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Sample records for pf shell model

  1. Cranked Nilsson-Strutinsky vs the spherical shell model: A comparative study of pf-shell nuclei

    SciTech Connect

    Juodagalvis, Andrius; Ragnarsson, Ingemar; Angstromberg, Sven

    2006-04-15

    A comparative study is performed of a deformed mean field theory, represented by the cranked Nilsson-Strutinsky (CNS) model and the spherical shell model. Energy spectra, occupation numbers, B(E2) values, and spectroscopic quadrupole moments in the light pf-shell nuclei are calculated in the two models and compared. The result is also compared to available experimental data which are generally well described by the shell model. Although the Nilsson-Strutinsky calculation does not include pairing, both the subshell occupation numbers and quadrupole properties are found to be rather similar in the two models. It is also shown that 'unpaired' shell model calculations produce energies similar to those from the CNS. The role of the pairing energy in the description of backbending and signature splitting in odd-mass nuclei is also discussed.

  2. Determining Electron-capture Rates of pf-shell Nuclei in Explosive Stellar Environments

    NASA Astrophysics Data System (ADS)

    Cole, A. L.; Dombos, A. C.; Zegers, R. G. T.; Austin, Sam M.; Brown, B. A.; Valdez, L.; Gupta, S.; Hitt, G. W.

    2011-10-01

    The electron-capture rates on pf-shell nuclei are required to model the evolution of core-collapse and thermonuclear supernovae. The majority of these rates are determined from calculated Gamow-Teller strength (B(GT)) distributions, as it's not feasible to measure the B(GT) distributions for all pf-shell nuclei. We present preliminary results of a systematic comparison between the electron-capture rates of 13 pf-shell nuclei determined from experimental B(GT) distribution measurements and the electron-capture rates of nuclei determined only from calculated B(GT) distributions, as measurements do not exist. The B(GT) distribution calculations were performed with the shell model using two different interaction Hamiltonians.

  3. 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.

  4. Narrowing of the neutron sd- pf shell gap in 29Na

    NASA Astrophysics Data System (ADS)

    Hurst, A. M.; Wu, C. Y.; Becker, J. A.; Stoyer, M. A.; Pearson, C. J.; Hackman, G.; Schumaker, M. A.; Svensson, C. E.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D.; Barton, C. J.; Boston, A. J.; Boston, H. C.; Churchman, R.; Cline, D.; Colosimo, S. J.; Cross, D. S.; Demand, G.; Djongolov, M.; Drake, T. E.; Garrett, P. E.; Gray-Jones, C.; Green, K. L.; Grint, A. N.; Hayes, A. B.; Leach, K. G.; Kulp, W. D.; Lee, G.; Lloyd, S.; Maharaj, R.; Martin, J.-P.; Millar, B. A.; Mythili, S.; Nelson, L.; Nolan, P. J.; Oxley, D. C.; Padilla-Rodal, E.; Phillips, A. A.; Porter-Peden, M.; Rigby, S. V.; Sarazin, F.; Sumithrarachchi, C. S.; Triambak, S.; Walker, P. M.; Williams, S. J.; Wong, J.; Wood, J. L.

    2009-04-01

    The wave-function composition for the low-lying states in 29Na was explored by measuring their electromagnetic properties using the Coulomb-excitation technique. A beam of 29Na ions, postaccelerated to 70 MeV, bombarded a 110Pd target with a rate of up to 600 particles per second at the recently commissioned ISAC-II facility at TRIUMF. Six segmented HPGe clover detectors of the TIGRESS γ-ray spectrometer were used to detect deexcitation γ rays in coincidence with scattered or recoiling charged particles in the segmented silicon detector, BAMBINO. The reduced transition matrix element | <5/2 1 + | | E 2 | |3/2 gs + > | in 29Na was derived to be 0.237(21) e b from the measured γ-ray yields for both projectile and target. This first-time measured value is consistent with the most recent Monte Carlo shell-model calculation, indicating a significant admixture of both sd and pf components in the wave function, and also providing evidence for the narrowing of the neutron sd- pf shell gap from ∼ 6 MeV for stable nuclei to ∼ 3 MeV for 29Na.

  5. 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.

  6. 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.

  7. TRAC-PF1 choked-flow model

    SciTech Connect

    Sahota, M.S.; Lime, J.F.

    1983-01-01

    The two-phase, two-component choked-flow model implemented in the latest version of the Transient Reactor analysis Code (TRAC-PF1) was developed from first principles using the characteristic analysis approach. The subcooled choked-flow model in TRAC-PF1 is a modified form of the Burnell model. This paper discusses these choked-flow models and their implementation in TRAC-PF1. comparisons using the TRAC-PF1 choked-flow models are made with the Burnell model for subcooled flow and with the homogeneous-equilibrium model (HEM) for two-phae flow. These comparisons agree well under homogeneous conditions. Generally good agreements have been obtained between the TRAC-PF1 results from models using the choking criteria and those using a fine mesh (natural choking). Code-data comparisons between the separate-effects tests of the Marviken facility and the Edwards' blowdown experiment also are favorable. 10 figures.

  8. Shell model Monte Carlo methods

    SciTech Connect

    Koonin, S.E.; Dean, D.J.

    1996-10-01

    We review quantum Monte Carlo methods for dealing with large shell model problems. These methods reduce the imaginary-time many-body evolution operator to a coherent superposition of one-body evolutions in fluctuating one-body fields; resultant path integral is evaluated stochastically. We first discuss the motivation, formalism, and implementation of such Shell Model Monte Carlo methods. There then follows a sampler of results and insights obtained from a number of applications. These include the ground state and thermal properties of pf-shell nuclei, thermal behavior of {gamma}-soft nuclei, and calculation of double beta-decay matrix elements. Finally, prospects for further progress in such calculations are discussed. 87 refs.

  9. Neutron Skins and Halo Orbits in the sd and pf Shells.

    PubMed

    Bonnard, J; Lenzi, S M; Zuker, A P

    2016-05-27

    The strong dependence of Coulomb energies on nuclear radii makes it possible to extract the latter from calculations of the former. The resulting estimates of neutron skins indicate that two mechanisms are involved. The first one-isovector monopole polarizability-amounts to noting that when a particle is added to a system it drives the radii of neutrons and protons in different directions, tending to equalize the radii of both fluids independently of the neutron excess. This mechanism is well understood and the Duflo-Zuker (small) neutron skin values derived 14 years ago are consistent with recent measures and estimates. The alternative mechanism involves halo orbits whose huge sizes tend to make the neutron skins larger and have a subtle influence on the radial behavior of sd and pf shell nuclei. In particular, they account for the sudden rise in the isotope shifts of nuclei beyond N=28 and the near constancy of radii in the A=40-56 region. This mechanism, detected here for the first time, is not well understood and may well go beyond the Efimov physics usually associated with halo orbits.

  10. Neutron Skins and Halo Orbits in the sd and pf Shells.

    PubMed

    Bonnard, J; Lenzi, S M; Zuker, A P

    2016-05-27

    The strong dependence of Coulomb energies on nuclear radii makes it possible to extract the latter from calculations of the former. The resulting estimates of neutron skins indicate that two mechanisms are involved. The first one-isovector monopole polarizability-amounts to noting that when a particle is added to a system it drives the radii of neutrons and protons in different directions, tending to equalize the radii of both fluids independently of the neutron excess. This mechanism is well understood and the Duflo-Zuker (small) neutron skin values derived 14 years ago are consistent with recent measures and estimates. The alternative mechanism involves halo orbits whose huge sizes tend to make the neutron skins larger and have a subtle influence on the radial behavior of sd and pf shell nuclei. In particular, they account for the sudden rise in the isotope shifts of nuclei beyond N=28 and the near constancy of radii in the A=40-56 region. This mechanism, detected here for the first time, is not well understood and may well go beyond the Efimov physics usually associated with halo orbits. PMID:27284653

  11. Shell-model study for neutron-rich sd-shell nuclei

    SciTech Connect

    Kaneko, Kazunari; Sun Yang; Mizusaki, Takahiro; Hasegawa, Munetake

    2011-01-15

    The microscopic structure of neutron-rich sd-shell nuclei is investigated by using the spherical-shell model in the sd-pf valence space with the extended pairing plus quadrupole-quadrupole forces accompanied by the monopole interaction (EPQQM). The calculation reproduces systematically the known energy levels for even-even and odd-mass nuclei including the recent data for {sup 43}S, {sup 46}S, and {sup 47}Ar. In particular, the erosion of the N=28 shell closure in {sup 42}Si can be explained. Our EPQQM results are compared with other shell-model calculations with the SDPF-NR and SDPF-U effective interactions.

  12. 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.

  13. Shell-model description of E1 excitation

    NASA Astrophysics Data System (ADS)

    Shimizu, Noritaka; Utsuno, Yutaka; Togashi, Tomoaki; Otsuka, Takaharu; Honma, Michio

    2014-09-01

    We discuss a microscopic description of E1 excitations based on shell-model calculations. We performed large-scale shell-model calculations for Ca isotopes with Lanczos-strength-function method and sd - pf - sdg model space allowing up to 3 ℏω excitation and obtained their photoabsorption cross sections. It gives a very good description of giant dipole and low-lying pygmy resonances rather independently of smoothing parameter. We also present the feasiblity of the Monte Carlo shell model (MCSM) to study the E1 excitation in order to to treat larger model space. By using the MCSM we discuss some results about light nuclei. We discuss a microscopic description of E1 excitations based on shell-model calculations. We performed large-scale shell-model calculations for Ca isotopes with Lanczos-strength-function method and sd - pf - sdg model space allowing up to 3 ℏω excitation and obtained their photoabsorption cross sections. It gives a very good description of giant dipole and low-lying pygmy resonances rather independently of smoothing parameter. We also present the feasiblity of the Monte Carlo shell model (MCSM) to study the E1 excitation in order to to treat larger model space. By using the MCSM we discuss some results about light nuclei. This study is supported by HPCI strategic program field 5 and KAKENHI Grand 25870168.

  14. Relativistic shell model calculations

    NASA Astrophysics Data System (ADS)

    Furnstahl, R. J.

    1986-06-01

    Shell model calculations are discussed in the context of a relativistic model of nuclear structure based on renormalizable quantum field theories of mesons and baryons (quantum hadrodynamics). The relativistic Hartree approximation to the full field theory, with parameters determined from bulk properties of nuclear matter, predicts a shell structure in finite nuclei. Particle-hole excitations in finite nuclei are described in an RPA calculation based on this QHD ground state. The particle-hole interaction is prescribed by the Hartree ground state, with no additional parameters. Meson retardation is neglected in deriving the RPA equations, but it is found to have negligible effects on low-lying states. The full Dirac matrix structure is maintained throughout the calculation; no nonrelativistic reductions are made. Despite sensitive cancellations in the ground state calculation, reasonable excitation spectra are obtained for light nuclei. The effects of including charged mesons, problems with heavy nuclei, and prospects for improved and extended calculations are discussed.

  15. New Perspective on PF_n (n=1--5) from the Recoupled Pair Bonding Model: a Quantum Chemical Study

    NASA Astrophysics Data System (ADS)

    Woon, D. E.; Dunning, T. H., Jr.

    2010-06-01

    Structures of the PF_n family (n=1--5) were characterized with high level RCCSD(T) coupled cluster theory calculations using triple and quadruple zeta quality correlation consistent basis sets. In addition to accounting for the well-known ground states of PF through PF_5, insight from the recoupled pair bonding model also led to locating a previously unknown ^3B_1 state of PF_3, which lies about 90 kcal/mol above PF_3(^1A_1) but is still bound with respect to PF_2(^2B_1)+F(^2P) by about 40 kcal/mol. We also revisited the less-studied C3v local minimum on the PF_4 doublet surface and characterized the transition state for interconversion to the C2v global minimum. The energetics suggest that both PF_3(^3B_1) and C3v PF_4(^2A_1) are potentially observable in the laboratory. The trends in the bond dissociation energies and relative energy differences of the PF_n family are very consistent with predictions from the recoupled pair bonding model.

  16. Tryout of the vacuum impregnation procedure for the ITER PF1 coil on the VPI mold made of plastic shell

    NASA Astrophysics Data System (ADS)

    Grigoriev, S.; Rodin, I.; Tanchuk, V.; Korban, S.; Bursikov, A.; Mednikov, A.; Pugachev, A.

    2014-05-01

    The PF1 Coil as part of the ITER superconducting magnet system is intended for positioning and shaping of the magnetic poloidal field. The technical specification for the PF1 coil requires a full-scale simulation of the basic technological processes including vacuum pressure impregnation (VPI). Usually, a VPI mold is made of massive stainless steel walls to get the required quality of the monolithic structure of the pancake insulation by hot-curing compound. As a result, we obtain a high-cost furnace with a considerable amount of steel inside to be heated up to the specified temperature; excessive energy consumption for the furnace heating system; problems with the vacuum tightness of the VPI mold. The impregnation procedure using a VPI "plastic" mold was proposed so as to avoid the above mentioned shortcomings associated with the use of the furnace made of stainless steel.

  17. Shell Models of Superfluid Turbulence

    NASA Astrophysics Data System (ADS)

    Wacks, Daniel H.; Barenghi, Carlo F.

    2011-12-01

    Superfluid helium consists of two inter-penetrating fluids, a viscous normal fluid and an inviscid superfluid, coupled by a mutual friction. We develop a two-fluid shell model to study superfluid turbulence and investigate the energy spectra and the balance of fluxes between the two fluids in a steady state. At sufficiently low temperatures a 'bottle-neck' develops at high wavenumbers suggesting the need for a further dissipative effect, such as the Kelvin wave cascade.

  18. 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.

  19. 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…

  20. 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.

  1. 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)

  2. 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.

  3. 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.

  4. 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. PMID:25054140

  5. Molecular interaction of selected phytochemicals under the charged environment of Plasmodium falciparum chloroquine resistance transporter (PfCRT) model.

    PubMed

    Patel, Saumya K; Khedkar, Vijay M; Jha, Prakash C; Jasrai, Yogesh T; Pandya, Himanshu A; George, Linz-Buoy; Highland, Hyacinth N; Skelton, Adam A

    2016-01-01

    Phytochemicals of Catharanthus roseus Linn. and Tylophora indica have been known for their inhibition of malarial parasite, Plasmodium falciparum in cell culture. Resistance to chloroquine (CQ), a widely used antimalarial drug, is due to the CQ resistance transporter (CRT) system. The present study deals with computational modeling of Plasmodium falciparum chloroquine resistance transporter (PfCRT) protein and development of charged environment to mimic a condition of resistance. The model of PfCRT was developed using Protein homology/analogy engine (PHYRE ver 0.2) and was validated based on the results obtained using PSI-PRED. Subsequently, molecular interactions of selected phytochemicals extracted from C. roseus Linn. and T. indica were studied using multiple-iterated genetic algorithm-based docking protocol in order to investigate the translocation of these legends across the PfCRT protein. Further, molecular dynamics studies exhibiting interaction energy estimates of these compounds within the active site of the protein showed that compounds are more selective toward PfCRT. Clusters of conformations with the free energy of binding were estimated which clearly demonstrated the potential channel and by this means the translocation across the PfCRT is anticipated.

