention; G2 (vehicle controls): Lanette cream once daily; G3 (experimental animals): treated with powdered shells. Variables investigated were: wound area contraction, angiogenic activity, morphometric data, leukocytic inflammatory infiltrate, and total leukocyte count in peripheral blood. Thermogravimetric analysis and quantification and characterization of powdered shell proteins were also performed. Wound area on days 3, 7, and 14 was smaller in G3, besides presenting wound closure on day 21 for all these animals. Topical administration of the powdered shells also led to an increased number of vessels at the wound site, higher leukocyte counts in peripheral blood, and increased leukocytic inflammatory infiltrate. The results lend support to the southern Brazilian folk use of M. lopesi powdered shells, as shown by the enhanced secondary-intention healing achieved with their topical administration to wounds in rats. Topical administration caused inflammatory response modulation, crucial to accelerating the healing process, the chronification of which increases the risks of wound contamination by opportunistic pathogens. PMID:25821475

  9. Fluctuating shells under pressure

    PubMed Central

    Paulose, Jayson; Vliegenthart, Gerard A.; Gompper, Gerhard; Nelson, David R.

    2012-01-01

    Thermal fluctuations strongly modify the large length-scale elastic behavior of cross-linked membranes, giving rise to scale-dependent elastic moduli. Whereas thermal effects in flat membranes are well understood, many natural and artificial microstructures are modeled as thin elastic shells. Shells are distinguished from flat membranes by their nonzero curvature, which provides a size-dependent coupling between the in-plane stretching modes and the out-of-plane undulations. In addition, a shell can support a pressure difference between its interior and its exterior. Little is known about the effect of thermal fluctuations on the elastic properties of shells. Here, we study the statistical mechanics of shape fluctuations in a pressurized spherical shell, using perturbation theory and Monte Carlo computer simulations, explicitly including the effects of curvature and an inward pressure. We predict novel properties of fluctuating thin shells under point indentations and pressure-induced deformations. The contribution due to thermal fluctuations increases with increasing ratio of shell radius to thickness and dominates the response when the product of this ratio and the thermal energy becomes large compared with the bending rigidity of the shell. Thermal effects are enhanced when a large uniform inward pressure acts on the shell and diverge as this pressure approaches the classical buckling transition of the shell. Our results are relevant for the elasticity and osmotic collapse of microcapsules. PMID:23150558

  10. Synthesis and characterization of model silica-gold core-shell nanohybrid systems to demonstrate plasmonic enhancement of fluorescence

    NASA Astrophysics Data System (ADS)

    Roy, Shibsekhar; Dixit, Chandra K.; Woolley, Robert; O'Kennedy, Richard; McDonagh, Colette

    2012-08-01

    In this work, gold-silica plasmonic nanohybrids have been synthesized as model systems which enable tuning of dye fluorescence enhancement/quenching interactions. For each system, a dye-doped silica core is surrounded by a 15 nm spacer region, which in turn is surrounded by gold nanoparticles (GNPs). The GNPs are either covalently conjugated via mercapto silanization to the spacer or encapsulated in a separate external silica shell. The intermediate spacer region can be either dye doped or left undoped to enable quenching and plasmonic enhancement effects respectively. The study indicates that there is a larger enhancement effect when GNPs are encapsulated in the outer shell compared to the system of external conjugation. This is due to the environmental shielding provided by shell encapsulation compared to the exposure of the GNPs to the solvent environment for the externally conjugated system. The fluorescence signal enhancement of the nanohybrid systems was evaluated using a standard HRP-anti-HRP fluorescence based assay platform.

  11. A substructuring approach for modeling the acoustic scattering from stiffened submerged shells coupled to non-axisymmetric internal structures.

    PubMed

    Meyer, Valentin; Maxit, Laurent; Audoly, Christian

    2016-09-01

    The scattered pressure from a stiffened axisymmetric submerged shell impinged by acoustic plane waves has been investigated experimentally, analytically and through numerical models. In the case where the shell is periodically stiffened, it is shown that helical, Bragg, and Bloch-Floquet waves can propagate. The influence of non-axisymmetric internal frames on these scattering phenomena is nevertheless not well known, as it can considerably increase the computational cost. To overcome this issue, the condensed transfer function (CTF) method, which has been developed to couple subsystems along linear junctions in the case of a mechanical excitation, is extended to acoustical excitations. It consists in approximating transfer functions on the junctions and deducing the behavior of the coupled system using the superposition principle and the continuity equations at the junctions. In particular, the CTF method can be used to couple a dedicated model of an axisymmetric stiffened submerged shell with non-axisymmetric internal structures modeled by the finite element method. Incident plane waves are introduced in the formulation and far-field reradiated pressure is estimated. An application consisting of a stiffened shell with curved plates connecting the ribs is considered. Supplementary Bloch-Floquet trajectories are observed in the frequency-angle spectrum and are explained using a simplified interference model.

  12. A reduced order model for fluid-structure interaction of thin shell structures conveying fluid for physiological applications

    NASA Astrophysics Data System (ADS)

    Chang, Gary Han; Modarres-Sadeghi, Yahya

    2015-11-01

    In this work, a reduced-order model (ROM) is constructed to study fluid-structure interaction of thin shell structures conveying fluid. The method of snapshot Proper Orthogonal Decomposition (POD) is used to construct the reduced-order bases based on a series of CFD results, which then are improved using a QR-factorization technique to satisfy the various boundary conditions in physiological flow problems. In the process, two sets of POD modes are extracted: those due to the shell wall's motion and those due to the pulsatile flow. The Modal Assurance Criterion (MAC) technique is used for selecting the final POD modes used in the reduced-order model. The structure model is solved by Galerkin's method and the FSI coupling is done by adapting a coupled momentum method. The results show that the dynamic behavior of thin shells conveying fluid is closely related to the distribution of the shell's Gaussian curvature, the existence of imperfections and the physiological flow conditions. This method can effectively construct a computationally efficient FSI model, which allows us to examine a wide range of parameters which exist in real-life physiological problems.

  13. Panel-Stiffener Debonding and Analysis Using a Shell/3D Modeling Technique

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; Ratcliffe, James G.; Minguet, Pierre J.

    2007-01-01

    A shear loaded, stringer reinforced composite panel is analyzed to evaluate the fidelity of computational fracture mechanics analyses of complex structures. Shear loading causes the panel to buckle. The resulting out-of-plane deformations initiate skin/stringer separation at the location of an embedded defect. The panel and surrounding load fixture were modeled with shell elements. A small section of the stringer foot, web and noodle as well as the panel skin near the delamination front were modeled with a local 3D solid model. Across the width of the stringer foot, the mixed-mode strain energy release rates were calculated using the virtual crack closure technique. A failure index was calculated by correlating the results with a mixed-mode failure criterion of the graphite/epoxy material. The objective was to study the effect of the fidelity of the local 3D finite element model on the computed mixed-mode strain energy release rates and the failure index.

  14. Panel Stiffener Debonding Analysis using a Shell/3D Modeling Technique

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; Ratcliffe, James G.; Minguet, Pierre J.

    2008-01-01

    A shear loaded, stringer reinforced composite panel is analyzed to evaluate the fidelity of computational fracture mechanics analyses of complex structures. Shear loading causes the panel to buckle. The resulting out -of-plane deformations initiate skin/stringer separation at the location of an embedded defect. The panel and surrounding load fixture were modeled with shell elements. A small section of the stringer foot, web and noodle as well as the panel skin near the delamination front were modeled with a local 3D solid model. Across the width of the stringer fo to, the mixed-mode strain energy release rates were calculated using the virtual crack closure technique. A failure index was calculated by correlating the results with a mixed-mode failure criterion of the graphite/epoxy material. The objective was to study the effect of the fidelity of the local 3D finite element model on the computed mixed-mode strain energy release rates and the failure index.

  15. Mathematical Modeling of Dual Layer Shell Type Recuperation System for Biogas Dehumidification

    NASA Astrophysics Data System (ADS)

    Gendelis, S.; Timuhins, A.; Laizans, A.; Bandeniece, L.

    2015-12-01

    The main aim of the current paper is to create a mathematical model for dual layer shell type recuperation system, which allows reducing the heat losses from the biomass digester and water amount in the biogas without any additional mechanical or chemical components. The idea of this system is to reduce the temperature of the outflowing gas by creating two-layered counter-flow heat exchanger around the walls of biogas digester, thus increasing a thermal resistance and the gas temperature, resulting in a condensation on a colder surface. Complex mathematical model, including surface condensation, is developed for this type of biogas dehumidifier and the parameter study is carried out for a wide range of parameters. The model is reduced to 1D case to make numerical calculations faster. It is shown that latent heat of condensation is very important for the total heat balance and the condensation rate is highly dependent on insulation between layers and outside temperature. Modelling results allow finding optimal geometrical parameters for the known gas flow and predicting the condensation rate for different system setups and seasons.

  16. Finite-element modeling of layered, anisotropic composite plates and shells: A review of recent research

    NASA Technical Reports Server (NTRS)

    Reddy, J. N.

    1981-01-01

    Finite element papers published in the open literature on the static bending and free vibration of layered, anisotropic, and composite plates and shells are reviewed. A literature review of large-deflection bending and large-amplitude free oscillations of layered composite plates and shells is also presented. Non-finite element literature is cited for continuity of the discussion.

  17. Finite-element modeling of layered, anisotropic composite plates and shells: A review of recent research

    NASA Technical Reports Server (NTRS)

    Reddy, J. N.

    1981-01-01

    Finite element papers published in the open literature on the static bending and free vibration of layered, anisotropic, and composite plates and shells are reviewed. A literature review of large-deflection bending and large-amplitude free oscillations of layered composite plates and shells is also presented. Non-finite element literature is cited for continuity of the discussion.

  18. Strain changes on the cortical shell of vertebral bodies due to spine ageing: a parametric study using a finite element model evaluated by strain measurements.

    PubMed

    Lu, Yongtao; Rosenau, Eike; Paetzold, Helge; Klein, Anke; Püschel, Klaus; Morlock, Michael M; Huber, Gerd

    2013-12-01

    The probability of fractures of the cortical shell of vertebral bodies increases as ageing progresses. Ageing involves all the spinal component changes. However, the effect of the spinal component ageing on the fracture risk of the cortical shell remains poorly understood. In this study, the influence of the ageing of the spinal components on cortical shell strain was investigated. A lumbar spinal specimen (L3-L5) was mechanically tested under a quasi-static axial compressive load. Clinical computed tomography images of the same specimen were used to create a corresponding finite element model. The material properties were determined by calibrating the finite element model using the L4 cortical shell strains of the anterior centre measurement site. The remaining experiment data (axial displacement, the intra-discal pressures, L4 cortical shell strain on the lateral measurement site) were used to evaluate the model. The individual ageing process of the six spinal components (cortical shell, cancellous bone, bony endplate, posterior elements, nucleus pulposus and annulus matrix) was simulated by changing their Young's moduli and Poisson's ratios, and the effect on cortical shell strain was investigated. Results show that the cortical shell strain is more sensitive to the ageing of the cortical shell and the cancellous bone than to the ageing of the nucleus pulposus, the annulus matrix, and the bony endplates and of the posterior elements. The results can help the clinicians focus on the aspects that mainly influence the vertebral cortex fracture risk factor.

  19. Phase field modeling of brittle fracture for enhanced assumed strain shells at large deformations: formulation and finite element implementation

    NASA Astrophysics Data System (ADS)

    Reinoso, J.; Paggi, M.; Linder, C.

    2017-02-01

    Fracture of technological thin-walled components can notably limit the performance of their corresponding engineering systems. With the aim of achieving reliable fracture predictions of thin structures, this work presents a new phase field model of brittle fracture for large deformation analysis of shells relying on a mixed enhanced assumed strain (EAS) formulation. The kinematic description of the shell body is constructed according to the solid shell concept. This enables the use of fully three-dimensional constitutive models for the material. The proposed phase field formulation integrates the use of the (EAS) method to alleviate locking pathologies, especially Poisson thickness and volumetric locking. This technique is further combined with the assumed natural strain method to efficiently derive a locking-free solid shell element. On the computational side, a fully coupled monolithic framework is consistently formulated. Specific details regarding the corresponding finite element formulation and the main aspects associated with its implementation in the general purpose packages FEAP and ABAQUS are addressed. Finally, the applicability of the current strategy is demonstrated through several numerical examples involving different loading conditions, and including linear and nonlinear hyperelastic constitutive models.

  20. Phase field modeling of brittle fracture for enhanced assumed strain shells at large deformations: formulation and finite element implementation

    NASA Astrophysics Data System (ADS)

    Reinoso, J.; Paggi, M.; Linder, C.

    2017-06-01

    Fracture of technological thin-walled components can notably limit the performance of their corresponding engineering systems. With the aim of achieving reliable fracture predictions of thin structures, this work presents a new phase field model of brittle fracture for large deformation analysis of shells relying on a mixed enhanced assumed strain (EAS) formulation. The kinematic description of the shell body is constructed according to the solid shell concept. This enables the use of fully three-dimensional constitutive models for the material. The proposed phase field formulation integrates the use of the (EAS) method to alleviate locking pathologies, especially Poisson thickness and volumetric locking. This technique is further combined with the assumed natural strain method to efficiently derive a locking-free solid shell element. On the computational side, a fully coupled monolithic framework is consistently formulated. Specific details regarding the corresponding finite element formulation and the main aspects associated with its implementation in the general purpose packages FEAP and ABAQUS are addressed. Finally, the applicability of the current strategy is demonstrated through several numerical examples involving different loading conditions, and including linear and nonlinear hyperelastic constitutive models.

  1. Finite element modeling of shell shape in the freshwater turtle Pseudemys concinna reveals a trade-off between mechanical strength and hydrodynamic efficiency.

    PubMed

    Rivera, Gabriel; Stayton, C Tristan

    2011-10-01

    Aquatic species can experience different selective pressures on morphology in different flow regimes. Species inhabiting lotic regimes often adapt to these conditions by evolving low-drag (i.e., streamlined) morphologies that reduce the likelihood of dislodgment or displacement. However, hydrodynamic factors are not the only selective pressures influencing organismal morphology and shapes well suited to flow conditions may compromise performance in other roles. We investigated the possibility of morphological trade-offs in the turtle Pseudemys concinna. Individuals living in lotic environments have flatter, more streamlined shells than those living in lentic environments; however, this flatter shape may also make the shells less capable of resisting predator-induced loads. We tested the idea that "lotic" shell shapes are weaker than "lentic" shell shapes, concomitantly examining effects of sex. Geometric morphometric data were used to transform an existing finite element shell model into a series of models corresponding to the shapes of individual turtles. Models were assigned identical material properties and loaded under identical conditions, and the stresses produced by a series of eight loads were extracted to describe the strength of the shells. "Lotic" shell shapes produced significantly higher stresses than "lentic" shell shapes, indicating that the former is weaker than the latter. Females had significantly stronger shell shapes than males, although these differences were less consistent than differences between flow regimes. We conclude that, despite the potential for many-to-one mapping of shell shape onto strength, P. concinna experiences a trade-off in shell shape between hydrodynamic and mechanical performance. This trade-off may be evident in many other turtle species or any other aquatic species that also depend on a shell for defense. However, evolution of body size may provide an avenue of escape from this trade-off in some cases, as changes in

  2. Analysis of Composite Panel-Stiffener Debonding Using a Shell/3D Modeling Technique

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; Ratcliffe, James; Minguet, Pierre J.

    2007-01-01

    Interlaminar fracture mechanics has proven useful for characterizing the onset of delaminations in composites and has been used successfully primarily to investigate onset in fracture toughness specimens and laboratory size coupon type specimens. Future acceptance of the methodology by industry and certification authorities, however, requires the successful demonstration of the methodology on the structural level. For this purpose, a panel was selected that is reinforced with stiffeners. Shear loading causes the panel to buckle, and the resulting out-of-plane deformations initiate skin/stiffener separation at the location of an embedded defect. A small section of the stiffener foot, web and noodle as well as the panel skin in the vicinity of the delamination front were modeled with a local 3D solid model. Across the width of the stiffener foot, the mixedmode strain energy release rates were calculated using the virtual crack closure technique. A failure index was calculated by correlating the results with a mixed-mode failure criterion of the graphite/epoxy material. Computed failure indices were compared to corresponding results where the entire web was modeled with shell elements and only a small section of the stiffener foot and panel were modeled locally with solid elements. Including the stiffener web in the local 3D solid model increased the computed failure index. Further including the noodle and transition radius in the local 3D solid model changed the local distribution across the width. The magnitude of the failure index decreased with increasing transition radius and noodle area. For the transition radii modeled, the material properties used for the noodle area had a negligible effect on the results. The results of this study are intended to be used as a guide for conducting finite element and fracture mechanics analyses of delamination and debonding in complex structures such as integrally stiffened panels.