  6. 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.

  7. 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.

  8. The kinetics of antibody binding to Plasmodium falciparum VAR2CSA PfEMP1 antigen and modelling of PfEMP1 antigen packing on the membrane knobs

    PubMed Central

    2010-01-01

    Background Infected humans make protective antibody responses to the PfEMP1 adhesion antigens exported by Plasmodium falciparum parasites to the erythrocyte membrane, but little is known about the kinetics of this antibody-receptor binding reaction or how the topology of PfEMP1 on the parasitized erythrocyte membrane influences antibody association with, and dissociation from, its antigenic target. Methods A Quartz Crystal Microbalance biosensor was used to measure the association and dissociation kinetics of VAR2CSA PfEMP1 binding to human monoclonal antibodies. Immuno-fluorescence microscopy was used to visualize antibody-mediated adhesion between the surfaces of live infected erythrocytes and atomic force microscopy was used to obtain higher resolution images of the membrane knobs on the infected erythrocyte to estimate knob surface areas and model VAR2CSA packing density on the knob. Results Kinetic analysis indicates that antibody dissociation from the VAR2CSA PfEMP1 antigen is extremely slow when there is a high avidity interaction. High avidity binding to PfEMP1 antigens on the surface of P. falciparum-infected erythrocytes in turn requires bivalent cross-linking of epitopes positioned within the distance that can be bridged by antibody. Calculations of the surface area of the knobs and the possible densities of PfEMP1 packing on the knobs indicate that high-avidity cross-linking antibody reactions are constrained by the architecture of the knobs and the large size of PfEMP1 molecules. Conclusions High avidity is required to achieve the strongest binding to VAR2CSA PfEMP1, but the structures that display PfEMP1 also tend to inhibit cross-linking between PfEMP1 antigens, by holding many binding epitopes at distances beyond the 15-18 nm sweep radius of an antibody. The large size of PfEMP1 will also constrain intra-knob cross-linking interactions. This analysis indicates that effective vaccines targeting the parasite's vulnerable adhesion receptors should

  9. Modeling of microencapsulated polymer shell solidification

    SciTech Connect

    Boone, T.; Cheung, L.; Nelson, D.; Soane, D.; Wilemski, G.; Cook, R.

    1995-03-08

    A finite element transport model has been developed and implemented to complement experimental efforts to improve the quality of ICF target shells produced via controlled-mass microencapsulation. The model provides an efficient means to explore the effect of processing variables on the dynamics of shell dimensions, concentricity, and phase behavior. Comparisons with experiments showed that the model successfully predicts the evolution of wall thinning and core/wall density differences. The model was used to efficiently explore and identify initial wall compositions and processing temperatures which resulted in concentricity improvements from 65 to 99%. The evolution of trace amounts of water entering into the shell wall was also tracked in the simulations. Comparisons with phase envelope estimations from modified UNIFAP calculations suggest that the water content trajectory approaches the two-phase region where vacuole formation via microphase separation may occur.

  10. Longitudinal FEV1 dose-response model for inhaled PF-00610355 and salmeterol in patients with chronic obstructive pulmonary disease.

    PubMed

    Nielsen, Jace C; Hutmacher, Matthew M; Cleton, Adriaan; Martin, Steven W; Ribbing, Jakob

    2012-12-01

    The objective of this work was to characterize the dose-response relationship between two inhaled long-acting beta agonists (PF-00610355 and salmeterol) and the forced expiratory volume in one second (FEV1) in order to inform dosing recommendations for future clinical trials in patients with chronic obstructive pulmonary disease (COPD). This meta-analysis of four studies included 8,513 FEV1 measurements from 690 patients with moderate COPD. A longitudinal kinetic-pharmacodynamic (K-PD) model was developed and adequately described changes in FEV1 measurements over time, including circadian patterns within a day, as well as changes in FEV1 measurements elicited from administration of PF-00610355 or salmeterol. The fine-particle dose, the amount of drug present in particles small enough for lung delivery, was used as the exposure measure for PF-00610355. Greater reversibility following administration of a short-acting beta agonist during run-in was associated with increased FEV1 response to long-acting beta agonists (through an increased maximal response, E(max)). Simulations were conducted to better understand the response to PF-00610355 relative to placebo and salmeterol. The results of the simulations show that once daily fine-particle doses of 28.1 μg versus placebo have a moderate probability of providing an average improvement above 100 mL at trough. The 50 μg fine-particle dose, on the other hand, has a greater than 0.78 probability of achieving a 120 mL improvement versus placebo at trough. From an efficacy perspective and assuming a fine-particle fraction of 25 % for the Phase 3 formulation; 100 and 200 μg once daily nominal doses would be of interest to investigate in future Phase 3 trials.

  11. Nuclear level density: Shell-model approach

    NASA Astrophysics Data System (ADS)

    Sen'kov, Roman; Zelevinsky, Vladimir

    2016-06-01

    Knowledge of the nuclear level density is necessary for understanding various reactions, including those in the stellar environment. Usually the combinatorics of a Fermi gas plus pairing is used for finding the level density. Recently a practical algorithm avoiding diagonalization of huge matrices was developed for calculating the density of many-body nuclear energy levels with certain quantum numbers for a full shell-model Hamiltonian. The underlying physics is that of quantum chaos and intrinsic thermalization in a closed system of interacting particles. We briefly explain this algorithm and, when possible, demonstrate the agreement of the results with those derived from exact diagonalization. The resulting level density is much smoother than that coming from conventional mean-field combinatorics. We study the role of various components of residual interactions in the process of thermalization, stressing the influence of incoherent collision-like processes. The shell-model results for the traditionally used parameters are also compared with standard phenomenological approaches.

  12. 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.

  13. 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.

  14. Shell-Model Calculations of f p-shell Nuclei with Realistic NN Interactions

    SciTech Connect

    Qi, C.; Xu, F. R.

    2010-05-12

    Shell model calculations have been carried out to study the structure and decay properties of nuclei in the f p shell. The shell-model effective Hamiltonian is constructed from the high-precision CD-Bonn NN potential using the folded-diagram renormalization method without any empirical modification. The Hamiltonian gives a reasonable description of spectroscopic properties in nuclei around the N = Z line.

  15. 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.

  16. 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.

  17. 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.

  18. Error dynamics in shell models for turbulence

    NASA Astrophysics Data System (ADS)

    De Cruz, Lesley; Vannitsem, Stéphane

    2013-04-01

    A deep understanding of the error dynamics in turbulent systems is crucial to estimate the horizon of predictability, and to quantify the impact of initial-condition (IC) and model errors on the statistical characteristics of ensemble prediction systems. We present a study of the dynamics of combined IC and model errors in a turbulent system. We use the Sabra shell model [1], a spectral model which captures the characteristic properties of a turbulent system using a low number of variables (of the order of 50). The analytical properties of the short-term error dynamics in the Sabra shell model are investigated using the methodology described in Ref. [2], and compared to numerical results. Of particular interest is the property of a dissipative system that the mean squared error (MSE) reaches a minimum shortly after the introduction of an IC error. The distribution of the minimum-error times is investigated, and the spatial-scale dependence of the error dynamics is discussed. At longer time scales, our simulations confirm the well-known fact that an arbitrarily small error in the initial conditions contaminates the integral scale in a time that is independent of the scale of the initial error. Finally, we report on the error dynamics in the presence of a crossover between 3D and 2D turbulence, known to characterise the atmosphere. References [1] V. S. L'vov, E. Podivilov, A. Pomyalov, I. Procaccia, and D. Vandembroucq. Improved shell model of turbulence. Physical Review E, 58:1811-1822, August 1998. [2] C. Nicolis, R. A. P. Perdigao, and S. Vannitsem. Dynamics of Prediction Errors under the Combined Effect of Initial Condition and Model Errors. Journal of Atmospheric Sciences, 66:766, 2009.

  19. 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.

  20. 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.

  1. 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.

  2. A shell model for turbulent dynamos

    NASA Astrophysics Data System (ADS)

    Nigro, G.; Perrone, D.; Veltri, P.

    2011-06-01

    A self-consistent nonlinear dynamo model is presented. The nonlinear behavior of the plasma at small scale is described by using a MHD shell model for fields fluctuations; this allow us to study the dynamo problem in a large parameter regime which characterizes the dynamo phenomenon in many natural systems and which is beyond the power of supercomputers at today. The model is able to reproduce dynamical situations in which the system can undergo transactions to different dynamo regimes. In one of these the large-scale magnetic field jumps between two states reproducing the magnetic polarity reversals. From the analysis of long time series of reversals we infer results about the statistics of persistence times, revealing the presence of hidden long-time correlations in the chaotic dynamo process.

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

    NASA Astrophysics Data System (ADS)

    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.

  4. Modeling of human M1 aminopeptidases for in silico screening of potential Plasmodium falciparum alanine aminopeptidase (PfA-M1) specific inhibitors.

    PubMed

    Sahi, Shakti; Rai, Sneha; Chaudhary, Meenakshi; Nain, Vikrant

    2014-01-01

    Plasmodium falciparum alanine M1-aminopeptidase (PfA-M1) is a validated target for anti-malarial drug development. Presence of significant similarity between PfA-M1 and human M1-aminopeptidases, particularly within regions of enzyme active site leads to problem of non-specificity and off-target binding for known aminopeptidase inhibitors. Molecular docking based in silico screening approach for off-target binding has high potential but requires 3D-structure of all human M1-aminopeptidaes. Therefore, in the present study 3D structural models of seven human M1-aminopeptidases were developed. The robustness of docking parameters and quality of predicted human M1-aminopeptidases structural models was evaluated by stereochemical analysis and docking of their respective known inhibitors. The docking scores were in agreement with the inhibitory concentrations elucidated in enzyme assays of respective inhibitor enzyme combinations (r2≈0.70). Further docking analysis of fifteen potential PfA-M1 inhibitors (virtual screening identified) showed that three compounds had less docking affinity for human M1-aminopeptidases as compared to PfA-M1. These three identified potential lead compounds can be validated with enzyme assays and used as a scaffold for designing of new compounds with increased specificity towards PfA-M1.

  5. 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.

  6. 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

  7. Ab Initio No-Core Shell Model

    SciTech Connect

    Barrett, B R; Navratil, P; Vary, J P

    2011-04-11

    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

  8. Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: Comparison of different solvent models.

    PubMed

    Chevrot, G; Schurhammer, R; Wipff, G

    2006-09-28

    We report a Molecular Dynamics (MD) study of the interface between water and the hygroscopic room temperature Ionic Liquid "IL" [BMI][PF6] (1-butyl-3-methyl-imidazolium hexafluorophosphate), comparing the TIP3P, SPC/E and TIP5P models for water and two IL models where the ions are +/-1 or +/-0.9 charged. A recent MD study (A. Chaumont, R. Schurhammer and G. Wipff, J. Phys. Chem. B, 2005, 109, 18964) showed that using TIP3P water in conjunction with the IL(+/-1) model led to water-IL mixing without forming an interface, whereas a biphasic system could be obtained with the IL(+/-0.9) model. With the TIP5P and SPC/E models, the juxtaposed aqueous and IL phases are found to remain distinct for at least 20 ns. The resulting IL humidity, exaggerated with the IL(+/-1) model, is in better agreement with experiment using the IL(+/-0.9) model. We also report demixing simulations on the "randomly mixed" liquids, using the IL(+/-0.9) model for the ionic liquid. With the three tested water models, the phases separate very slowly ( approximately 20 ns or more) compared to "classical" chloroform-water mixtures (less than 1 ns), leading to biphasic systems similar to those obtained after equilibration of the juxtaposed liquids. The characteristics of the interface (size, polarity, ion orientation, electrostatic potential) are compared with the different models. Possible reasons why, among the three tested water models, the widely-used TIP3P model exaggerates the inter-solvent mixing, are analyzed. The difficulty in computationally and experimentally equilibrating water-IL mixtures is attributed to the slow dynamics and micro-heterogeneity of the IL and to the different states of water in the IL phase.

  9. Compressive behavior of a turtle's shell: experiment, modeling, and simulation.

    PubMed

    Damiens, R; Rhee, H; Hwang, Y; Park, S J; Hammi, Y; Lim, H; Horstemeyer, M F

    2012-02-01

    The turtle's shell acts as a protective armor for the animal. By analyzing a turtle shell via finite element analysis, one can obtain the strength and stiffness attributes to help design man-made armor. As such, finite element analysis was performed on a Terrapene carolina box turtle shell. Experimental data from compression tests were generated to provide insight into the scute through-thickness behavior of the turtle shell. Three regimes can be classified in terms of constitutive modeling: linear elastic, perfectly inelastic, and densification regions, where hardening occurs. For each regime, we developed a model that comprises elasticity and densification theory for porous materials and obtained all the material parameters by correlating the model with experimental data. The different constitutive responses arise as the deformation proceeded through three distinctive layers of the turtle shell carapace. Overall, the phenomenological stress-strain behavior is similar to that of metallic foams. PMID:22301179

  10. 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.

  11. Shell model for warm rotating nuclei

    NASA Astrophysics Data System (ADS)

    Matsuo, M.; Døssing, T.; Vigezzi, E.; Broglia, R. A.; Yoshida, K.

    1997-04-01

    In order to provide a microscopic description of levels and E2 transitions in rapidly rotating nuclei with internal excitation energy up to a few MeV, use is made of a shell model which combines the cranked Nilsson mean-field and the residual surface delta two-body force. The damping of collective rotational motion is investigated in the case of a typical rare-earth nucleus, namely 168Yb. It is found that rotational damping sets in at around 0.8 MeV above the yrast line, and the number of levels which form rotational band structures is thus limited. We predict at a given rotational frequency the existence of about 30 rotational bands of various lengths, in overall agreement with the experimental findings. The onset of the rotational damping proceeds quite gradually as a function of the internal excitation energy. The transition region extends up to around 2 MeV above yrast and it is characterized by the presence of scars of discrete rotational bands which extend over few spin values and stand out among the damped transitions, and by a two-component profile in the Eγ- Eγ correlation. The important role played by the high-multipole components of the two-body residual interaction is emphasized.

  12. Oral administration of PF-01247324, a subtype-selective Nav1.8 blocker, reverses cerebellar deficits in a mouse model of multiple sclerosis.