  3. Symmetry-Adapted Ab Initio Shell Model for Nuclear Structure Calculations

    NASA Astrophysics Data System (ADS)

    Draayer, J. P.; Dytrych, T.; Launey, K. D.; Langr, D.

    2012-05-01

    An innovative concept, the symmetry-adapted ab initio shell model, that capitalizes on partial as well as exact symmetries that underpin the structure of nuclei, is discussed. This framework is expected to inform the leading features of nuclear structure and reaction data for light and medium mass nuclei, which are currently inaccessible by theory and experiment and for which predictions of modern phenomenological models often diverge. We use powerful computational and group-theoretical algorithms to perform ab initio CI (configuration-interaction) calculations in a model space spanned by SU(3) symmetry-adapted many-body configurations with the JISP16 nucleon-nucleon interaction. We demonstrate that the results for the ground states of light nuclei up through A = 16 exhibit a strong dominance of low-spin and high-deformation configurations together with an evident symplectic structure. This, in turn, points to the importance of using a symmetry-adapted framework, one based on an LS coupling scheme with the associated spatial configurations organized according to deformation.

  4. Comparison of shell model results for some properties of even-even Ge isotopes

    SciTech Connect

    Robinson, S. J. Q.; Zamick, L.; Sharon, Y. Y.

    2011-02-15

    We examine two recent effective shell model interactions, JUN45 and JJ4B, that have been proposed for use in the f{sub 5/2},p{sub 3/2},p{sub 1/2},g{sub 9/2} model space for both protons and neutrons. We calculate a number of quantities that did not enter into the fits undertaken to fix the parameters of both interactions. In particular we consider the static quadrupole moments (Q's) of excited states of the even-even {sup 70-76}Ge isotopes, as well as the B(E2) values in these nuclei. (We previously studied {sup 70}Zn isotopes using JJ4B.) Some striking disagreements between the JUN45 predictions and the experimental results had already been noted for the quadrupole moments of the 2{sub 1}{sup +} states, Q(2{sub 1}{sup +})'s, of these nuclei. We investigate whether these discrepancies also occur for the JJ4B interaction. Subsequently, we also apply both interactions to calculate the Q's of some more highly excited states and compare the two sets of predictions regarding the nature of the nuclear states under consideration. We seek to understand the measured signs of the Q(2{sub 1}{sup +})'s in the isotopic Ge chain by looking at a simple single-Jshell model and also at the collective vibrational and rotational pictures.

  5. General N=2 supersymmetric quantum mechanical model: Supervariable approach to its off-shell nilpotent symmetries

    SciTech Connect

    Krishna, S.; Shukla, A.; Malik, R.P.

    2014-12-15

    Using the supersymmetric (SUSY) invariant restrictions on the (anti-)chiral supervariables, we derive the off-shell nilpotent symmetries of the general one (0+1)-dimensional N=2 SUSY quantum mechanical (QM) model which is considered on a (1, 2)-dimensional supermanifold (parametrized by a bosonic variable t and a pair of Grassmannian variables θ and θ-bar with θ{sup 2}=(θ-bar){sup 2}=0,θ(θ-bar)+(θ-bar)θ=0). We provide the geometrical meanings to the two SUSY transformations of our present theory which are valid for any arbitrary type of superpotential. We express the conserved charges and Lagrangian of the theory in terms of the supervariables (that are obtained after the application of SUSY invariant restrictions) and provide the geometrical interpretation for the nilpotency property and SUSY invariance of the Lagrangian for the general N=2 SUSY quantum theory. We also comment on the mathematical interpretation of the above symmetry transformations. - Highlights: • A novel method has been proposed for the derivation of N=2 SUSY transformations. • General N=2 SUSY quantum mechanical (QM) model with a general superpotential, is considered. • The above SUSY QM model is generalized onto a (1, 2)-dimensional supermanifold. • SUSY invariant restrictions are imposed on the (anti-)chiral supervariables. • Geometrical meaning of the nilpotency property is provided.

  6. Cohesive Elements for Shells

    NASA Technical Reports Server (NTRS)

    Davila, Carlos G.; Camanho, Pedro P.; Turon, Albert

    2007-01-01

    A cohesive element for shell analysis is presented. The element can be used to simulate the initiation and growth of delaminations between stacked, non-coincident layers of shell elements. The procedure to construct the element accounts for the thickness offset by applying the kinematic relations of shell deformation to transform the stiffness and internal force of a zero-thickness cohesive element such that interfacial continuity between the layers is enforced. The procedure is demonstrated by simulating the response and failure of the Mixed Mode Bending test and a skin-stiffener debond specimen. In addition, it is shown that stacks of shell elements can be used to create effective models to predict the inplane and delamination failure modes of thick components. The results indicate that simple shell models can retain many of the necessary predictive attributes of much more complex 3D models while providing the computational efficiency that is necessary for design.

  7. The fractal dimension of cell membrane correlates with its capacitance: A new fractal single-shell model

    SciTech Connect

    Wang Xujing; Becker, Frederick F.; Gascoyne, Peter R. C.

    2010-12-15

    The scale-invariant property of the cytoplasmic membrane of biological cells is examined by applying the Minkowski-Bouligand method to digitized scanning electron microscopy images of the cell surface. The membrane is found to exhibit fractal behavior, and the derived fractal dimension gives a good description of its morphological complexity. Furthermore, we found that this fractal dimension correlates well with the specific membrane dielectric capacitance derived from the electrorotation measurements. Based on these findings, we propose a new fractal single-shell model to describe the dielectrics of mammalian cells, and compare it with the conventional single-shell model (SSM). We found that while both models fit with experimental data well, the new model is able to eliminate the discrepancy between the measured dielectric property of cells and that predicted by the SSM.

  8. The fractal dimension of cell membrane correlates with its capacitance: A new fractal single-shell model

    PubMed Central

    Wang, Xujing; Becker, Frederick F.; Gascoyne, Peter R. C.

    2010-01-01

    The scale-invariant property of the cytoplasmic membrane of biological cells is examined by applying the Minkowski–Bouligand method to digitized scanning electron microscopy images of the cell surface. The membrane is found to exhibit fractal behavior, and the derived fractal dimension gives a good description of its morphological complexity. Furthermore, we found that this fractal dimension correlates well with the specific membrane dielectric capacitance derived from the electrorotation measurements. Based on these findings, we propose a new fractal single-shell model to describe the dielectrics of mammalian cells, and compare it with the conventional single-shell model (SSM). We found that while both models fit with experimental data well, the new model is able to eliminate the discrepancy between the measured dielectric property of cells and that predicted by the SSM. PMID:21198103

  9. Evidence for Symplectic Symmetry in AbInitio No-Core Shell Model Results for Light Nuclei

    NASA Astrophysics Data System (ADS)

    Dytrych, Tomáš; Sviratcheva, Kristina D.; Bahri, Chairul; Draayer, Jerry P.; Vary, James P.

    2007-04-01

    Clear evidence for symplectic symmetry in low-lying states of C12 and O16 is reported. Eigenstates of C12 and O16, determined within the framework of the no-core shell model using the J-matrix inverse scattering potential with A≤16 (JISP16) nucleon-nucleon (NN) realistic interaction, typically project at the 85% 90% level onto a few of the most deformed symplectic basis states that span only a small fraction of the full model space. The results are nearly independent of whether the bare or renormalized effective interactions are used in the analysis. The outcome confirms Elliott’s SU(3) model which underpins the symplectic scheme, and above all, points to the relevance of a symplectic no-core shell model that can reproduce experimental B(E2) values without effective charges as well as deformed spatial modes associated with clustering phenomena in nuclei.

  10. Kinetics modelling of Cu(II) biosorption on to coconut shell and Moringa oleifera seeds from tropical regions.

    PubMed

    Acheampong, Mike A; Pereira, Joana P C; Meulepas, Roel J W; Lens, Piet N L

    2012-01-01

    Adsorption kinetic studies are of great significance in evaluating the performance of a given adsorbent and gaining insight into the underlying mechanism. This work investigated the sorption kinetics of Cu(II) on to coconut shell and Moringa oleifera seeds using batch techniques. To understand the mechanisms of the biosorption process and the potential rate-controlling steps, kinetic models were used to fit the experimental data. The results indicate that kinetic data were best described by the pseudo-second-order model with correlation coefficients (R2) of 0.9974 and 0.9958 for the coconut shell and Moringa oleifera seeds, respectively. The initial sorption rates obtained for coconut shell and Moringa oleifera seeds were 9.6395 x 10(-3) and 8.3292 x 10(-2) mg g(-1) min(-1), respectively. The values of the mass transfer coefficients obtained for coconut shell (1.2106 x 10(-3) cm s(-1)) and Moringa oleifera seeds (8.965 x 10(-4) cm s(-1)) indicate that the transport of Cu(II) from the bulk liquid to the solid phase was quite fast for both materials investigated. The results indicate that intraparticle diffusion controls the rate of sorption in this study; however, film diffusion cannot be neglected, especially at the initial stage of sorption.

  11. Palm oil fruit shells as biosorbent for copper removal from water and wastewater: experiments and sorption models.

    PubMed

    Hossain, M A; Ngo, H H; Guo, W S; Nguyen, T V

    2012-06-01

    Palm oil fruit shells were evaluated as a new bioadsorbent to eliminate toxic copper from water and wastewater. Without any chemical treatment, palm oil fruit shells were washed, dried and grounded into powder (<75 μm) for use in the experiments. Characterization showed mesopore based bioadsorbent was prepared from palm oil fruit shells. The results indicate that the highest Cu removal efficiency was found in an aqueous solution with pH of 6.5. The equilibrium sorption capacity of copper was significantly high (between 28 and 60 mg/g) at room temperature. Nonlinear regression analyses for isotherm models revealed that three-parameter isotherms had a better fit to the experimental data (R(2)>0.994) than that of two-parameter isotherms. The copper sorption system was heterogeneous as the values of exponents were lying between 0 and 1. The highly correlated pseudo-second-order kinetics model (R(2)>0.998) ascertained the applicability of copper removal by palm oil fruit shells.

  12. Refinement of Modeling Techniques for the Structural Evaluation of Hanford Single-Shell Nuclear Waste Storage Tanks - 12288

    SciTech Connect

    Karri, Naveen K.; Rinker, Michael W.; Johnson, Kenneth I.; Bapanapalli, Satish K.

    2012-07-01

    The single-shell tanks at the Hanford Site (in Washington State, USA) were constructed between 1943 and 1964 and are well beyond their estimated 25 year design life. This article discusses the structural analysis approach and modeling challenges encountered during the ongoing analysis of record for evaluating the structural integrity of the single-shell tanks. There are several geometrical and material nonlinearities and uncertainties to be dealt with while performing the modern finite element analysis of these tanks. The analysis takes into account the temperature history of the tanks and allowable mechanical operating loads for proper estimation of creep strains and thermal degradation of material properties. The loads prescribed in the analysis of record models also include anticipated loads that may occur during waste retrieval and closure. Due to uncertainty in a number of modeling details, sensitivity studies were conducted to address questions related to boundary conditions that realistically or conservatively represent the influence of surrounding tanks in a tank farm, the influence of backfill excavation slope, the extent of backfill and the total extent of undisturbed soil surrounding the backfill. Because of the limited availability of data on the thermal and operating history for many of the individual tanks, some of the data was assumed or interpolated. However, the models developed for the analysis of record represent the bounding scenarios and include the loading conditions that the tanks were subjected to or anticipated. The modeling refinement techniques followed in the analysis of record resulted in conservative estimates for force and moment demands at various sections in the concrete tanks. This article discusses the modeling aspects related to Type-II and Type-III single-shell tanks. The modeling techniques, methodology and evaluation criteria developed for evaluating the structural integrity of single-shell tanks at Hanford are in general

  13. Investigation on the adsorption capability of egg shell membrane towards model textile dyes.

    PubMed

    Arami, Mokhtar; Yousefi Limaee, Nargess; Mahmoodi, Niyaz Mohammad

    2006-12-01

    Adsorption isotherms of Direct Red 80 (DR80) and Acid Blue 25 (AB25) on the egg shell membrane (ESM) were performed at 20+/-1 degrees C. Physical characteristics of ESM such as surface area and presence of functional groups were verified. The Fourier transform infra-red (FTIR) spectra proved the presence of functional groups such as hydroxyl, amine and carbonyl groups in ESM. The surface area of ESM was found to be 2.2098 m(2)/g. The effects of operational parameters such as initial dye concentration, pH(0), contact time, particle size and ESM doses were studied. The Langmuir, Freundlich, BET, Redlich-Peterson and Temkin adsorption models were applied to describe the equilibrium isotherms. The pseudo-first-order and pseudo-second-order kinetics models were examined to evaluate the kinetics data at different pH(0) values (2-12) and the rate constants were calculated. Maximum desorption of 81.8% was achieved for both dyes in aqueous solution at pH(0) 12. Also scanning electron micrographs (SEM) of the treated and untreated adsorbent were performed. Results indicate that ESM could be employed as a natural and Eco-Friendly adsorbent material for the removal of trace organics in solutions.

  14. Shell model study on the astrophysical neutron capture of 8Li

    NASA Astrophysics Data System (ADS)

    Ma, Hai-Liang; Dong, Bao-Guo; Yan, Yu-Liang; Zhang, Xi-Zhen

    2012-09-01

    The astrophysical important neutron capture of 8Li is investigated by combining the shell model and potential model. Three effective interactions, SFO, PSDMK2 and PSDWBP are used to calculate the spectroscopic factors and reaction widths. For the resonant capture from 8Li to the first continuum state of 9Li , the three effective interactions give similar neutron partial widths, and they are well compared with the experimental results. However, the calculated photon widths are over 5 times less than the previous estimate. This will make the substantial difference that, at high temperature, the direct capture mechanism still dominates. The calculated capture rates generally agree well with the experimental data. The uncertainty of calculated cross-sections and capture rates mainly results from the different prediction of spectroscopic factors for the three effective interactions. The total neutron capture rates in our calculations are less than 4300 cm3 mole-1 s-1 for T 9 < 5 which confirms that the main reaction flow will proceed through the reaction 8Li ( α, n) 11B in the stellar environments.

  15. Modeling adsorption kinetics of trichloroethylene onto biochars derived from soybean stover and peanut shell wastes.

    PubMed

    Ahmad, Mahtab; Lee, Sang Soo; Oh, Sang-Eun; Mohan, Dinesh; Moon, Deok Hyun; Lee, Young Han; Ok, Yong Sik

    2013-12-01

    Trichloroethylene (TCE) is one of the most hazardous organic pollutants in groundwater. Biochar produced from agricultural waste materials could serve as a novel carbonaceous adsorbent for removing organic contaminants from aqueous media. Biochars derived from pyrolysis of soybean stover at 300 °C and 700 °C (S-300 and S-700, respectively), and peanut shells at 300 °C and 700 °C (P-300 and P-700, respectively) were utilized as carbonaceous adsorbents to study batch aqueous TCE remediation kinetics. Different rate-based and diffusion-based kinetic models were adopted to understand the TCE adsorption mechanism on biochars. With an equilibrium time of 8-10 h, up to 69 % TCE was removed from water. Biochars produced at 700 °C were more effective than those produced at 300 °C. The P-700 and S-700 had lower molar H/C and O/C versus P-300 and S-300 resulting in high aromaticity and low polarity accompanying with high surface area and high adsorption capacity. The pseudo-second order and intraparticle diffusion models were well fitted to the kinetic data, thereby, indicating that chemisorption and pore diffusion were the dominating mechanisms of TCE adsorption onto biochars.