    PubMed

    Shields, Shannon D; Butt, Richard P; Dib-Hajj, Sulayman D; Waxman, Stephen G

    2015-01-01

    Cerebellar symptoms significantly diminish quality of life in patients with multiple sclerosis (MS). We previously showed that sodium channel Nav1.8, although normally restricted to peripheral somatosensory neurons, is upregulated in the cerebellum in MS, and that Nav1.8 expression is linked to ataxia and MS-like symptoms in mice. Furthermore, intracerebroventricular administration of the Nav1.8 blocker A-803467 temporarily reversed electrophysiological and behavioral manifestations of disease in a mouse MS model; unfortunately A-803467 is not orally bioavailable, diminishing the potential for translation to human patients. In the present study, we assessed the effect of per os (p.o.) dosing of a new orally bioavailable Nav1.8-selective blocker, PF-01247324, in transgenic mice expressing Nav1.8 in Purkinje neurons, and in wildtype mice in the experimental autoimmune encephalomyelitis (EAE) model. PF-01247324 was administered by oral gavage at 1000 mg/kg; control groups received an equal volume of vehicle. Behavioral assays of motor coordination, grip strength, and ataxia were performed. We observed significant improvements in motor coordination and cerebellar-like symptoms in mice that received PF-01247324 compared to control littermates that received vehicle. These preclinical proof-of-concept data suggest that PF-01247324, its derivatives, or other Nav1.8-selective blockers merit further study for providing symptomatic therapy for cerebellar dysfunction in MS and related disorders. PMID:25747279

  13. Simulation of PWR plant by a new version of TRAC-PF1 code including a three-dimensional neutronic model and a transport boron model

    SciTech Connect

    Alloggio, G.; Brega, E.; Basile, D.; Guandalini, R.; Pollachini, L.

    1996-08-01

    This paper is aimed at presenting a solution method for time-dependent problems coupling thermal-hydraulic behavior and neutronic changes during selected transients in Pressurized Water Reactors. A two-group three-dimensional reactor kinetics model, based on the Analytical Nodal Method with a detailed feedback model, has been implemented in TRAC-PF1 code replacing the original point-kinetics approximation. A geometry conversion was done to match, in the core discretization, the cylindrical geometry of the TRAC-PF1 with the Cartesian geometry of the three-dimensional neutronic model. In this version of TRAC-PFI, named TRAC-EN for IBM computers, a Boron transport model has been implemented. The transient Boron concentration is computed from a Boron mass balance after the coolant mass, energy and momentum balances have been completed. In order to evaluate the new code capabilities, a model of the two-loops 600 MW Westinghouse reactor was implemented. Some specific PWR transients that exhibit interesting nuclear and thermal-hydraulic responses, e.g., control rod ejection and pressurization transients, are presented. To check the Boron transport model, a local Boron dilution transient was analyzed. The results obtained by using the space and time dependent neutronic model can not be predicted by point kinetics approximation. Furthermore, some events that apparently concern only the core, are also involving the primary circuit the responses of which can not be neglected because they affect the neutronic behavior.

  14. 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.

  15. Galactic Center Shells and a Recurrent Starburst Model

    NASA Astrophysics Data System (ADS)

    Sofue, Yoshiaki

    2003-04-01

    By applying filtering techniques to remove straight filaments in the 20-cm VLA radio image of the Galactic Center Arc region, we have shown that numerous concentric radio shells of radii 5 to 20pc are surrounding the Pistol and Sickle region, which we call Galactic Center Shells (GCS).Each shell has thermal energy of the order of1049-50erg.Several CO-line shells are associated, whose kinetic energies are of the order of 1049-50erg. Summing up the energies of recognized GCSs, the total energy amounts to ˜ 1051erg.The GCSs show an excellent correlation with the FIR shells observed at 16-26μm with the MSX.We propose a model in which GCSs were produced by recurrent and/or intermittent starbursts in the Pistol area during the last million years.The most recent burst occurred some 105 years ago, producing an inner round-shaped shell (GCS I);earlier ones a million years ago produced outer shells (GCS II and III), which a re more deformed by interactions with the surrounding ISM and Sgr A halo.We argue that recurrent starbursts had also occurred in the past, which produced larger scale hyper-shell structures as well.A burst some million years ago produced the Galactic Center Lobe, and a much stronger one 15 million years ago produced the North Polar Spur.

  16. 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.

  17. Jacobi no-core shell model for p-shell nuclei

    NASA Astrophysics Data System (ADS)

    Liebig, S.; Meißner, U.-G.; Nogga, A.

    2016-04-01

    We introduce an algorithm to obtain coefficients of fractional parentage for light p-shell nuclei. The coefficients enable one to use Jacobi coordinates in no-core shell model calculations separating off the center-of-mass motion. Fully antisymmetrized basis states are given together with recoupling coefficients that allow one to apply two- and three-nucleon operators. As an example, we study the dependence on the harmonic oscillator frequency of 3H, 4He, 6He, 6Li and 7Li and extract their binding and excitation energies. The coefficients will be made openly accessible as HDF5 data files.

  18. 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.

  19. 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.

  20. Statistical mechanics of shell models for two-dimensional turbulence

    NASA Astrophysics Data System (ADS)

    Aurell, E.; Boffetta, G.; Crisanti, A.; Frick, P.; Paladin, G.; Vulpiani, A.

    1994-12-01

    We study shell models that conserve the analogs of energy and enstrophy and hence are designed to mimic fluid turbulence in two-dimensions (2D). The main result is that the observed state is well described as a formal statistical equilibrium, closely analogous to the approach to two-dimensional ideal hydrodynamics of Onsager [Nuovo Cimento Suppl. 6, 279 (1949)], Hopf [J. Rat. Mech. Anal. 1, 87 (1952)], and Lee [Q. Appl. Math. 10, 69 (1952)]. In the presence of forcing and dissipation we observe a forward flux of enstrophy and a backward flux of energy. These fluxes can be understood as mean diffusive drifts from a source to two sinks in a system which is close to local equilibrium with Lagrange multipliers (``shell temperatures'') changing slowly with scale. This is clear evidence that the simplest shell models are not adequate to reproduce the main features of two-dimensional turbulence. The dimensional predictions on the power spectra from a supposed forward cascade of enstrophy and from one branch of the formal statistical equilibrium coincide in these shell models in contrast to the corresponding predictions for the Navier-Stokes and Euler equations in 2D. This coincidence has previously led to the mistaken conclusion that shell models exhibit a forward cascade of enstrophy. We also study the dynamical properties of the models and the growth of perturbations.

  1. 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

  2. Biomechanical Evaluation of an Injectable and Biodegradable Copolymer P(PF-co-CL) in a Cadaveric Vertebral Body Defect Model

    PubMed Central

    Fang, Zhong; Giambini, Hugo; Zeng, Heng; Camp, Jon J.; Dadsetan, Mahrokh; Robb, Richard A.; An, Kai-Nan; Yaszemski, Michael J.

    2014-01-01

    A novel biodegradable copolymer, poly(propylene fumarate-co-caprolactone) [P(PF-co-CL)], has been developed in our laboratory as an injectable scaffold for bone defect repair. In the current study, we evaluated the ability of P(PF-co-CL) to reconstitute the load-bearing capacity of vertebral bodies with lytic lesions. Forty vertebral bodies from four fresh-frozen cadaveric thoracolumbar spines were used for this study. They were randomly divided into four groups: intact vertebral body (intact control), simulated defect without treatment (negative control), defect treated with P(PF-co-CL) (copolymer group), and defect treated with poly(methyl methacrylate) (PMMA group). Simulated metastatic lytic defects were made by removing a central core of the trabecular bone in each vertebral body with an approximate volume of 25% through an access hole in the side of the vertebrae. Defects were then filled by injecting either P(PF-co-CL) or PMMA in situ crosslinkable formulations. After the spines were imaged with quantitative computerized tomography, single vertebral body segments were harvested for mechanical testing. Specimens were compressed until failure or to 25% reduction in body height and ultimate strength and elastic modulus of each specimen were then calculated from the force–displacement data. The average failure strength of the copolymer group was 1.83 times stronger than the untreated negative group and it closely matched the intact vertebral bodies (intact control). The PMMA-treated vertebrae, however, had a failure strength 1.64 times larger compared with the intact control. The elastic modulus followed the same trend. This modulus mismatch between PMMA-treated vertebrae and the host vertebrae could potentially induce a fracture cascade and degenerative changes in adjacent intervertebral discs. In contrast, P(PF-co-CL) restored the mechanical properties of the treated segments similar to the normal, intact, vertebrae. Therefore, P(PF-co-CL) may be a suitable

  3. 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. PMID:25786935

  4. 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.

  5. Scales in the fine structure of the magnetic dipole resonance: A wavelet approach to the shell model

    SciTech Connect

    Petermann, I.; Langanke, K.; Martinez-Pinedo, G.; Neumann-Cosel, P. von; Nowacki, F.; Richter, A.

    2010-01-15

    Wavelet analysis is applied as a tool for the examination of magnetic dipole (M1) strength distributions in pf-shell nuclei by the extraction of wavelet scales. Results from the analysis of theoretical M1 strength distributions calculated with the KB3G interaction are compared to experimental data from (e,e{sup '}) experiments and good agreement of the deduced wavelet scales is observed. This provides further insight into the nature of the scales from the model results. The influence of the number of Lanczos iterations on the development and stability of scales and the role of the model space in terms of the truncation level are studied. Moreover, differences in the scales of spin and orbital parts of the M1 strength are investigated, as is the use of different effective interactions (KB3G, GXPF1, and FPD6).

  6. Modeling the carbon isotope composition of bivalve shells (Invited)

    NASA Astrophysics Data System (ADS)

    Romanek, C.

    2010-12-01

    The stable carbon isotope composition of bivalve shells is a valuable archive of paleobiological and paleoenvironmental information. Previous work has shown that the carbon isotope composition of the shell is related to the carbon isotope composition of dissolved inorganic carbon (DIC) in the ambient water in which a bivalve lives, as well as metabolic carbon derived from bivalve respiration. The contribution of metabolic carbon varies among organisms, but it is generally thought to be relatively low (e.g., <10%) in shells from aquatic organism and high (>90%) in the shells from terrestrial organisms. Because metabolic carbon contains significantly more C-12 than DIC, negative excursions from the expected environmental (DIC) signal are interpreted to reflect an increased contribution of metabolic carbon in the shell. This observation contrasts sharply with modeled carbon isotope compositions for shell layers deposited from the inner extrapallial fluid (EPF). Previous studies have shown that growth lines within the inner shell layer of bivalves are produced during periods of anaerobiosis when acidic metabolic byproducts (e.g., succinic acid) are neutralized (or buffered) by shell dissolution. This requires the pH of EPF to decrease below ambient levels (~7.5) until a state of undersaturation is achieved that promotes shell dissolution. This condition may occur when aquatic bivalves are subjected to external stressors originating from ecological (predation) or environmental (exposure to atm; low dissolved oxygen; contaminant release) pressures; normal physiological processes will restore the pH of EPF when the pressure is removed. As a consequence of this process, a temporal window should also exist in EPF at relatively low pH where shell carbonate is deposited at a reduced saturation state and precipitation rate. For example, EPF chemistry should remain slightly supersaturated with respect to aragonite given a drop of one pH unit (6.5), but under closed conditions

  7. 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.

  8. 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.

  9. Testing refined shell-model interactions in the s d shell: Coulomb excitation of 26Na

    NASA Astrophysics Data System (ADS)

    Siebeck, B.; Seidlitz, M.; Blazhev, A.; Reiter, P.; Altenkirch, R.; Bauer, C.; Butler, P. A.; de Witte, H.; Elseviers, J.; Gaffney, L. P.; Hess, H.; Huyse, M.; Kröll, T.; Lutter, R.; Pakarinen, J.; Pietralla, N.; Radeck, F.; Scheck, M.; Schneiders, D.; Sotty, C.; van Duppen, P.; Vermeulen, M.; Voulot, D.; Warr, N.; Wenander, F.; Miniball Collaboration; Rex-Isolde Collaboration

    2015-01-01

    Background: Shell-model calculations crucially depend on the residual interaction used to approximate the nucleon-nucleon interaction. Recent improvements to the empirical universal s d interaction (USD) describing nuclei within the s d shell yielded two new interactions—USDA and USDB—causing changes in the theoretical description of these nuclei. Purpose: Transition matrix elements between excited states provide an excellent probe to examine the underlying shell structure. These observables provide a stringent test for the newly derived interactions. The nucleus 26Na with 7 valence neutrons and 3 valence protons outside the doubly-magic 16O core is used as a test case. Method: A radioactive beam experiment with 26Na (T1 /2=1 ,07 s ) was performed at the REX-ISOLDE facility (CERN) using Coulomb excitation at safe energies below the Coulomb barrier. Scattered particles were detected with an annular Si detector in coincidence with γ rays observed by the segmented MINIBALL array. Coulomb excitation cross sections of the beam have been obtained by normalization to the well known Coulomb excitation cross sections of the 104Pd target. Results: The observation of three γ -ray transitions in 26Na together with available spectroscopic data allows us to determine E 2 - and M 1 -transitional matrix elements. Results are compared to theoretical predictions. Conclusion: The improved theoretical description of 26Na could be validated. Remaining discrepancies between experimental data and theoretical predictions indicate the need for future experiments and possibly further theoretical improvements.

  10. 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.

  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. 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.

  13. A common feature-based 3D-pharmacophore model generation and virtual screening: identification of potential PfDHFR inhibitors.

    PubMed

    Adane, Legesse; Bharatam, Prasad V; Sharma, Vikas

    2010-10-01

    A four-feature 3D-pharmacophore model was built from a set of 24 compounds whose activities were reported against the V1/S strain of the Plasmodium falciparum dihydrofolate reductase (PfDHFR) enzyme. This is an enzyme harboring Asn51Ile + Cys59Arg + Ser108Asn + Ile164Leu mutations. The HipHop module of the Catalyst program was used to generate the model. Selection of the best model among the 10 hypotheses generated by HipHop was carried out based on rank and best-fit values or alignments of the training set compounds onto a particular hypothesis. The best model (hypo1) consisted of two H-bond donors, one hydrophobic aromatic, and one hydrophobic aliphatic features. Hypo1 was used as a query to virtually screen Maybridge2004 and NCI2000 databases. The hits obtained from the search were subsequently subjected to FlexX and Glide docking studies. Based on the binding scores and interactions in the active site of quadruple-mutant PfDHFR, a set of nine hits were identified as potential inhibitors. PMID:19995305

  14. A common feature-based 3D-pharmacophore model generation and virtual screening: identification of potential PfDHFR inhibitors.