  16. Gamow-Teller Strength in the A=14 Multiplet: A Challenge to the Shell Model

    SciTech Connect

    Negret, A; Adachi, T; Barrett, B R; Baumer, C; den Berg, A v; Berg, G; von Brentano, P; Frekers, D; De Frenne, D; Fujita, H; Fujita, K; Fujita, Y; Grewe, E; Haefner, P; Harakeh, M; Hatanaka, K; Heyde, K; Hunyadi, M; Jacobs, E; Kalmykov, Y; Korff, A; Nakanishi, K; Navratil, P; von Neumann-Cosel, P; Popescu, L; Rakers, S; Richter, A; Ryezayeva, N; Sakemi, Y; Schevchenko, A; Shimbara, Y; Shimizu, Y; Tameshige, Y; Tamii, A; Uchida, M; Vary, J; Wortche, H; Yosoi, M; Zamick, L

    2006-08-07

    A new experimental approach to the famous problem of the anomalously slow Gamow-Teller (GT) transitions in the {beta} decay of the A = 14 multiplet is presented. The GT strength distributions to excited states in {sup 14}C and {sup 14}O was studied in high-resolution (d,{sup 2}He) and ({sup 3}He,t) charge-exchange reactions on {sup 14}N. No-core shell-model (NCSM) calculations capable of reproducing the suppression of the {beta} decays predict a selective excitation of J{sup {pi}} = 2{sup +} states. The experimental confirmation represents a validation of the assumptions about the underlying structure of the {sup 14}N ground state wave function. However, the fragmentation of the GT strength over three 2{sup +} final states remains a fundamental issue not explained by the present NCSM using a 6 {h_bar}{omega} model space, suggesting possibly the need to include cluster structure in these light nuclei in a consistent way.

  17. A Purine Analog Synergizes with Chloroquine (CQ) by Targeting Plasmodium falciparum Hsp90 (PfHsp90)

    PubMed Central

    Shahinas, Dea; Folefoc, Asongna; Taldone, Tony; Chiosis, Gabriela; Crandall, Ian; Pillai, Dylan R.

    2013-01-01

    Background Drug resistance, absence of an effective vaccine, and inadequate public health measures are major impediments to controlling Plasmodium falciparum malaria worldwide. The development of antimalarials to which resistance is less likely is paramount. To this end, we have exploited the chaperone function of P. falciparum Hsp90 (PfHsp90) that serves to facilitate the expression of resistance determinants. Methods The affinity and activity of a purine analogue Hsp90 inhibitor (PU-H71) on PfHsp90 was determined using surface plasmon resonance (SPR) studies and an ATPase activity assay, respectively. In vitro, antimalarial activity was quantified using flow cytometry. Interactors of PfHsp90 were determined by LC-MS/MS. In vivo studies were conducted using the Plasmodium berghei infection mouse model. Results PU-H71 exhibited antimalarial activity in the nanomolar range, displayed synergistic activity with chloroquine in vitro. Affinity studies reveal that the PfHsp90 interacts either directly or indirectly with the P. falciparum chloroquine resistance transporter (PfCRT) responsible for chloroquine resistance. PU-H71 synergized with chloroquine in the P.berghei mouse model of malaria to reduce parasitemia and improve survival. Conclusions We propose that the interaction of PfHsp90 with PfCRT may account for the observed antimalarial synergy and that PU-H71 is an effective adjunct for combination therapy. PMID:24098696

  18. Large basis ab initio shell model investigation of {sup 9}Be and {sup 11}Be

    SciTech Connect

    Forssen, C.; Navratil, P.; Ormand, W.E.; Caurier, E.

    2005-04-01

    We present the first ab initio structure investigation of the loosely bound {sup 11}Be nucleus, together with a study of the lighter isotope {sup 9}Be. The nuclear structure of these isotopes is particularly interesting because of the appearance of a parity-inverted ground state in {sup 11}Be. Our study is performed in the framework of the ab initio no-core shell model. Results obtained using four different, high-precision two-nucleon interactions, in model spaces up to 9({Dirac_h}/2{pi}){omega}, are shown. For both nuclei, and all potentials, we reach convergence in the level ordering of positive- and negative-parity spectra separately. Concerning their relative position, the positive-parity states are always too high in excitation energy, but a fast drop with respect to the negative-parity spectrum is observed when the model space is increased. This behavior is most dramatic for {sup 11}Be. In the largest model space we were able to reach, the 1/2{sup +} level has dropped down to become either the first or the second excited state, depending on which interaction we use. We also observe a contrasting behavior in the convergence patterns for different two-nucleon potentials and argue that a three-nucleon interaction is needed to explain the parity inversion. Furthermore, large-basis calculations of {sup 13}C and {sup 11}B are performed. This allows us to study the systematics of the position of the first unnatural-parity state in the N=7 isotone and the A=11 isobar. The {sup 11}B run in the 9({Dirac_h}/2{pi}){omega} model space involves a matrix with dimension exceeding 1.1x10{sup 9}, and is our largest calculation so far. We present results on binding energies, excitation spectra, level configurations, radii, electromagnetic observables, and {sup 10}Be+n overlap functions.

  19. Neotectonics of Asia: Thin-shell finite-element models with faults

    NASA Astrophysics Data System (ADS)

    Kong, Xianghong; Bird, Peter

    1994-07-01

    As India pushed into and beneath the south margin of Asia in Cenozoic time, it added a great volume of crust, which may have been (1) emplaced locally beneath Tibet, (2) distributed as regional crustal thickening of Asia, (3) converted to mantle eclogite by high-pressure metamorphism, or (4) extruded eastward to increase the area of Asia. The amount of eastward extrusion is especially controversial: plane-stress computer models of finite strain in a continuum lithosphere show minimal escape, while laboratory and theoretical plane-strain models of finite strain in a faulted lithosphere show escape as the dominant mode. We suggest computing the present (or neo)tectonics by use of the known fault network and available data on fault activity, geodesy, and stress to select the best model. We apply a new thin-shell method which can represent a faulted lithosphere of realistic rheology on a sphere, and provided predictions of present velocities, fault slip rates, and stresses for various trial rheologies and boundary conditions. To minimize artificial boundaries, the models include all of Asia east of 40 deg E and span 100 deg on the globe. The primary unknowns are the friction coefficient of faults within Asia and the amounts of shear traction applied to Asia in the Himalayan and oceanic subduction zones at its margins. Data on Quaternary fault activity prove to be most useful in rating the models. Best results are obtained with a very low fault friction of 0.085. This major heterogeneity shows that unfaulted continum models cannot be expected to give accurate simulations of the orogeny. But, even with such weak faults, only a fraction of the internal deformation is expressed as fault slip; this means that rigid microplate models cannot represent the kinematics either. A universal feature of the better models is that eastern China and southeast Asia flow rapidly eastward with respect to Siberia. The rate of escape is very sensitive to the level of shear traction in the

  20. Neotectonics of Asia: Thin-shell finite-element models with faults

    NASA Technical Reports Server (NTRS)

    Kong, Xianghong; Bird, Peter

    1994-01-01

    As India pushed into and beneath the south margin of Asia in Cenozoic time, it added a great volume of crust, which may have been (1) emplaced locally beneath Tibet, (2) distributed as regional crustal thickening of Asia, (3) converted to mantle eclogite by high-pressure metamorphism, or (4) extruded eastward to increase the area of Asia. The amount of eastward extrusion is especially controversial: plane-stress computer models of finite strain in a continuum lithosphere show minimal escape, while laboratory and theoretical plane-strain models of finite strain in a faulted lithosphere show escape as the dominant mode. We suggest computing the present (or neo)tectonics by use of the known fault network and available data on fault activity, geodesy, and stress to select the best model. We apply a new thin-shell method which can represent a faulted lithosphere of realistic rheology on a sphere, and provided predictions of present velocities, fault slip rates, and stresses for various trial rheologies and boundary conditions. To minimize artificial boundaries, the models include all of Asia east of 40 deg E and span 100 deg on the globe. The primary unknowns are the friction coefficient of faults within Asia and the amounts of shear traction applied to Asia in the Himalayan and oceanic subduction zones at its margins. Data on Quaternary fault activity prove to be most useful in rating the models. Best results are obtained with a very low fault friction of 0.085. This major heterogeneity shows that unfaulted continum models cannot be expected to give accurate simulations of the orogeny. But, even with such weak faults, only a fraction of the internal deformation is expressed as fault slip; this means that rigid microplate models cannot represent the kinematics either. A universal feature of the better models is that eastern China and southeast Asia flow rapidly eastward with respect to Siberia. The rate of escape is very sensitive to the level of shear traction in the

  1. Application of the line-spring model to a cylindrical shell containing a circumferential or axial part-through crack

    NASA Technical Reports Server (NTRS)

    Delale, F.; Erdogan, F.

    1981-01-01

    An approximate solution was obtained for a cylindrical shell containing a part-through surface crack. It was assumed that the shell contains a circumferential or axial semi-elliptic internal or external surface crack and was subjected to a uniform membrane loading or a uniform bending moment away from the crack region. A Reissner type theory was used to account for the effects of the transverse shear deformations. The stress intensity factor at the deepest penetration point of the crack was tabulated for bending and membrane loading by varying three dimensionless length parameters of the problem formed from the shell radius, the shell thickness, the crack length, and the crack depth. The upper bounds of the stress intensity factors are provided by the results of the elasticity solution obtained from the axisymmetric crack problem for the circumferential crack, and that found from the plane strain problem for a circular ring having a radial crack for the axial crack. The line-spring model gives the expected results in comparison with the elasticity solutions. Results also compare well with the existing finite element solution of the pressurized cylinder containing an internal semi-elliptic surface crack.

  2. A non-LTE kinetic model for quick analysis of K-shell spectra from Z-pinch plasmas

    SciTech Connect

    Li, J. Huang, X. B. Cai, H. C. Yang, L. B. Xie, W. P. Duan, S. C.

    2014-12-15

    Analyzing and modeling K-shell spectra emitted by low-to moderate-atomic number plasma is a useful and effective way to retrieve temperature density of z-pinch plasmas. In this paper, a non-LTE population kinetic model for quick analysis of K-shell spectra was proposed. The model contains ionization stages from bare nucleus to neutral atoms and includes all the important atomic processes. In the present form of the model, the plasma is assumed to be both optically thin and homogeneous with constant temperature and density, and only steady-state situation is considered. According to the detailed calculations for aluminum plasmas, contours of ratios of certain K-shell lines in electron temperature and density plane as well as typical synthesized spectra were presented and discussed. The usefulness of the model is demonstrated by analyzing the spectrum from a neon gas-puff Z-pinch experiment performed on a 1 MA pulsed-power accelerator.

  3. Analysis of Composite Skin-Stiffener Debond Specimens Using Volume Elements and a Shell/3D Modeling Technique

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; Minguet, Pierre J.; Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    The debonding of a skin/stringer specimen subjected to tension was studied using three-dimensional volume element modeling and computational fracture mechanics. Mixed mode strain energy release rates were calculated from finite element results using the virtual crack closure technique. The simulations revealed an increase in total energy release rate in the immediate vicinity of the free edges of the specimen. Correlation of the computed mixed-mode strain energy release rates along the delamination front contour with a two-dimensional mixed-mode interlaminar fracture criterion suggested that in spite of peak total energy release rates at the free edge the delamination would not advance at the edges first. The qualitative prediction of the shape of the delamination front was confirmed by X-ray photographs of a specimen taken during testing. The good correlation between prediction based on analysis and experiment demonstrated the efficiency of a mixed-mode failure analysis for the investigation of skin/stiffener separation due to delamination in the adherents. The application of a shell/3D modeling technique for the simulation of skin/stringer debond in a specimen subjected to three-point bending is also demonstrated. The global structure was modeled with shell elements. A local three-dimensional model, extending to about three specimen thicknesses on either side of the delamination front was used to capture the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from shell/3D simulations were in good agreement with results obtained from full solid models. The good correlations of the results demonstrated the effectiveness of the shell/3D modeling technique for the investigation of skin/stiffener separation due to delamination in the adherents.

  4. Variational Principles for Buckling of Microtubules Modeled as Nonlocal Orthotropic Shells

    PubMed Central

    2014-01-01

    A variational principle for microtubules subject to a buckling load is derived by semi-inverse method. The microtubule is modeled as an orthotropic shell with the constitutive equations based on nonlocal elastic theory and the effect of filament network taken into account as an elastic surrounding. Microtubules can carry large compressive forces by virtue of the mechanical coupling between the microtubules and the surrounding elastic filament network. The equations governing the buckling of the microtubule are given by a system of three partial differential equations. The problem studied in the present work involves the derivation of the variational formulation for microtubule buckling. The Rayleigh quotient for the buckling load as well as the natural and geometric boundary conditions of the problem is obtained from this variational formulation. It is observed that the boundary conditions are coupled as a result of nonlocal formulation. It is noted that the analytic solution of the buckling problem for microtubules is usually a difficult task. The variational formulation of the problem provides the basis for a number of approximate and numerical methods of solutions and furthermore variational principles can provide physical insight into the problem. PMID:25214886

  5. Another look at structure of gold clusters Aun from perspective of phenomenological shell model

    NASA Astrophysics Data System (ADS)

    Nhat, Pham Vu; Si, Nguyen Thanh; Leszczynski, Jerzy; Nguyen, Minh Tho

    2017-08-01

    Geometric, energetic and electronic properties of Aun clusters, n = 2-20 are determined using DFT calculations (BB95/cc-pVTZ-PP). Global equilibrium structures were confirmed or found, and the growth mechanism was established. Au-clusters prefer 2D-geometries up to Au11 and are generated from the lowest-lying isomer of the smaller size by adding an extra gold atom. Transition from an oblate form to a pyramid is observed at Au17. Aun containing 17-20 atoms favor tetrahedral evolution by adding atoms to the Frank-Kasper 16-vertex. Binding energy per atom, second-order difference of energy, and one-step fragmentation energy show that Au6 and Au20 have high thermodynamic stability. Their valence electrons of generate magic numbers that can be understood using the phenomenological shell model. Due to Jahn-Teller effect, Au16 is characterized by oblate structure whereas the anion Au16-exhibits Frank-Kasper form.

  6. Level structure of the shell-model nucleus [sup 217]At

    SciTech Connect

    Sheline, R.K. ); Liang, C.F.; Paris, P. )

    1995-03-01

    Alpha recoil separation of a large number of [sup 221]Fr sources from a pure almost massless source of [sup 225]Ac made possible the study of the level structure of [sup 217]At following alpha decay from [sup 221]Fr. Alphas in coincidence with all gammas and gammas and electrons in coincidence with [sup 221]Fr alphas were used in this study. The levels in [sup 217]At can be interpreted in terms of the [pi]([ital h][sub 9/2])[sup 3] [nu]([ital g][sub 9/2])[sup [minus]4], [pi]([ital h][sub 9/2])[sup 2] f[sub 7/2] [nu]([ital g][sub 9/2])[sup [minus]4], and [pi]([ital h][sub 9/2])[sup 2] [ital i][sub 13/2] [nu]([ital g][sub 9/2])[sup [minus]4] shell-model configurations. Considerable similarity in the configurations and energies of the states of [sup 217]At and [sup 215]At is observed. The only change is in the neutron part of the configurations where the particle'' partial configuration in [sup 215]At (...[nu]([ital g][sub 9/2])[sup 4]) is replaced by the hole'' partial configuration in [sup 217]At (...[nu]([ital g][sub 9/2])[sup [minus]4]). No evidence for parity doublets is found in [sup 217]At.

  7. Shear-lag model of diffusion-induced buckling of core-shell nanowires

    NASA Astrophysics Data System (ADS)

    Li, Yong; Zhang, Kai; Zheng, Bailin; Yang, Fuqian

    2016-07-01

    The lithiation and de-lithiation during the electrochemical cycling of lithium-ion batteries (LIBs) can introduce local deformation in the active materials of electrodes, resulting in the evolution of local stress and strain in the active materials. Understanding the structural degradation associated with lithiation-induced deformation in the active materials is one of the important steps towards structural optimization of the active materials used in LIBs. There are various degradation modes, including swelling, cracking, and buckling especially for the nanowires and nanorods used in LIBs. In this work, a shear-lag model and the theory of diffusion-induced stress are used to investigate diffusion-induced buckling of core-shell nanowires during lithiation. The critical load for the onset of the buckling of a nanowire decreases with the increase of the nanowire length. The larger the surface current density, the less the time is to reach the critical load for the onset of the buckling of the nanowire.