    PubMed

    Adane, Legesse; Bharatam, Prasad V; Sharma, Vikas

    2010-10-01

    A four-feature 3D-pharmacophore model was built from a set of 24 compounds whose activities were reported against the V1/S strain of the Plasmodium falciparum dihydrofolate reductase (PfDHFR) enzyme. This is an enzyme harboring Asn51Ile + Cys59Arg + Ser108Asn + Ile164Leu mutations. The HipHop module of the Catalyst program was used to generate the model. Selection of the best model among the 10 hypotheses generated by HipHop was carried out based on rank and best-fit values or alignments of the training set compounds onto a particular hypothesis. The best model (hypo1) consisted of two H-bond donors, one hydrophobic aromatic, and one hydrophobic aliphatic features. Hypo1 was used as a query to virtually screen Maybridge2004 and NCI2000 databases. The hits obtained from the search were subsequently subjected to FlexX and Glide docking studies. Based on the binding scores and interactions in the active site of quadruple-mutant PfDHFR, a set of nine hits were identified as potential inhibitors.

  15. 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.

  16. 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.

  17. Shell Model in a First Principles Approach

    SciTech Connect

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

    2004-01-08

    We develop and apply an ab-initio approach to nuclear structure. Starting with the NN interaction, that fits two-body scattering and bound state data, and adding a theoretical NNN potential, we evaluate nuclear properties in a no-core approach. For presently feasible no-core model spaces, we evaluate an effective Hamiltonian in a cluster approach which is guaranteed to provide exact answers for sufficiently large model spaces and/or sufficiently large clusters. A number of recent applications are surveyed including an initial application to exotic multiquark systems.

  18. 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).

  19. 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

  20. Modeling the Extended Dust Shell Around AFGL 618

    NASA Astrophysics Data System (ADS)

    Hosmer, Laura; Speck, A.; Meixner, M.; Lis, D. C.; Nenkova, M. M.; Elitzur, M.

    2013-06-01

    ISO observations of the carbon-rich post-AGB object AFGL 618 have found an extremely extended (r >1 pc) circumstellar dust shell. This shell contains a fossil record of mass loss that occurred during the ascent of the asymptotic giant branch. We analyze previous far-infrared observations of AFGL 618 to estimate the mass of the dust shell, and thus place a lower limit on the mass of the progenitor star. We present a new sub-millimeter (350 m) map of AFGL 618, and place limits on the temperature and crystal structure of the dust grains. The analysis incorporates radiative transfer (RT) modeling of AFGL 618 using the 1-d code DUSTY. The models suggest that previous estimates of the inner radius of the dust shell were too small by a factor of 5-10. This discrepancy may be due to clumping in the HII region close to the central star. Our models show that the dust within » 10000 of the central star is dominated by crystalline material, while the far-infrared and sub-millimetre observations suggest that the dust at larger distances is amorphous, implying that the properties of the dust grains change with the evolution of the star. Finally, we show that the existing data do not lead to a unique model: good models have been achieved by assuming either constant or increasing mass-loss rate for the last few hundred years of AGB evolution. Increased mass loss at the end of the AGB requires the overall optical depth to be increased. The increasing mass-loss phase cannot have a duration longer than »500 yrs.

  1. Optimal thermalization in a shell model of homogeneous turbulence

    NASA Astrophysics Data System (ADS)

    Thalabard, Simon; Turkington, Bruce

    2016-04-01

    We investigate the turbulence-induced dissipation of the large scales in a statistically homogeneous flow using an ‘optimal closure,’ which one of us (BT) has recently exposed in the context of Hamiltonian dynamics. This statistical closure employs a Gaussian model for the turbulent scales, with corresponding vanishing third cumulant, and yet it captures an intrinsic damping. The key to this apparent paradox lies in a clear distinction between true ensemble averages and their proxies, most easily grasped when one works directly with the Liouville equation rather than the cumulant hierarchy. We focus on a simple problem for which the optimal closure can be fully and exactly worked out: the relaxation arbitrarily far-from-equilibrium of a single energy shell towards Gibbs equilibrium in an inviscid shell model of 3D turbulence. The predictions of the optimal closure are validated against DNS and contrasted with those derived from EDQNM closure.

  2. Shell-model calculations of nuclear-charge radii

    SciTech Connect

    McGrory, J.B.; Brown, B.A.

    1982-01-01

    Shell-model calculations of charge radius differences in the Pb isotopes are discussed. Core quadrupole oscillations are found to be significant factors in the calculations. Existing data on the /sup 210/Pb isotope shift and the B(E2) strengths in /sup 210/Pb are shown to be inconsistent. Ground-state correlation effects in light nuclei (i.e., 0 and Ca isotopes) introduce odd-even staggering effects and other qualitative features in agreement with existing data.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. Plethysms of Schur functions and the shell model

    NASA Astrophysics Data System (ADS)

    Carvalho, M. J.; D'Agostino, S.

    2001-02-01

    We present a method for evaluating plethysms of Schur functions that is conceptually simpler than existing methods. Moreover the algorithm can be easily implemented with an algebraic computer language. Plethysms of sums, differences and products of S-functions are dealt with in exactly the same manner as plethysms of simple S-functions. Sums and differences of S-functions are of importance for the description of multi-shell configurations in the shell model. The number of variables in which the S-functions are expressed can be specified in advance, significantly simplifying the calculations in typical applications to many-body problems. The method relies on an algorithm that we have developed for the product of monomial symmetric functions. We present a new way of calculating the Kostka numbers (using Gel'fand patterns) and give, as well, a new formula for the Littlewood-Richardson coefficients.

  9. Breakdown of model aircraft radome dielectric shell in artificial charged aerosol clouds

    NASA Astrophysics Data System (ADS)

    Temnikov, A. G.; Chernenskii, L. L.; Orlov, A. V.; Antonenko, S. S.

    2011-10-01

    The breakdown of a model aircraft radome dielectric shell in artificial charged aqueous aerosol clouds has been experimentally studied. It is established that, in most cases, electric breakdown of a model shell takes place without explicit discharge development between a charged aqueous aerosol cloud and a model antenna arranged under the radome shell. The probabilities of the dielectric shell breakdown have been determined for various radome models. A possible mechanism of the shell breakdown in hollow dielectric radomes interacting with charged aqueous aerosol clouds and electric discharges in these clouds is proposed that takes into account the accumulation of charges of opposite signs on the internal and external surface of the radome.

  10. 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

  11. Study of nuclear clustering using the modern shell model approach

    NASA Astrophysics Data System (ADS)

    Volya, Alexander; Tchuvil'Sky, Yury

    2014-03-01

    Nuclear clustering, alpha decays, and multi-particle correlations are important components of nuclear dynamics. In this work we use the modern configuration-interaction approach with most advanced realistic shell-model Hamiltonians to study these questions. We utilize the algebraic many-nucleon structures and the corresponding fractional parentage coefficients to build the translationally invariant wave functions of the alpha-cluster channels. We explore the alpha spectroscopic factors, study the distribution of clustering strength, and discuss the structure of an effective 4-body operator describing the in-medium alpha dynamics in the multi-shell valence configuration space. Sensitivity of alpha clustering to the components of an effective Hamiltonian, which includes its collective and many-body components, as well as isospin symmetry breaking terms, are of interest. We offer effective techniques for evaluation of the cluster spectroscopic factors satisfying the orthogonality conditions of the respective cluster channels. We present a study of clustering phenomena, single-particle dynamics, and electromagnetic transitions for a number of nuclei in p-sd shells and compare our results with the experimentally available data. This work is supported by the U.S. Department of Energy under contract number DE-SC0009883.

  12. Modeling shell formation in core-shell nanocrystals in reverse micelle systems.

    PubMed

    Shukla, Diwakar; Mehra, Anurag

    2006-11-01

    The mechanisms responsible for the formation of the shell in core-shell nanocrystals are ion-displacement and heterogeneous nucleation. In the ion-displacement mechanism, the shell is formed by the displacement reaction at the surface of the core nanoparticle whereas in heterogeneous nucleation the core particle induces the nucleation (or direct deposition) of shell material on its surface. The formation of core-shell nanocrystals via the post-core route has been examined in the current investigation. A purely probabilistic Monte Carlo scheme for the formation of the shell has been developed to predict the experimental results of Hota et al. (Hota, G.; Jain, S.; Khilar, K. C. Colloids Surf., A 2004, 232, 119) for the precipitation of Ag2S-coated CdS (Ag2S@CdS) nanoparticles. The simulation procedure involves two stages. In the first stage, shell formation takes place as a result of the consumption of supersaturation, ion displacement, and reaction between Ag+ and excess sulfide ions. The growth in the second stage is driven by the coagulation of nanoparticles. The results indicate that the fraction of shell deposited by the ion-displacement mechanism increases with increasing ion ratio and decreases with increasing water-to-surfactant molar ratio.

  13. General shell model for a rotating pretwisted blade

    NASA Astrophysics Data System (ADS)

    Sun, Jia; Lopez Arteaga, Ines; Kari, Leif

    2013-10-01

    A novel dynamic model for a pretwisted rotating compressor blade mounted at an arbitrary stagger angle using general shell theory and including the rotational velocity is developed to study the eigenfrequencies and damping properties of the pretwisted rotating blade. The strain-displacement relation and constitutive model based on the general (thick) shell theory are applied to bring out the strain energy of the rotating blade. Using Hamilton's principle, the variational form of the total energy is derived in order to obtain the corresponding weak form for the numerical simulation. The model is validated by comparing to the literature results and Ansys results, showing good agreement. Parametric analyses are carried out to study the influence of the rotation velocity, the stagger angle and the radius of the disk on the eigenfrequencies of the pretwisted blade. Proportional damping is included into the proposed model to investigate the influence of rotational velocity on the damping characteristics of the pretwisted rotating blade system. It is shown that, due to inertial and Coriolis effects, damping decreases as the rotation velocity increases for the lower part of the velocity range considered and either decreases or increases depending on the mode order for higher velocities. Furthermore, frequency loci veering as a result of the rotation velocity is observed. The proposed model is an efficient and accurate tool for predicting the dynamic behavior of compressor blades of arbitrary thickness, stagger angle and pretwist, potentially during the early designing stage of turbomachinery.

  14. 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

  15. Moments Method for Shell-Model Level Density

    NASA Astrophysics Data System (ADS)

    Zelevinsky, V.; Horoi, M.; Sen'kov, R. A.

    2016-01-01

    The modern form of the Moments Method applied to the calculation of the nuclear shell-model level density is explained and examples of the method at work are given. The calculated level density practically exactly coincides with the result of full diagonalization when the latter is feasible. The method provides the pure level density for given spin and parity with spurious center-of-mass excitations subtracted. The presence and interplay of all correlations leads to the results different from those obtained by the mean-field combinatorics.

  16. Magnetic reversals in a modified shell model for magnetohydrodynamics turbulence

    NASA Astrophysics Data System (ADS)

    Nigro, Giuseppina; Carbone, Vincenzo

    2010-07-01

    The aim of the paper is the study of dynamo action using a simple nonlinear model in the framework of magnetohydrodynamic turbulence. The nonlinear behavior of the system is described by using a shell model for velocity field and magnetic field fluctuations, modified for the magnetic field at the largest scale by a term describing a supercritical pitchfork bifurcation. Turbulent fluctuations generate a dynamical situation where the large-scale magnetic field jumps between two states which represent the opposite polarities of the magnetic field. Despite its simplicity, the model has the capability to describe a long time series of reversals from which we infer results about the statistics of persistence times and scaling laws of cancellations between opposite polarities for different magnetic diffusivity coefficients. These properties of the model are compared with real paleomagnetic data, thus revealing the origin of long-range correlations in the process.

  17. 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.

  18. 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}

  19. Alpha Decay in the Complex-Energy Shell Model

    SciTech Connect

    Betan, R. Id

    2012-01-01

    Background: Alpha emission from a nucleus is a fundamental decay process in which the alpha particle formed inside the nucleus tunnels out through the potential barrier. Purpose: We describe alpha decay of 212Po and 104Te by means of the configuration interaction approach. Method: To compute the preformation factor and penetrability, we use the complex-energy shell model with a separable T = 1 interaction. The single-particle space is expanded in a Woods-Saxon basis that consists of bound and unbound resonant states. Special attention is paid to the treatment of the norm kernel appearing in the definition of the formation amplitude that guarantees the normalization of the channel function. Results: Without explicitly considering the alpha-cluster component in the wave function of the parent nucleus, we reproduce the experimental alpha-decay width of 212Po and predict an upper limit of T1/2 = 5.5 10 7 sec for the half-life of 104Te. Conclusions: The complex-energy shell model in a large valence configuration space is capable of providing a microscopic description of the alpha decay of heavy nuclei having two valence protons and two valence neutrons outside the doubly magic core. The inclusion of proton-neutron interaction between the valence nucleons is likely to shorten the predicted half-live of 104Te.

  20. 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. PMID:16298856

  1. 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

  2. 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.

  3. Quantum phase transitional patterns in the SD-pair shell model

    SciTech Connect

    Luo Yanan; Meng Xiangfei; Zhang Yu; Pan Feng; Draayer, Jerry P.

    2009-07-15

    Patterns of shape-phase transition in the proton-neutron coupled systems are studied within the SD-pair shell model. The results show that some transitional patterns in the SD-pair shell model are similar to the U(5)-SU(3) and U(5)-SO(6) transitions with signatures of the critical point symmetry of the interacting boson model.

  4. Modeling the Backscatter and Transmitted Light of High Power Smoothed Beams with pF3D, a Massively Parallel Laser Plasma Interaction Code

    SciTech Connect

    Berger, R.L.; Divol, L.; Glenzer, S.; Hinkel, D.E.; Kirkwood, R.K.; Langdon, A.B.; Moody, J.D.; Still, C.H.; Suter, L.; Williams, E.A.; Young, P.E.

    2000-06-01

    Using the three-dimensional wave propagation code, F3D[Berger et al., Phys. Fluids B 5,2243 (1993), Berger et al., Phys. Plasmas 5,4337(1998)], and the massively parallel version pF3D, [Still et al. Phys. Plasmas 7 (2000)], we have computed the transmitted and reflected light for laser and plasma conditions in experiments that simulated ignition hohlraum conditions. The frequency spectrum and the wavenumber spectrum of the transmitted light are calculated and used to identify the relative contributions of stimulated forward Brillouin and self-focusing in hydrocarbon-filled balloons, commonly called gasbags. The effect of beam smoothing, smoothing by spectral dispersion (SSD) and polarization smoothing (PS), on the stimulated Brillouin backscatter (SBS) from Scale-1 NOVA hohlraums was simulated with the use nonlinear saturation models that limit the amplitude of the driven acoustic waves. Other experiments on CO{sub 2} gasbags simultaneously measure at a range of intensities the SBS reflectivity and the Thomson scatter from the SBS-driven acoustic waves that provide a more detailed test of the modeling. These calculations also predict that the backscattered light will be very nonuniform in the nearfield (the focusing system optics) which is important for specifying the backscatter intensities be tolerated by the National Ignition Facility laser system.