  8. Relativistic pseudospin symmetry and shell model Hamiltonians that conserve pseudospin symmetry

    SciTech Connect

    Ginocchio, Joseph N

    2010-09-21

    Professor Akito Arima and his colleagues discovered 'pseudospin' doublets forty-one years ago in spherical nuclei. These doublets were subsequently discovered in deformed nuclei. We show that pseudospin symmetry is an SU(2) symmetry of the Dirac Hamiltonian which occurs when the scalar and vector potentials are opposite in sign but equal in magnitude. This symmetry occurs independent of the shape of the nucleus: spherical, axial deformed, triaxial, and gamma unstable. We survey some of the evidence that pseudospin symmetry is approximately conserved for a Dirac Hamiltonian with realistic scalar and vector potentials by examining the energy spectra, the lower components of the Dirac eigenfunctions, the magnetic dipole and Gamow-Teller transitions in nuclei, the upper components of the Dirac eigenfunctions, and nucleon-nucleus scattering. We shall also suggest that pseudospin symmetry may have a fundamental origin in chiral symmetry breaking by examining QCD sum rules. Finally we derive the shell model Hamiltonians which conserve pseudospin and show that they involve tensor interactions.

  9. Refined similarity hypotheses in shell models of homogeneous turbulence and turbulent convection.

    PubMed

    Ching, Emily S C; Guo, H; Lo, T S

    2008-08-01

    A major challenge in turbulence research is to understand from first principles the origin of the anomalous scaling of velocity fluctuations in high-Reynolds-number turbulent flows. One important idea was proposed by Kolmogorov [J. Fluid Mech. 13, 82 (1962)], which attributes the anomaly to variations of the locally averaged energy dissipation rate. Kraichnan later pointed out [J. Fluid Mech. 62, 305 (1973)] that the locally averaged energy dissipation rate is not an inertial-range quantity and a proper inertial-range quantity would be the local energy transfer rate. As a result, Kraichnan's idea attributes the anomaly to variations of the local energy transfer rate. These ideas, generally known as refined similarity hypotheses, can also be extended to study the anomalous scaling of fluctuations of an active scalar, such as the temperature in turbulent convection. We examine the validity of these refined similarity hypotheses and their extensions to an active scalar in shell models of homogeneous turbulence and turbulent convection. We find that Kraichnan's refined similarity hypothesis and its extension are valid.

  10. Modeling mechanical properties of core-shell rubber-modified epoxies

    SciTech Connect

    Wang, X.; Xiao, K.; Ye, L.; Mai, Y.W.; Wang, C.H.; Rose, L.R.F.

    2000-01-24

    Experiments have been carried out to quantify the effects of rubber content and strain rate on the elastic and plastic deformation behavior of core-shell rubber-modified epoxies. Both the Young's modulus and the yield stress were found to be slightly dependent on strain rate, but very sensitive to the volume fraction of rubber particles. Finite element analyses have also been performed to determine the influences of rubber content on the bulk elasticity modulus and the yield stress. By comparing with experimental results, it is found that the Young's modulus of rubber-toughened epoxies can be accurately estimated using the Mori-Tanaka method, provided that the volume fraction of rubber particles is appropriately evaluated. A yield function is provided that the volume fraction of rubber particles is appropriately evaluated. A yield function is proposed to quantify the effects of hydrostatic stress on the plastic yielding behaviors of rubber-modified epoxies. Agreement with experimental results is good. Also, a visco-plastic model is developed to simulate the strain-rate-dependent stress-strain relations.

  11. Thin-shell modeling of neotectonics in the Azores-Gibraltar Region

    NASA Astrophysics Data System (ADS)

    Jiménez-Munt, Ivone; Bird, Peter; Fernàndez, Manel

    We applied the thin-shell neotectonic modeling method to study the neotectonics of the Africa/Eurasia plate boundary in the Azores-Gibraltar region. The plate boundary consists of a simple fault system running from Azores to the Gorringe Bank where it branches along the Betics and Rift-Tell thrust fronts. Major faults in west Iberia and NW Africa have also been incorporated. Results are compared with seismic strain rates, fault slip rates and stress orientations. The best estimate for the fault friction coefficient is 0.1-0.15 meaning that the plate-boundary is only about 1/4 as strong as the adjacent lithosphere. The largest fault slip rates (>1.5 mm/yr) are obtained along the Gloria fault (strike-slip), and the Betic (transpressive) and Rif-Tell (compressive) thrust systems. Whereas tectonic activity in the Atlas region is comparable to that obtained along the plate boundary, the fault slip rates in the west Iberia fault systems are one order of magnitude less.

  12. Biomechanics of cell membrane under low-frequency time-varying magnetic field: a shell model.

    PubMed

    Ye, Hui; Curcuru, Austen

    2016-12-01

    Cell membrane deforms in the electromagnetic field, suggesting an interesting control of cellular physiology by the field. Previous research has focused on the biomechanical analysis of membrane deformation under electric fields that are generated by electrodes. An alternative, noninvasive method to generate an electric field is the use of electromagnetic induction with a time-varying magnetic field, such as that used for transcranial magnetic stimulation (TMS). Although references reporting the magnetic control of cellular mechanics have recently emerged, theoretical analysis of the membrane biomechanics under a time-varying magnetic field is inadequate. We developed a cell model that included the membrane as a low-conductive, capacitive shell and investigated the electric pressure generated on the membrane by a low-frequency magnetic field (0-200 kHz). Our results show that externally applied magnetic field induced surface charges on both sides of the membrane. The charges interacted with the induced electric field to produce a radial pressure upon the membrane. Under the low-frequency range, the radial pressure pulled the cell membrane along the axis that was defined by the magnetically induced electric field. The radial pressure was a function of the field frequency, the conductivity ratio of the cytoplasm to the medium, and the size of the cell. It is quantitatively insignificant in deforming the membrane at the frequency used in TMS, but could be significant at a relatively higher-frequency range (>100 kHz).

  13. Dielectric analysis based on spherical-shell model for cationic and anionic spherical polyelectrolyte brushes

    NASA Astrophysics Data System (ADS)

    Guo, Xiaoxia; Zhao, Kongshuang

    2017-07-01

    We report here a dielectric study on cationic and anionic spherical polyelectrolyte brush (SPB) (consisting of a polystyrene (PS) core and poly (2-aminoethylmethacrylate hydrochloride (PAEMH) chains or poly (acrylic acid) (PAA) chains grafted onto the core) suspensions over a frequency range of 40 Hz-110 MHz. The relaxation behavior of the suspensions shows significant changes in the brush layer properties when changing the particle mass fraction or pH of the system. After eliminating the electrode polarization effect at a low frequency, two definite relaxations related to interfacial polarization, around 100 kHz and 10 MHz respectively, are observed. Based on a single layer spherical-shell model, we developed a curve-fitting procedure to analyze such dielectric spectra for soft particles, and then calculated the dielectric properties of the components of the SPBs (such as the permittivities and conductivities of the layer and solution phase), especially the layer thickness d s of the polyelectrolyte chain (PE) layer. We also found a larger confinement degree of counterions in the PAEMH brush due to the protonation of the amino group. Moreover, the repulsive force between the SPB particles is evaluated by using the d s combined with the relative theoretical formulas. We conclude that by raising (reducing) the acidity of the system, the stability of the PAEMH-SPB (PAA-SPB) suspension was improved. An increase in particle concentration can also improve the stability of these two dispersions.

  14. Measurements and modeling of acoustic scattering from partially and completely buried spherical shells

    NASA Astrophysics Data System (ADS)

    Tesei, A.; Maguer, A.; Fox, W. L. J.; Lim, R.; Schmidt, H.

    2002-11-01

    The use of low-frequency sonars (2-15 kHz) is explored to better exploit scattering features of buried targets that can contribute to their detection and classification. Compared to conventional mine countermeasure sonars, sound penetrates better into the sediment at these frequencies, and the excitation of structural waves in the targets is enhanced. The main contributions to target echo are the specular reflection, geometric diffraction effects, and the structural response, with the latter being particularly important for man-made elastic objects possessing particular symmetries such as bodies of revolution. The resonance response derives from elastic periodic phenomena such as surface circumferential waves revolving around the target. The GOATS'98 experiment, conducted jointly by SACLANTCEN and MIT off the island of Elba, involved controlled monostatic measurements of scattering by spherical shells which were partially and completely buried in sand, and suspended in the water column. The analysis mainly addresses a study of the effect of burial on the dynamics of backscattered elastic waves, which can be clearly identified in the target responses, and is based on the comparison of measurements with appropriate scattering models. Data interpretation results are in good agreement with theory. This positive result demonstrates the applicability of low-frequency methodologies based on resonance analysis to the classification of buried objects. copyright 2002 Acoustical Society of America.

  15. Variational principles for buckling of microtubules modeled as nonlocal orthotropic shells.

    PubMed

    Adali, Sarp

    2014-01-01

    A variational principle for microtubules subject to a buckling load is derived by semi-inverse method. The microtubule is modeled as an orthotropic shell with the constitutive equations based on nonlocal elastic theory and the effect of filament network taken into account as an elastic surrounding. Microtubules can carry large compressive forces by virtue of the mechanical coupling between the microtubules and the surrounding elastic filament network. The equations governing the buckling of the microtubule are given by a system of three partial differential equations. The problem studied in the present work involves the derivation of the variational formulation for microtubule buckling. The Rayleigh quotient for the buckling load as well as the natural and geometric boundary conditions of the problem is obtained from this variational formulation. It is observed that the boundary conditions are coupled as a result of nonlocal formulation. It is noted that the analytic solution of the buckling problem for microtubules is usually a difficult task. The variational formulation of the problem provides the basis for a number of approximate and numerical methods of solutions and furthermore variational principles can provide physical insight into the problem.

  16. Mass loss from OH/IR stars - Models for the infrared emission of circumstellar dust shells

    NASA Technical Reports Server (NTRS)

    Justtanont, K.; Tielens, A. G. G. M.

    1992-01-01

    The IR emission of a sample of 24 OH/IR stars is modeled, and the properties of circumstellar dust and mass-loss rate of the central star are derived. It is shown that for some sources the observations of the far-IR emission is well fitted with a lambda exp -1 law, while some have a steeper index of 1.5. For a few sources, the presence of circumstellar ice grains is inferred from detailed studies of the observed 10-micron feature. Dust mass-loss rates are determined from detailed studies for all the stars in this sample. They range from 6.0 x 10 exp -10 solar mass/yr for an optically visible Mira to 2.2 x 10 exp -6 solar mass/yr for a heavily obscured OH/IR star. These dust mass-loss rates are compared to those calculated from IRAS photometry using 12-, 25-, and 60-micron fluxes. The dust mass-loss rates are also compared to gas mass-loss rates determined from OH and CO observations. For stars with tenuous shells, a dust-to-gas ratio of 0.001 is obtained.

  17. Infrared length scale and extrapolations for the no-core shell model

    SciTech Connect

    Wendt, K. A.; Forssén, C.; Papenbrock, T.; Sääf, D.

    2015-06-03

    In this paper, we precisely determine the infrared (IR) length scale of the no-core shell model (NCSM). In the NCSM, the A-body Hilbert space is truncated by the total energy, and the IR length can be determined by equating the intrinsic kinetic energy of A nucleons in the NCSM space to that of A nucleons in a 3(A-1)-dimensional hyper-radial well with a Dirichlet boundary condition for the hyper radius. We demonstrate that this procedure indeed yields a very precise IR length by performing large-scale NCSM calculations for 6Li. We apply our result and perform accurate IR extrapolations for bound states of 4He, 6He, 6Li, and 7Li. Finally, we also attempt to extrapolate NCSM results for 10B and 16O with bare interactions from chiral effective field theory over tens of MeV.

  18. Thermonuclear .Ia Supernovae from Helium Shell Detonations: Explosion Models and Observables

    NASA Astrophysics Data System (ADS)

    Shen, Ken J.; Kasen, Dan; Weinberg, Nevin N.; Bildsten, Lars; Scannapieco, Evan

    2010-06-01

    During the early evolution of an AM Canum Venaticorum system, helium is accreted onto the surface of a white dwarf under conditions suitable for unstable thermonuclear ignition. The turbulent motions induced by the convective burning phase in the He envelope become strong enough to influence the propagation of burning fronts and may result in the onset of a detonation. Such an outcome would yield radioactive isotopes and a faint rapidly rising thermonuclear ".Ia" supernova. In this paper, we present hydrodynamic explosion models and observable outcomes of these He shell detonations for a range of initial core and envelope masses. The peak UVOIR bolometric luminosities range by a factor of 10 (from 5 × 1041 to 5 × 1042 erg s-1), and the R-band peak varies from M R,peak = -15 to -18. The rise times in all bands are very rapid (<10 days), but the decline rate is slower in the red than in the blue due to a secondary near-IR brightening. The nucleosynthesis primarily yields heavy α-chain elements (40Ca through 56Ni) and unburnt He. Thus, the spectra around peak light lack signs of intermediate-mass elements and are dominated by Ca II and Ti II features, with the caveat that our radiative transfer code does not include the nonthermal effects necessary to produce He features.

  19. The specific edge effects of 2D core/shell model for spin-crossover nanoparticles

    NASA Astrophysics Data System (ADS)

    Muraoka, Azusa; Boukheddaden, Kamel; Linarès, Jorge; Varret, Francois

    2012-02-01

    We analyzed the size effect of spin-crossover nanoparticles at the edges of the 2D square lattices core/shell model, where the edge atoms are constrained to the high spin (HS) state. We performed MC simulations using the Ising-like Hamiltonian, [ H=-J∑(i,j)∑l i'=±1; j'=±1 S( i,j )S( i+i',j+j' ) +( δ2-kBT2g )∑(i,j)S( i,j ) ] The molar entropy change is δS 50J/K/mol, lng=δS/R 6 (R is the perfect gas constant), energy gap is δ=1300K. The HS fixed edges were based on the observation of an increasing residual HS fraction at low temperature upon particle size reduction. This specific boundary condition acts as a negative pressure which shifts downwards the equilibrium temperature. The interplay between the equilibrium temperature (=δ/kBlng) variation and the expected variation of the effective interactions in the system leads to a non-monotonous dependence of the hysteresis loop width upon the particle size. We described how the occurrence condition of the first-order transition has to be adapted to the nanoscale.

  20. A shell model study of the high spin states of 88Y

    NASA Astrophysics Data System (ADS)

    Bunce, M.; Regan, P. H.; Werner, V.; Anagnostatou, V.; Beausang, C. W.; Bowry, M.; Casperson, R. J.; Chen, D.; Cooper, N.; Goddard, P.; Hughes, R. O.; Ilie, G.; Mason, P. J. R.; Pauerstein, B.; Reed, M. W.; Ross, T. J.

    2012-09-01

    Experiments were carried out at the Wright Nuclear Structure Laboratory at Yale University using the 21MV ESTU Tandem Van de Graaff accelerator with the purpose of studying 88Y. A beam of 18O impinged at laboratory energies of 60, 65 and 70 MeV on a 600 μg/cm2 74Ge target with a thick (10mg/cm2) 197Au backing. This experiment was performed with the specific aim of accessing medium spin states of the nucleus of interest. A second experiment was undertaken to populate the nucleus of interest in higher spin states by impinging the same 18O beam on a thin 62 μg/cm2 76Ge target with a 20 μg/cm2 carbon backing at a laboratory beam energy of 90 MeV. Gamma rays emitted following the decay of excited states in 88Y and other nuclei populated in the reactions were measured using the YRAST ball detector array, consisting of 10 Compton suppressed HPGe clover detectors. In conjunction with the experimental study presented here, nuclear shell model calculations using a truncated valence space have also been performed in an attempt to describe the single-particle make-up of the states observed. Preliminary results from these experiments and theoretical calculations are presented.