  5. Shell model and band structures in 19O

    NASA Astrophysics Data System (ADS)

    von Oertzen, W.; Milin, M.; Dorsch, T.; Bohlen, H. G.; Krücken, R.; Faestermann, T.; Hertenberger, R.; Kokalova, Tz.; Mahgoub, M.; Wheldon, C.; Wirth, H.-F.

    2010-12-01

    We have studied the reaction ( ^7Li, p) on 13C targets at E lab = 44 MeV, populating states in the oxygen isotope 19O . The experiments were performed at the Tandem Laboratory (Maier-Leibniz Laboratorium) using the high-resolution Q3D magnetic spectrometer. States were populated up to an excitation energy of 21MeV, with an overall energy resolution of 45keV. We discuss shell model states and cluster bands related to the rotational bands in the 18O -isotope, using the weak-coupling approach. Similar to 18O , the broken intrinsic reflection symmetry in these states must give rise to rotational bands as parity doublets, so two K = 3/2 bands (parities, + and - are proposed with large moments of inertia. These are discussed in terms of an underlying cluster structure, ( ^14C ⊗ n ⊗ α) . An extended molecular binding diagram is proposed which includes the 14C -cluster.

  6. 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.

  7. Shell Model Nuclear Level Densities using the Methods of Statistical Spectroscopy

    NASA Astrophysics Data System (ADS)

    Karampagia, Sofia; Sen'kov, Roman; Zelevinsky, Vladimir; Brown, Alex B.

    2016-03-01

    An algorithm has been developed for the calculation of spin- and parity-dependent nuclear level densities, based on a two-body shell-model Hamiltonian. Instead of diagonalizing the full shell-model Hamiltonian, the algorithm uses methods of statistical spectroscopy in order to derive nuclear level densities. This method allows one to calculate the exact level densities (coinciding with the shell model densities) very fast and for model spaces that the shell model cannot reach. In this work we study the evolution of the level density under variation of specific matrix elements of the shell-model Hamiltonian. We also study the impact on the calculated level density as a result the expansion of single-particle model space. As an application of the method, whenever it is possible and experimental information exists, we make a comparison of the nuclear level densities calculated within our method with experimental level densities. Supported by the NSF Grant PHY-1404442.

  8. 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. PMID:23339902

  9. 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.

  10. A New Model for the Mechanochemical Corrosion of a Thin Spherical Shell

    NASA Astrophysics Data System (ADS)

    Sedova, O.; Pronina, Y.

    2016-02-01

    A pressurized thin-walled spherical shell under the conditions of double-sided uniform corrosion is considered. The rates of corrosion are supposed to dependent linearly on the effective stress. Previous solutions for thin shells obtained by other authors reflect only the effect of differential pressure (i.e., the difference between internal and external pressure). The model proposed here allows to include also the effect of hydrostatic pressure on the durability of the shell under the corrosion conditions.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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. PMID:23137621

  1. 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.

  2. 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.

  3. 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.

  4. Statistical model for the prediction of elastic wave scattering from finite complicated shells

    NASA Astrophysics Data System (ADS)

    He, Hua

    This thesis develops a simple statistical model to estimate bistatic elastic scattering from finite complicated shells in the mid-frequency range, 3 < ka/ < 10. The model has three parts: (1) sound power injection into the shell; (2) coupling among the elastic waves in the shell and wave power equipartition (3) sound radiation from the shell. Within 30o of beam aspect, sound power injection into the shell is mainly caused by acoustic trace matching, and is estimated by using an infinitely long shell model. Once trace matched, the compressional and shear waves can couple to each other and to the subsonic flexural waves at shell discontinuities such as bulkheads and endcaps. Under extensive wave conversion, wave power, defined as energy density multiplied by axial group speed, is hypothesized to be equipartitioned among the elastic wave types. Numerical calculations are conducted and the results show that the wave power equipartition hypothesis is plausible for a finite endcapped shell with four heavy deep rings. Using the wave power equipartition hypothesis, the shell motion is then converted to sound pressure in the surrounding fluid using Green's theorem. The sound radiation is further extended to the time domain, using random phase realizations and a decay rate model, which considers various dissipation mechanisms in the shells. The predicted target strength is compared with measured data for the ringed shell and the internalled shell, with the internal structures resiliently mounted to the rings. In terms of the mean target strength over the frequency region 3 < ka/ < 10 and the observation region within 30o of beam aspect, the prediction differs from the measured data by less than 2.5 dB for the second and third roundtrip of the trace matched wave in the shells, as well as for a time integrated case. The ring influence on elastic wave speeds is also studied. Inclusion of the influence in the model does not generally yield a better agreement with the

  5. 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.

  6. 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

  7. Shell model nuclear matrix elements for competing mechanisms contributing to double beta decay

    SciTech Connect

    Horoi, Mihai

    2013-12-30

    Recent progress in the shell model approach to the nuclear matrix elements for the double beta decay process are presented. This includes nuclear matrix elements for competing mechanisms to neutrionless double beta decay, a comparison between closure and non-closure approximation for {sup 48}Ca, and an updated shell model analysis of nuclear matrix elements for the double beta decay of {sup 136}Xe.

  8. 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

  9. Lyman-α Spectra from Multiphase Outflows, and their Connection to Shell Models

    NASA Astrophysics Data System (ADS)

    Gronke, M.; Dijkstra, M.

    2016-07-01

    We perform Lyman-α (Lyα) Monte-Carlo radiative transfer calculations on a suite of 2500 models of multiphase, outflowing media, which are characterized by 14 parameters. We focus on the Lyα spectra emerging from these media and investigate which properties are dominant in shaping the emerging Lyα profile. Multiphase models give rise to a wide variety of emerging spectra, including single-, double-, and triple-peaked spectra. We find that the dominant parameters in shaping the spectra include (i) the cloud covering factor, f c , which is in agreement with earlier studies, and (ii) the temperature and number density of residual H i in the hot ionized medium. We attempt to reproduce spectra emerging from multiphase models with “shell models” which are commonly used to fit observed Lyα spectra, and investigate the connection between shell-model parameters and the physical parameters of the clumpy media. In shell models, the neutral hydrogen content of the shell is one of the key parameters controlling Lyα radiative transfer. Because Lyα spectra emerging from multiphase media depend much less on the neutral hydrogen content of the clumps, the shell-model parameters such as H i column density (but also shell velocity and dust content) are generally not well matched to the associated physical parameters of the clumpy media.

  10. 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.

  11. 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…

  12. Double-step truncation procedure for large-scale shell-model calculations

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    We present a procedure that is helpful to reduce the computational complexity of large-scale shell-model calculations, by preserving as much as possible the role of the rejected degrees of freedom in an effective approach. Our truncation is driven first by the analysis of the effective single-particle energies of the original large-scale shell-model Hamiltonian, in order to locate the relevant degrees of freedom to describe a class of isotopes or isotones, namely the single-particle orbitals that will constitute a new truncated model space. The second step is to perform a unitary transformation of the original Hamiltonian from its model space into the truncated one. This transformation generates a new shell-model Hamiltonian, defined in a smaller model space, that retains effectively the role of the excluded single-particle orbitals. As an application of this procedure, we have chosen a realistic shell-model Hamiltonian defined in a large model space, set up by seven proton and five neutron single-particle orbitals outside 88Sr. We study the dependence of shell-model results upon different truncations of the original model space for the Zr, Mo, Ru, Pd, Cd, and Sn isotopic chains, showing the reliability of this truncation procedure.

  13. Core-shell particle model for optical transparency in glass ceramics

    NASA Astrophysics Data System (ADS)

    Edgar, Andrew

    2006-07-01

    The light scattering from particles in a glass ceramic is calculated for a particle model comprising a crystalline core and a surrounding shell, created by nucleation and diffusive processes from the original homogeneous glass, with diffusing atoms limited to the core-shell volume. The scatterings from core and shell are found to cancel in first order for small particles within the approximations of the Rayleigh-Debye theory. The residual scattering varies as the inverse eighth power of wavelength and is most pronounced in the backscatter geometry.

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

    NASA Astrophysics Data System (ADS)

    Bahmann, Hilke; Zhou, Yongxi; Ernzerhof, Matthias

    2016-09-01

    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 ) = ∫ /d Ω u 4 π ρ ( 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.

  15. 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.

  16. 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.

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

    SciTech Connect

    Martineau, R.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 10{sup 4} s{sup {minus}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{degree} 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

  18. Reactions of the cationic zinc thiolate model complex [Zn(Tab)4](PF6)2 with N-donor ligands and cobalt dichloride.

    PubMed

    Zheng, Ai-Xia; Si, Jing; Tang, Xiao-Yan; Miao, Li-Li; Yu, Miao; Hou, Kai-Peng; Wang, Fan; Li, Hong-Xi; Lang, Jian-Ping

    2012-10-01

    Reactions of [Zn(Tab)(4)](PF(6))(2) (Tab = 4-(trimethylammonio)benzenethiolate) (1) with 2,2'-bipyridine (2,2'-bipy), 1,10-phenanthroline (phen), 2,9-dimethyl-1,10-phenanthroline (2,9-dmphen), N-methylimidazole (N-Meim), and 2,6-bis(pyrazol-3-yl)pyridine (bppy) or with CoCl(2)·6H(2)O at the presence of N-donor ligands (2,2'-bipy, phen, 4,4'-dimethyl-2,2'-bipyridine (4,4'-dmbpy), 2,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)pyridine (bdmppy))gave rise to a family of zinc or cobalt thiolate complexes, [Zn(Tab)(2)(L)](PF(6))(2) (2: L = 2,2'-bipy, 3: L = phen, 4: L = 2,9-dmphen), [Zn(Tab)(2)(N-Meim)(2)](PF(6))(2) (5), [Zn(Tab)(2)(bppy)](PF(6))(2) (6), [Co(Tab)(2)(L)(2)](PF(6))(3) (7: L = 2,2'-bipy, 8: L = phen, 9: L = 4,4'-dmbpy), and [Co(Tab)(bdmppy)Cl](PF(6)) (10). These compounds were characterized by elemental analysis, IR spectra, UV-vis spectra,(1)H NMR, electrospray ionization (ESI) mass spectra, and single-crystal X-ray diffraction. The Zn(II) in [Zn(Tab)(2)L(n)](2+)dications of 2-5 is tetrahedrally coordinated by two Tab ligands and one L or two N-Meim ligands. In 6, the Zn(II) has a distorted trigonal-bipyramidal geometry, coordinated by two Tab ligands and one tridentate bppy ligand. The Co(III) in the [Co(Tab)(2)(L)(2)](3+) trications of 7-9 is octahedraly chelated by two bidentate L ligands and two Tab ligands. In 10, the Co(II) adopts a distorted trigonal-bipyramidal geometry, coordinated by one Cl(-), one Tab ligand, and one tridentate bdmppy. In the formation of 2-6, two Tab ligands are removed from the [Zn(Tab)(4)](2+) dication when it is attacked by L ligands, while in the cases of 7-9, the Zn(II) of the [Zn(Tab)(4)](2+) dication was replaced by Co(III) (derived from oxidation of Co(II) by O(2)) followed by the removal of two Tab ligands via L ligands. In the case of 10, the central Zn(II) of the [Zn(Tab)(4)](2+) dication was displaced by Co(II) followed by the removal of three Tab ligands via one Cl(-) and one tridentate bdmppy. These ligand and metal

  19. 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.

  20. 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.

  1. 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.

  2. DOUBLE-DETONATION SUB-CHANDRASEKHAR SUPERNOVAE: SYNTHETIC OBSERVABLES FOR MINIMUM HELIUM SHELL MASS MODELS

    SciTech Connect

    Kromer, M.; Sim, S. A.; Fink, M.; Roepke, F. K.; Seitenzahl, I. R.; Hillebrandt, W.

    2010-08-20

    In the double-detonation scenario for Type Ia supernovae, it is suggested that a detonation initiates in a shell of helium-rich material accreted from a companion star by a sub-Chandrasekhar-mass white dwarf. This shell detonation drives a shock front into the carbon-oxygen white dwarf that triggers a secondary detonation in the core. The core detonation results in a complete disruption of the white dwarf. Earlier studies concluded that this scenario has difficulties in accounting for the observed properties of Type Ia supernovae since the explosion ejecta are surrounded by the products of explosive helium burning in the shell. Recently, however, it was proposed that detonations might be possible for much less massive helium shells than previously assumed (Bildsten et al.). Moreover, it was shown that even detonations of these minimum helium shell masses robustly trigger detonations of the carbon-oxygen core (Fink et al.). Therefore, it is possible that the impact of the helium layer on observables is less than previously thought. Here, we present time-dependent multi-wavelength radiative transfer calculations for models with minimum helium shell mass and derive synthetic observables for both the optical and {gamma}-ray spectral regions. These differ strongly from those found in earlier simulations of sub-Chandrasekhar-mass explosions in which more massive helium shells were considered. Our models predict light curves that cover both the range of brightnesses and the rise and decline times of observed Type Ia supernovae. However, their colors and spectra do not match the observations. In particular, their B - V colors are generally too red. We show that this discrepancy is mainly due to the composition of the burning products of the helium shell of the Fink et al. models which contain significant amounts of titanium and chromium. Using a toy model, we also show that the burning products of the helium shell depend crucially on its initial composition. This leads us

  3. 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.

  4. Symplectic Symmetry and the Ab Initio No-Core Shell Model

    SciTech Connect

    Draayer, Jerry P.; Dytrych, Tomas; Sviratcheva, Kristina D.; Bahri, Chairul; Vary, James P.; /Iowa State U. /LLNL, Livermore /SLAC

    2007-03-14

    The symplectic symmetry of eigenstates for the 0{sub gs}{sup +} in {sup 16}O and the 0{sub gs}{sup +} and lowest 2{sup +} and 4{sup +} configurations of {sup 12}C that are well-converged within the framework of the no-core shell model with the JISP16 realistic interaction is examined. These states are found to project at the 85-90% level onto very few symplectic representations including the most deformed configuration, which confirms the importance of a symplectic no-core shell model and reaffirms the relevance of the Elliott SU(3) model upon which the symplectic scheme is built.

  5. 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

  6. 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.

  7. Synthesis of Cu(core) Pt(shell) nanoparticles as model structures for core-shell electrocatalysts by direct platinum electrodeposition on copper.

    PubMed

    Kulp, Christian; Gillmeister, Konrad; Widdra, Wolf; Bron, Michael

    2013-04-15

    The synthesis of Cu(core)Pt(shell) model catalysts by the direct electrochemical deposition of Pt on Cu particles is presented. Cu particles with an average diameter of 200 nm have been deposited on glassy-carbon electrodes by double pulse electrodeposition from a copper sulfate solution. Subsequent deposition from a platinum nitrate solution under potential control allows for a high selectivity of the Pt deposition towards Cu. Using a combination of cyclic voltammetry, XPS and sputtering, the structure of the generated particles has been analyzed and their core-shell configuration proven. It is shown that the electrocatalytic activity for the oxygen reduction is similar to that of other PtCu catalyst systems. The synthesized structures could allow for the analysis of structure-activity relations of core-shell catalysts on the way to the simple and controlled synthesis of supported Cu(core)Pt(shell) nanoparticles as oxygen reduction catalysts.

  8. 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.

  9. Level densities of heavy nuclei in the shell model Monte Carlo approach

    NASA Astrophysics Data System (ADS)

    Alhassid, Y.; Bertsch, G. F.; Gilbreth, C. N.; Nakada, H.; Özen, C.

    2016-06-01

    Nuclear level densities are necessary input to the Hauser-Feshbach theory of compound nuclear reactions. However, the microscopic calculation of level densities in the presence of correlations is a challenging many-body problem. The configurationinteraction shell model provides a suitable framework for the inclusion of correlations and shell effects, but the large dimensionality of the many-particle model space has limited its application in heavy nuclei. The shell model Monte Carlo method enables calculations in spaces that are many orders of magnitude larger than spaces that can be treated by conventional diagonalization methods and has proven to be a powerful tool in the microscopic calculation of level densities. We discuss recent applications of the method in heavy nuclei.

  10. 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.

  11. 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.

  12. A Comment on the New Formulation of a Many-Level Shell Model

    NASA Astrophysics Data System (ADS)

    Yasumoto, S.; Shimizu, Y. R.

    2003-11-01

    In order to construct a set of orthonormalized basis vectors in a many-level shell model space, we introduced a new type of CFP in a previous paper [K. Takada, M. Sato and S. Yasumoto, Prog. Theor. Phys. 104 (2000), 173]. There, we also presented one of its analytic representations. In this paper, we improve that representation by making it much simpler and applicable to the case of the five-level. Using this improved representation, it is possible to develop a general-use computer program for the shell-model calculation.

  13. 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.

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

    PubMed Central

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

    2015-01-01

    Objective 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 depo medroxyprogesterone [DMPA] (to control ovarian cycle phase) in the baboon. Study Design Adult cycling female baboons were evaluated for tubal patency by hysterosalpinography (HSG) and then received a transcervical infusion of PF with (+) or without (−) an intramuscular injection of DMPA (3.5mg/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 one to three months after treatment for examination. Results 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 6/7 treated with 5% PF. Histologic evaluation suggested that 1% PF is associated with prolonged chronic inflammation (> 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). Conclusion 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%). Co-treatment with DMPA may improve treatment results with 5% PF but requires additional study. Implications A finding that a single transcervical treatment with 5% polidocanol foam can occlude the fallopian tubes of baboon supports further study of this approach as a novel

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

    PubMed

    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 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 aggregationfree 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 aggregationfree 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 DNAcondensation. 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 NAcondensation lends support to proposed NAcondensation picture based on the multivalent "ion binding shells."

  16. 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

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

    PubMed

    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 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 aggregationfree 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 aggregationfree 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 DNAcondensation. 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 NAcondensation lends support to proposed NAcondensation picture based on the multivalent "ion binding shells

  18. 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.

  19. Off-shell superconformal nonlinear sigma-models in three dimensions

    NASA Astrophysics Data System (ADS)

    Kuzenko, Sergei M.; Park, Jeong-Hyuck; Tartaglino-Mazzucchelli, Gabriele; von Unge, Rikard

    2011-01-01

    We develop superspace techniques to construct general off-shell mathcal{N} ≤ 4 super-conformal sigma-models in three space-time dimensions. The most general mathcal{N} = 3 and mathcal{N} = 4 superconformal sigma-models are constructed in terms of mathcal{N} = 2 chiral superfields. Several superspace proofs of the folklore statement that mathcal{N} = 3 supersymmetry implies mathcal{N} = 4 are presented both in the on-shell and off-shell settings. We also elaborate on (super)twistor realisations for (super)manifolds on which the three-dimensional mathcal{N} -extended superconformal groups act transitively and which include Minkowski space as a subspace.

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

    NASA Astrophysics Data System (ADS)

    Rossikhin, Yury A.; Shitikova, Marina V.

    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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. A Workstation Farm Optimized for Monte Carlo Shell Model Calculations : Alphleet

    NASA Astrophysics Data System (ADS)

    Watanabe, Y.; Shimizu, N.; Haruyama, S.; Honma, M.; Mizusaki, T.; Taketani, A.; Utsuno, Y.; Otsuka, T.

    We have built a workstation farm named ``Alphleet" which consists of 140 COMPAQ's Alpha 21264 CPUs, for Monte Carlo Shell Model (MCSM) calculations. It has achieved more than 90 % scalable performance with 140 CPUs when the MCSM calculation with PVM and 61.2 Gflops of LINPACK.

  8. 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.

  9. Simplified modeling of cluster-shell competition in {sup 20}Ne and {sup 24}Mg

    SciTech Connect

    Itagaki, N.; Cseh, J.; Ploszajczak, M.

    2011-01-15

    We investigate properties of the generator coordinate method (GCM) on a collective basis of antisymmetrized quasicluster states to describe the cluster-shell competition in {sup 20}Ne and {sup 24}Mg owing to the spin-orbit interaction. By introducing a single additional parameter in the antisymmetrized-cluster basis function, a continuous transformation of the {alpha} cluster(s) into independent nucleons can be described. We apply this GCM trial wave function to study in detail the transition from cluster states [{sup 16}O+{alpha}] and [{sup 16}O+{alpha}+{alpha}] to shell-model states [{sup 16}O+4N] and [{sup 16}O+8N], respectively. An optimal value of the strength of the spin-orbit interaction is deduced by reproducing level spacing in {sup 20}Ne. A possible connection to the group theoretical understanding of the cluster-shell configuration transition is also discussed.

  10. 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.

  11. 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.

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

    PubMed Central

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

    2015-01-01

    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. PMID:26404494

  13. 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.

  14. Unifying Algebraic and Large-Scale Shell-Model Approaches in Nuclear Structure Calculations

    NASA Astrophysics Data System (ADS)

    Draayer, Jerry P.

    1997-04-01

    The shell model is the most robust theory for addressing nuclear structure questions. Unfortunately, it is only as good as the input hamiltonian and the appropriateness of the selected model space, and both of these elements usually prove to be a significant challenge. There are three basic theories: 1) algebraic models, boson and fermion, which focus on symmetries, exact and approximate, of a hamiltonian and usually use model spaces that are severely truncated; 2) numerically oriented schemes that accommodate larger spaces but rely on special techniques and algorithms for producing convergent results; and 3) models that employ statistical concepts, like statistical spectroscopy of the 70s and 80s and Monte Carlo methods of the 90s, schemes that are not limited by the usual dimensionality considerations. These three approaches and their various realizations and extensions, with their pluses and minuses, will be considered. In addition, opportunities that exist for defining a scheme that employs the best of all three approaches to yield a symmetry adapted theory that is not limited to simplified spaces and hamiltonians and yet remains tractable even for large-scale calculations of the type that are required for testing a theory against experimental data and for predicting new physical phenomena will be explored. Special attention will be focused on unifying themes linking the shell-model with the simpler and yet highly successful mean-field and collective-model theories. As a example of the latter, some recent results using the symplectic shell model will be presented.

  15. Nuclear shell model calculations of the spin-dependent neutralino- nucleus cross sections

    SciTech Connect

    Ressell, M.T.; Aufderheide, M.B.; Bloom, S.D.; Mathews, G.J.; Resler, D.A. ); Griest, K. . Dept. of Physics)

    1992-11-01

    We describe nuclear shell model calculations of the spin-dependent elastic cross sections of supersymmetric particles on several nuclei, including [sup 73]Ge and [sup 29]Si, which are being used in the construction of dark matter detectors. To check the accuracy of the wave functions we have calculated excited state energy spectra, magnetic moments, and spectroscopic factors for each of the nuclei. Our results differ significantly from previous estimates based upon the independent single particle shell model and the odd group model. These differences are especially evident if the naive quark model estimates of the quark contribution to nucleon spin are correct. We also discuss the modifications that occur when finite momentum transfer between the neutralino and nucleus is included.

  16. 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

  17. General transformation of α cluster model wave function to jj-coupling shell model in various 4N nuclei

    NASA Astrophysics Data System (ADS)

    Itagaki, N.; Matsuno, H.; Suhara, T.

    2016-09-01

    The antisymmetrized quasi-cluster model (AQCM) is a method to describe transitions from the α cluster wave functions to jj-coupling shell model wave functions. In this model, the cluster-shell transition is characterized by only two parameters: R representing the distance between α clusters and Λ describing the breaking of α clusters. The contribution of the spin-orbit interaction, very important in the jj-coupling shell model, can be taken into account starting with the α cluster model wave function. In this article we show the generality of AQCM by extending the application to heavier regions: various 4N nuclei from 4He to 100Sn. The characteristic magic numbers of the jj-coupling shell model, 28 and 50, are described starting with the α cluster model. The competition of two different configurations is discussed in 20Ne (16O + one quasi-cluster and 12C + two quasi-clusters) and 28Si (pentagon shape of five quasi-clusters and 12C + 16O). Also, we compare the energy curves for the α + 40Ca cluster configuration calculated with and without the α breaking effect in 44Ti.

  18. 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. PMID:18034720

  19. Shell model calculations in the lead region: /sup 205/Hg, /sup 205/Tl, /sup 211/Po, and /sup 211/Bi

    SciTech Connect

    Silvestre-Brac, B.; Boisson, J.P.

    1981-08-01

    Exact shell model calculations for nuclei consisting of three nonidentical particles outside the /sup 208/Pb closed shell core have been performed using a basis that contains correlated pairs. Two kinds of effective interactions are tested and the results are compared with the experiment. The possibility of high spin isomeric states is suggested for nuclei studied.

  20. 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.

  1. Theoretical shell-model signatures in heavy-ion, coherent pion production

    NASA Technical Reports Server (NTRS)

    Maung, Khin M.; Deutchman, P. A.; Buvel, R. L.

    1992-01-01

    A comprehensive summary of a many-body, microscopic, particle-hole formalism is presented that describes coherent, subthreshold, pion production in peripheral, heavy-ion collisions. The formalism uses a new separable model transition interaction that produces Delta-hole states in either the projectile or target nucleus. Shell-model states described by harmonic oscillator functions are used in the calculation of Delta formation and decay and Lorentz-contraction effects of the nucleus not at rest are included. An analytical expression to lowest multipole order for the differential cross section is examined. The sensitivity of the theoretical results to the shell-model states is determined with preliminary shape results compared with data. The effects of higher multipoles are examined with attention paid to the second-order multipole value.

  2. Fatigue tests on the ITER PF jacket

    NASA Astrophysics Data System (ADS)

    Qin, Jinggang; Weiss, Klaus-Peter; Wu, Yu; Wu, Zhixiong; Li, Laifeng; Liu, Sheng

    2012-10-01

    This paper focuses on fatigue tests on the ITER Poloidal Field (PF) jacket made of 316L stainless steel material. During manufacture, the conductor will be compacted and spooled after cable insertion. Therefore, sample jackets were prepared under compaction, bending and straightening in order to simulate the status of PF conductor during manufacturing and winding. The fatigue properties of materials were measured at T < 7 K, including S-N and fatigue crack growth rate (FCGR). The testing results show that the present Chinese PF jacket has good fatigue properties, which conclude that the results are accordant with the requirements of ITER.

  3. Equivalence between local Fermi gas and shell models in inclusive muon capture from nuclei

    NASA Astrophysics Data System (ADS)

    Amaro, J. E.; Maieron, C.; Nieves, J.; Valverde, M.

    2005-06-01

    Motivated by recent studies of inclusive neutrino nucleus processes and muon capture within a correlated local Fermi gas model (LFG), we discuss the relevance of nuclear finite-size effects in these reactions at low energy, in particular for muon capture. To disentangle these effects from others coming from the reaction dynamics we employ here a simple uncorrelated shell model that embodies the typical finite-size content of the problem. The integrated decay widths of muon atoms calculated with this shell model are then compared for several nuclei with those obtained within the uncorrelated LFG, using in both models exactly the same theoretical ingredients and parameters. We find that the two predictions are in quite good agreement, within 1-7%, when the shell model density and the correct energy balance is used as input in the LFG calculation. The present study indicates that, despite the low excitation energies involved in the reaction, integrated inclusive observables, like the total muon capture width, are quite independent of the fine details of the nuclear wave functions.

  4. 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

  5. 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.

  6. One-Dimensional σ-MODELS with N = 5, 6, 7, 8 Off-Shell Supersymmetries

    NASA Astrophysics Data System (ADS)

    Gonzales, M.; Rojas, M.; Toppan, F.

    We computed the actions for the one-dimensional (1D) N = 5 σ-models with respect to the two inequivalent (2, 8, 6) multiplets. Four supersymmetry generators are manifest, while the constraint originated by imposing the fifth supersymmetry automatically induces a full N = 8 off-shell invariance. The resulting action coincides in the two cases and corresponds to a conformally flat 2D target satisfying a special geometry of rigid type. To obtain these results we developed a computational method (for Maple 11) which does not require the notion of superfields and is instead based on the nowadays available list of the inequivalent representations of the 1D N-extended supersymmetry. Its application to systematically analyze the σ-models off-shell invariant actions for the remaining N = 5, 6, 7, 8 (k, 8, 8-k) multiplets, as well as for the N>8 representations, only requires more cumbersome computations.

  7. 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.

  8. Overlap functions, spectroscopic factors, and asymptotic normalization coefficients generated by a shell-model source term

    SciTech Connect

    Timofeyuk, N. K.

    2010-06-15

    Overlap functions for one-nucleon removal are calculated as solutions of the inhomogeneous equation. The source term for this equation is generated by the 0(Planck constant/2pi)omega no-core shell-model wave functions and the effective nucleon-nucleon (NN) interactions that fit oscillator matrix elements derived from the NN scattering data. For the lightest A<=4 nuclei this method gives reasonable agreement with exact ab initio calculations. For 4shell-model values. This deviation correlates with nucleon separation energies and follows a similar trend seen in the reduction factor of the nucleon knockout cross sections. Comparison with the overlap functions and spectroscopic factors obtained in the variational Monte Carlo method is presented and discussed.

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. A constrained-path quantum Monte-Carlo approach for the nuclear shell model

    NASA Astrophysics Data System (ADS)

    Bonnard, Jérémy; Juillet, Olivier

    2016-06-01

    A new QMC approach for the shell model yielding nearly exact spectroscopy of nuclei is presented. The originality of the formalism lies in the use of a variational symmetry-restored wave function to ‘steer’ the Brownian motion, and to control the sign/phase problem that generally makes the traditional QMC samplings totally ineffective by causing a prohibitive growth of the statistical errors. Tests of convergence and proof-of-principle results are reported.

  14. Lattice dynamics and spin-phonon interactions in multiferroic RMn2O5: Shell model calculations

    NASA Astrophysics Data System (ADS)

    Litvinchuk, A. P.

    2009-08-01

    The results of the shell model lattice dynamics calculations of multiferroic RMn2O5 materials (space group Pbam) are reported. Theoretical even-parity eigenmode frequencies are compared with those obtained experimentally in polarized Raman scattering experiments for R=Ho,Dy. Analysis of displacement patterns allows to identify vibrational modes which facilitate spin-phonon coupling by modulating the Mn-Mn exchange interaction and provides explanation of the observed anomalous temperature behavior of phonons.

  15. 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.

  16. Maslow's need hierarchy and Cattell's 16PF.

    PubMed

    Sasek, J; Wakefield, J A

    1976-01-01

    Canonical correlation analysis was used to investigate the overall relationship between the Sixteen Personality Factors Questionnaire (16PF) and the Work Motivation Inventory (WMI). The results indicated that the two instruments shared two independent components which accounted for 30% of their total variance. The results provide some support for the validity of both devices and provide a link between the factorially constructed 16PF and Maslow's personality theory.

  17. 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.

  18. 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.

  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. A shell model for the H-bonded ferroelectric KH 2PO 4

    NASA Astrophysics Data System (ADS)

    Lasave, J.; Kohanoff, J.; Migoni, R. L.; Koval, S.

    2009-10-01

    A shell model for KH 2PO 4 (KDP), the prototype compound of the family of H-bonded ferroelectric materials, has been constructed by adjusting the interaction parameters to first-principles calculations. Structural properties, energy barriers, phonons, and the relative stability between the ferroelectric (FE) phase and a relevant antiferroelectric metastable structure associated to domain walls, compare very favorably to available first-principles and experimental data. Molecular dynamics simulations show that the model behaves satisfactorily within the FE phase. This model will be used to study the elusive structure of the paraelectric (PE) phase and the nature of the FE-PE phase transition.

  1. Large-scale shell model calculations for even-even 62-66Fe isotopes

    NASA Astrophysics Data System (ADS)

    Srivastava, P. C.; Mehrotra, I.

    2009-10-01

    The recently measured experimental data of Legnaro National Laboratories on neutron-rich even isotopes of 62-66Fe with A = 62, 64, 66 have been interpreted in the framework of a large-scale shell model. Calculations have been performed with a newly derived effective interaction GXPF1A in full fp space without truncation. The experimental data are very well explained for 62Fe, satisfactorily reproduced for 64Fe and poorly fitted for 66Fe. The increasing collectivity reflected in experimental data when approaching N = 40 is not reproduced in calculated values. This indicates that whereas the considered valence space is adequate for 62Fe, inclusion of higher orbits from the sdg shell is required for describing 66Fe.

  2. β-decay half-life of V50 calculated by the shell model

    NASA Astrophysics Data System (ADS)

    Haaranen, M.; Srivastava, P. C.; Suhonen, J.; Zuber, K.

    2014-10-01

    In this work we survey the detectability of the β- channel of 2350V leading to the first excited 2+ state in 2450Cr. The electron-capture (EC) half-life corresponding to the transition of 2350V to the first excited 2+ state in 2250Ti had been measured earlier. Both of the mentioned transitions are 4th-forbidden non-unique. We have performed calculations of all the involved wave functions by using the nuclear shell model with the GXPF1A interaction in the full f-p shell. The computed half-life of the EC branch is in good agreement with the measured one. The predicted half-life for the β- branch is in the range ≈2×1019 yr whereas the present experimental lower limit is 1.5×1018 yr. We discuss also the experimental lay-out needed to detect the β--branch decay.

  3. 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.

  4. Rate theory of solvent exchange and kinetics of Li(+) - BF4 (-)/PF6 (-) ion pairs in acetonitrile.

    PubMed

    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.

  5. Rate theory of solvent exchange and kinetics of Li(+) - BF4 (-)/PF6 (-) ion pairs in acetonitrile.

    PubMed

    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. PMID:27608999

  6. 3-Dimensional modeling of large diameter wire array high intensity K-shell radiation sources.

    SciTech Connect

    Giuliani, J. L.; Waisman, Eduardo Mario; Chittenden, Jeremy Paul; Jennings, Christopher A.; Ampleford, David J.; Yu, Edmund P.; Thornhill, Joseph W.; Cuneo, Michael Edward; Coverdale, Christine Anne; Jones, Brent Manley; Hansen, Stephanie B.

    2010-06-01

    Large diameter nested wire array z-pinches imploded on the Z-generator at Sandia National Laboratories have been used extensively to generate high intensity K-shell radiation. Large initial radii are required to obtain the high implosion velocities needed to efficiently radiate in the K-shell. This necessitates low wire numbers and large inter-wire gaps which introduce large azimuthal non-uniformities. Furthermore, the development of magneto-Rayleigh-Taylor instabilities during the implosion are known to generate large axial non-uniformity These effects motivate the complete, full circumference 3-dimensional modeling of these systems. Such high velocity implosions also generate large voltages, which increase current losses in the power feed and limit the current delivery to these loads. Accurate representation of the generator coupling is therefore required to reliably represent the energy delivered to, and the power radiated from these sources. We present 3D-resistive MHD calculations of the implosion and stagnation of a variety of large diameter stainless steel wire arrays (hv {approx} 6.7 keV), imploded on the Z-generator both before and after its refurbishment. Use of a tabulated K-shell emission model allows us to compare total and K-shell radiated powers to available experimental measurements. Further comparison to electrical voltage and current measurements allows us to accurately assess the power delivered to these loads. These data allow us to begin to constrain and validate our 3D MHD calculations, providing insight into ways in which these sources may be further optimized.

  7. 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.

  8. 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.

  9. Shell and solid modeling for structural body-in-white part

    NASA Astrophysics Data System (ADS)

    Senin, Azman; Nopiah, Zulkifli Mohd; Jamaludin, Muhammad Jamhuri; Abidin, Mohd Azmir; Zaudin, Muhamad Azuan; Ahmad, Muhammad Afzal; Zakaria, Ahmad

    2013-12-01

    Finite-Element Analysis (FEA) is a numerical method that facilitates designers to produce a part with the high degree of reliability. These advantages allow manufacturing engineer to produce a virtual tool prototype. This approach has eliminated the requirement to manufacture the prototype model from soft tool parts and soft tool press die. This research focuses on the numerical experiments for an advanced high-strength steel part in Body-in-White. The patchwork blank sheet of a structural body in white is modeled with three conditions - shell elements without spot welding nuggets, Shell elements with spot welding nuggets and Solid elements. Shell elements are usually the obvious choice in the blank in sheet metal forming simulation primarily due to the rapid and fairly accurate results generated. Solid elements of the other hand require extremely high computation time. The main objective of this study is to critically compare plastic deformation results obtained from three approaches on a B-Pillar part with 1.75mm thickness. The finite-element models are developed from the CAD data of production tool and blank material. The blank material is meshed with quad elements for optimized computing time and results. The input parameters for the simulation models are obtained from the current setup at Press Machine and Production Tool. The analyses of plastic deformation for all three blank material models are compared to the actual part thickness. Percentage of deviation from the actual part geometry will indicate the best approach in producing finite-element models for Hot forming process.

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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. PMID:15169407

  16. 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.

  17. 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.

  18. 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.

  19. General hypothesis and shell model for the synthesis of semiconductor nanotubes, including carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Mohammad, S. Noor

    2010-09-01

    Semiconductor nanotubes, including carbon nanotubes, have vast potential for new technology development. The fundamental physics and growth kinetics of these nanotubes are still obscured. Various models developed to elucidate the growth suffer from limited applicability. An in-depth investigation of the fundamentals of nanotube growth has, therefore, been carried out. For this investigation, various features of nanotube growth, and the role of the foreign element catalytic agent (FECA) in this growth, have been considered. Observed growth anomalies have been analyzed. Based on this analysis, a new shell model and a general hypothesis have been proposed for the growth. The essential element of the shell model is the seed generated from segregation during growth. The seed structure has been defined, and the formation of droplet from this seed has been described. A modified definition of the droplet exhibiting adhesive properties has also been presented. Various characteristics of the droplet, required for alignment and organization of atoms into tubular forms, have been discussed. Employing the shell model, plausible scenarios for the formation of carbon nanotubes, and the variation in the characteristics of these carbon nanotubes have been articulated. The experimental evidences, for example, for the formation of shell around a core, dipole characteristics of the seed, and the existence of nanopores in the seed, have been presented. They appear to justify the validity of the proposed model. The diversities of nanotube characteristics, fundamentals underlying the creation of bamboo-shaped carbon nanotubes, and the impurity generation on the surface of carbon nanotubes have been elucidated. The catalytic action of FECA on growth has been quantified. The applicability of the proposed model to the nanotube growth by a variety of mechanisms has been elaborated. These mechanisms include the vapor-liquid-solid mechanism, the oxide-assisted growth mechanism, the self

  20. 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…

  1. 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.

  2. 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.

  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. Investigation of band termination in the lower fp shell within the cranked relativistic mean field model

    NASA Astrophysics Data System (ADS)

    Bhagwat, A.; Wyss, R.; Satuła, W.; Meng, J.; Gambhir, Y. K.

    2013-04-01

    The excitation energy difference (ΔE) between the terminating states built on the f7/2n and d3/2-1f7/2n+1 configurations (here, 'n' denotes the number of valence particles outside the 40Ca core and the particle hole excitation across the magic gap 20 is of proton type) in the lower fp shell are studied systematically within the framework of the cranked relativistic mean field model. The ΔE thus defined, depends predominantly on the f7/2 - d3/2 shell gap, and its evolution as a function of neutron - proton asymmetry. The latter, in turn, depends on the isoscalar - isovector balance in the spin - orbit potential. Therefore, a systematic investigation of the difference ΔE is expected to test quantitatively the predicted shell gaps as a function of isospin. We find that: 1) the conventional NL3 parameter set over estimates the ΔE values, implying that the said shell gap is over - estimated in this parametrization and 2) the largest deviation between the calculated and the experimental values of ΔE is obtained for the nucleus with the smallest asymmetry value in the set of nuclei considered, and that the deviation decreases with increasing asymmetry, indicating that the in RMF parametrization considered, the isoscalar - isovector balance in the spin - orbit potential requires improvement. We carry out a re - fit of the RMF parameters to attempt a remedy to these two problems. We find that in addition to the binding energies and charge radii, if a constraint is put on the f7/2 - d3/2 shell gap in the fit to the Lagrangian parameters, the overall agreement of ΔE with the experiment improves significantly, without disturbing the agreement already achieved for the bulk properties of the nuclei spanning the entire periodic table. At a finer level, however, it is found that the isoscalar - isovector balance in the spin orbit interaction is required to be improved further. A detailed work in this direction is in progress.

  5. Shell model based Coulomb excitation γ-ray intensity calculations in 107Sn

    NASA Astrophysics Data System (ADS)

    DiJulio, D. D.; Cederkall, J.; Ekström, A.; Fahlander, C.; Hjorth-Jensen, M.

    2012-10-01

    In this work, we present recent shell model calculations, based on a realistic nucleon-nucleon interaction, for the light 107, 109Sn nuclei. By combining the calculations with the semi-classical Coulomb excitation code GOSIA, a set of γ-ray intensities has been generated. The calculated intensities are compared with the data from recent Coulomb excitation studies in inverse kinematics at the REX-ISOLDE facility with the nucleus 107Sn. The results are discussed in the context of the ordering of the single-particle orbits relative to 100Sn.

  6. Analytical Derivations of Single-Particle Matrix Elements in Nuclear Shell Model

    NASA Astrophysics Data System (ADS)

    Fatah, Aziz H.; Radhi, R. A.; Abdullah, Nzar R.

    2016-07-01

    We present analytical method to calculate single particle matrix elements used in atomic and nuclear physics. We show seven different formulas of matrix elements of the operator f(r)dr m where f(r) = rμ, rμ jJ(qr), V(r) corresponding to the Gaussian and the Yukawa potentials used in nuclear shell models and nuclear structure. In addition, we take into account a general integral formula of the matrix element that covers all seven matrix elements obtained analytically.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Radio polarization maps of shell-type supernova remnants - I. Effects of a random magnetic field component and thin-shell models

    NASA Astrophysics Data System (ADS)

    Bandiera, R.; Petruk, O.

    2016-06-01

    The maps of intensity and polarization of the radio synchrotron emission from shell-type supernova remnants (SNRs) contain a considerable amount of information, although of not easy interpretation. With the aim of deriving constraints on the 3D spatial distribution of the emissivity, as well as on the structure of both ordered and random magnetic fields (MFs), we present here a scheme to model maps of the emission and polarization in SNRs. We first generalize the classical treatment of the synchrotron emission to the case in which the MF is composed of an ordered MF plus an isotropic random component, with arbitrary relative strengths. For a power-law particle energy distribution, we derive analytic formulae that formally resemble those for the classical case. We also treat the shock compression of a fully random upstream field and we predict that the polarization fraction in this case should be higher than typically measured in SNRs. We implement the above treatment into a code, which simulates the observed polarized emission of an emitting shell, taking into account also the effect of the internal Faraday rotation. Finally, we show simulated maps for different orientations with respect to the observer, levels of the turbulent MF component, Faraday rotation levels, distributions of the emissivity (either barrel-shaped or limited to polar caps) and geometries for the ordered MF component (either tangential to the shell or radial). Their analysis allows us to outline properties useful for the interpretation of radio intensity and polarization maps.

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. Identification of active Plasmodium falciparum calpain to establish screening system for Pf-calpain-based drug development

    PubMed Central

    2013-01-01

    Background With the increasing resistance of malaria parasites to available drugs, there is an urgent demand to develop new anti-malarial drugs. Calpain inhibitor, ALLN, is proposed to inhibit parasite proliferation by suppressing haemoglobin degradation. This provides Plasmodium calpain as a potential target for drug development. Pf-calpain, a cysteine protease of Plasmodium falciparum, belongs to calpain-7 family, which is an atypical calpain not harboring Ca2+-binding regulatory motifs. In this present study, in order to establish the screening system for Pf-calpain specific inhibitors, the active form of Pf-calpain was first identified. Methods Recombinant Pf-calpain including catalytic subdomain IIa (rPfcal-IIa) was heterologously expressed and purified. Enzymatic activity was determined by both fluorogenic substrate assay and gelatin zymography. Molecular homology modeling was carried out to address the activation mode of Pf-calpain in the aspect of structural moiety. Results Based on the measurement of enzymatic activity and protease inhibitor assay, it was found that the active form of Pf-calpain only contains the catalytic subdomain IIa, suggesting that Pf-calpain may function as a monomeric form. The sequence prediction indicates that the catalytic subdomain IIa contains all amino acid residues necessary for catalytic triad (Cys-His-Asn) formation. Molecular modeling suggests that the Pf-calpain subdomain IIa makes an active site, holding the catalytic triad residues in their appropriate orientation for catalysis. The mutation analysis further supports that those amino acid residues are functional and have enzymatic activity. Conclusion The identified active form of Pf-calpain could be utilized to establish high-throughput screening system for Pf-calpain inhibitors. Due to its unique monomeric structural property, Pf-calpain could be served as a novel anti-malarial drug target, which has a high specificity for malaria parasite. In addition, the monomeric

  17. The Structure of the Homunculus. II. Modeling the Physical Conditions in η Carinae's Molecular Shell

    NASA Astrophysics Data System (ADS)

    Smith, Nathan; Ferland, Gary J.

    2007-02-01

    We present models that reproduce the observed double-shell structure of the Homunculus Nebula around η Carinae, including the stratification of infrared H2 and [Fe II] emission seen in data obtained with the Phoenix spectrograph on Gemini South, as well as the corresponding stratified grain temperature seen in thermal-infrared data. Tuning the model to match the observed shell thickness allows us to determine the threshold density that permits survival of H2. An average density of nH~=(0.5-1)×107 cm-3 in the outer zone is required to allow H2 to exist at all latitudes in the nebula, and for Fe+ to recombine to Fe0. This gives independent confirmation of the very large mass of the Homunculus, indicating a total of roughly 15-35 Msolar (although we note reasons why the lower end of this range is favored). At the interface between the atomic and molecular zones, we predict a sharp drop in the dust temperature, in agreement with the bimodal dust color temperatures observed in the two zones. In the outer molecular shell, the dust temperature drops to nearly the blackbody temperature, and becomes independent of grain size because of self-shielding at shorter UV wavelengths and increased heating at longer wavelengths. This relaxes constraints on large grain sizes suggested by near-blackbody color temperatures. Finally, from the strength of infrared [Fe II] emission in the inner shell we find that the gas-phase Fe abundance is roughly solar. This is astonishing in such a dusty object, where one normally expects gaseous iron to be depleted by 2 orders of magnitude. Based in part on observations obtained at the Gemini Observatory, which is operated by AURA, under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (US), the Particle Physics and Astronomy Research Council (UK), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), CNPq (Brazil), and CONICET (Argentina).

  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. 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.

  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. Numerical modelling of impedance spectra of ionic conductor-insulator core-shell composites

    NASA Astrophysics Data System (ADS)

    Laugier, J.-M.; Raymond, L.; Albinet, G.; Knauth, P.

    2011-09-01

    Impedance spectra of ionic conductor-insulator core-shell composites are simulated in Cole-Cole and Bode representation using a 3D lattice of parallel resistance-capacitance elements. The composite model is based on a random ternary network, considering three impedance elements: good conductor (representing interface regions), conductor and insulator. The favourable interactions between the two phases lead to a significant non-random situation versus usual percolation models. Two percolation transitions are well observed: the first corresponds to ionic conduction enhancement by space charge layers. After the second transition, the conduction pathways are blocked by the insulator and the conductivity drops dramatically. Experimental impedance spectra of model copper- and lithium-ion conducting composites and nanocomposites are in good agreement with the simulation. The dc conductivity maximum can be described by a master equation: σmax ~ N-0.79 where N is proportional to the ionic conductor grain size.

  2. Shell-model analysis of the 136Xe double beta decay nuclear matrix elements.

    PubMed

    Horoi, M; Brown, B A

    2013-05-31

    Neutrinoless double beta decay, if observed, could distinguish whether the neutrino is a Dirac or a Majorana particle, and it could be used to determine the absolute scale of the neutrino masses. 136Xe is one of the most promising candidates for observing this rare event. However, until recently there were no positive results for the allowed and less rare two-neutrino double beta decay mode. The small nuclear matrix element associated with the long half-life represents a challenge for nuclear structure models used for its calculation. We report a new shell-model analysis of the two-neutrino double beta decay of 136Xe, which takes into account all relevant nuclear orbitals necessary to fully describe the associated Gamow-Teller strength. We further use the new model to analyze the main contributions to the neutrinoless double beta decay matrix element, and show that they are also diminished.

  3. 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.

  4. 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.

  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. 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

  8. Role of Tensor Force in Light Nuclei Based on the Tensor Optimized Shell Model

    SciTech Connect

    Myo, Takayuki; Umeya, Atsushi; Ikeda, Kiyomi; Valverde, Manuel; Toki, Hiroshi

    2011-10-21

    We propose a new theoretical approach to describe nucleus using bare nuclear interaction, in which the tensor and short-range correlations are described with the tensor optimized shell model (TOSM) and the unitary correlation operator method (UCOM), respectively. We show the obtained results of He isotopes using TOSM+UCOM, such as the importance of the pn-pair correlated by the tensor force, and the structure differences in the LS partners of 3/2{sup -} and 1/2{sup -} states of {sup 5}He. We also apply TOSM to the analysis of two-neutron halo nucleus {sup 11}Li, on the basis of the ''core described in TOSM''+n+n model. The halo formation of {sup 11}Li is naturally explained, in which the tensor correlation in the {sup 9}Li core is Pauli-blocked on the p-wave neutrons in {sup 11}Li and the s-wave component of halo structure is enhanced.

  9. 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.

  10. {alpha}-cluster structure above doubly closed shells in a generalized density-dependent cluster model

    SciTech Connect

    Ni Dongdong; Ren Zhongzhou

    2011-01-15

    An extension of the generalized density-dependent cluster model (GDDCM) is presented to study {alpha}-cluster structure above doubly closed shells. In all cases, the microscopic {alpha}-core potential is numerically constructed in the double-folding model with CDM3Y6 nucleon-nucleon interactions plus proton-proton Coulomb interactions. The properties of intraband E2 transitions and {alpha} decays are calculated by the exact solution of the Schroedinger equation with appropriate boundary conditions. It is found that the enhanced B(E2) transition strengths are well reproduced without any effective charge and the calculations of {alpha}-decay properties show good agreement with the available experimental data. This indicates that the GDDCM has universal applicability and equal validity regardless of whether the {alpha}-cluster states are in light or heavy nuclei.

  11. 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.

  12. Shell-model configuration-interaction description of quadrupole collectivity in Te isotopes

    NASA Astrophysics Data System (ADS)

    Qi, Chong

    2016-09-01

    Systematic calculations on the spectroscopy and transition properties of even-even Te isotopes are carried out by using the large-scale shell-model configuration-interaction approach with a realistic interaction. These nuclei are of particular interest since their yrast spectra show a vibrational-like equally spaced pattern whereas the few known E 2 transitions show rotational-like behavior. This cannot be explained by available collective models. My calculations reproduce well the equally spaced spectra of those isotopes as well as the constant behavior for the B (E 2 ) values of 114Te. The calculated B (E 2 ) values of neutron-deficient and heavier Te isotopes show contrasting different behaviors along the yrast line. The B (E 2 ) of light isotopes can exhibit a nearly constant behavior up to high spins. It is shown that this is related to the enhanced neutron-proton correlation when approaching N =50 .

  13. Mapping and modeling of a strain-specific epitope in the Norwalk virus capsid inner shell.

    PubMed

    Parra, Gabriel I; Sosnovtsev, Stanislav V; Abente, Eugenio J; Sandoval-Jaime, Carlos; Bok, Karin; Dolan, Michael A; Green, Kim Y

    2016-05-01

    Noroviruses are diverse positive-strand RNA viruses associated with acute gastroenteritis. Cross-reactive epitopes have been mapped primarily to conserved sequences in the capsid VP1 Shell (S) domain, and strain-specific epitopes to the highly variable Protruding (P) domain. In this work, we investigated a strain-specific linear epitope defined by MAb NV10 that was raised against prototype (Genogroup I.1) strain Norwalk virus (NV). Using peptide scanning and mutagenesis, the epitope was mapped to amino acids 21-32 (LVPEVNASDPLA) of the NV S domain, and its specificity was verified by epitope transfer and reactivity with a recombinant MAb NV10 single-chain variable fragment (scFv). Comparative structural modeling of the NV10 strain-specific and the broadly cross-reactive TV20 epitopes identified two internal non-overlapping sites in the NV shell, corresponding to variable and conserved amino acid sequences among strains, respectively. The S domain, like the P domain, contains strain-specific epitopes that contribute to the antigenic diversity among the noroviruses. PMID:26971245

  14. Refinement of the primary hydration shell model for molecular dynamics simulations of large proteins

    PubMed Central

    Hamaneh, Mehdi Bagheri; Buck, Matthias

    2009-01-01

    A realistic representation of water molecules is important in molecular dynamics simulation of proteins. However, the standard method of solvating biomolecules, i.e. immersing them in a box of water with periodic boundary conditions, is computationally expensive. The primary hydration shell (PHS) method, developed more than a decade ago and implemented in CHARMM, uses only a thin shell of water around the system of interest, and so greatly reduces the computational cost of simulations. Applying the PHS method, especially to larger proteins, revealed that further optimization and a partial reworking was required and here we present several improvements to its performance. The model is applied to systems with different sizes, and both water and protein behaviors are compared with those observed in standard simulations with periodic boundary conditions and, in some cases, with experimental data. The advantages of the modified PHS method over its original implementation are clearly apparent when it is applied to simulating the 82 KD protein Malate Synthase G. PMID:19382175

  15. Shell shock at Maghull and the Maudsley: models of psychological medicine in the UK.

    PubMed

    Jones, Edgar

    2010-07-01

    The shell-shock epidemic of 1915 challenged the capacity and expertise of the British Army's medical services. What appeared to be a novel and complex disorder raised questions of causation and treatment. To address these pressing issues, Moss Side Military Hospital at Maghull became a focus for experiment in the developing field of psychological medicine as clinicians from diverse backgrounds and disciplines were recruited and trained at this specialist treatment unit. By contrast, the Maudsley wing of 4th London General Hospital expanded from the neurology department of King's College Medical School and drew upon the neuropathology research of Frederick Mott at Claybury Asylum. By focusing on the psychodynamics of environmental factors, doctors at Maghull offered an alternative to the physicalist hypotheses (heredity and neuropathy acquired as a result of disease or aberrant behavior) explored at the Maudsley. To understand the cause and pathology of shell shock, both institutions admitted a diverse range of patients and experimented with treatments. The individual attention offered to service patients who were not psychotic allowed psychiatry to develop in a way that had not been possible in the county asylum system. The design and operation of Maghull and the Maudsley provided models for departments of psychological medicine in the post-war period.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Potentially functional SNPs (pfSNPs) as novel genomic predictors of 5-FU response in metastatic colorectal cancer patients.

    PubMed

    Wang, Jingbo; Wang, Xu; Zhao, Mingjue; Choo, Su Pin; Ong, Sin Jen; Ong, Simon Y K; Chong, Samuel S; Teo, Yik Ying; Lee, Caroline G L

    2014-01-01

    5-Fluorouracil (5-FU) and its pro-drug Capecitabine have been widely used in treating colorectal cancer. However, not all patients will respond to the drug, hence there is a need to develop reliable early predictive biomarkers for 5-FU response. Here, we report a novel potentially functional Single Nucleotide Polymorphism (pfSNP) approach to identify SNPs that may serve as predictive biomarkers of response to 5-FU in Chinese metastatic colorectal cancer (CRC) patients. 1547 pfSNPs and one variable number tandem repeat (VNTR) in 139 genes in 5-FU drug (both PK and PD pathway) and colorectal cancer disease pathways were examined in 2 groups of CRC patients. Shrinkage of liver metastasis measured by RECIST criteria was used as the clinical end point. Four non-responder-specific pfSNPs were found to account for 37.5% of all non-responders (P<0.0003). Five additional pfSNPs were identified from a multivariate model (AUC under ROC = 0.875) that was applied for all other pfSNPs, excluding the non-responder-specific pfSNPs. These pfSNPs, which can differentiate the other non-responders from responders, mainly reside in tumor suppressor genes or genes implicated in colorectal cancer risk. Hence, a total of 9 novel SNPs with potential functional significance may be able to distinguish non-responders from responders to 5-FU. These pfSNPs may be useful biomarkers for predicting response to 5-FU.

  1. The 16PF Tradition in Contemporary Personality Assessment.

    ERIC Educational Resources Information Center

    Krug, Samuel E.

    The 16 Personality Factor Questionnaire (16PF), which is reviewed historically in this essay, represents a unique and significant chapter in the history of personality assessment. During the first 20 years of its existence, the 16PF underwent numerous revisions and restandardizations. During that period, R. B. Cattell, the creator of the 16PF,…

  2. 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.

  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. 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.

  5. 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.

  6. 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.

  7. Beam wander of random electromagnetic Gaussian-shell model vortex beams propagating through a Kolmogorov turbulence

    NASA Astrophysics Data System (ADS)

    Wu, Guohua; Dai, Wen; Tang, Hua; Guo, Hong

    2015-02-01

    Beam wander of random electromagnetic Gaussian-Shell model (EGSM) vortex beams propagating through atmospheric turbulence is investigated. We develop the expression for beam wander of random EGSM vortex beams in theory. The effects of topological charge, turbulence strength, initial spatially coherent length, transverse scale, and wavelength on beam wander are illustrated numerically. The numerical results show that vortex beams with both positive and negative topological charges have the same beam wander, decreasing the coherent length and decreasing the transverse scale, or increasing the topological charge, can decrease the beam wander. In free-space optical (FSO) communication, we can choose beams with smaller coherent length, smaller wavelength, and larger topological charge to reduce beam wander.

  8. Characterizing the nucleation flux of linked-flux model for core-shell composite nucleus

    NASA Astrophysics Data System (ADS)

    Iwamatsu, Masao

    2013-05-01

    The kinetics of nucleation of a core-shell composite nucleus that consists of a core of stable final phase surrounded by a wetting layer of an intermediate metastable phase is studied using the linked-flux model where the nucleation flux is considered in the two-dimensional space of stable and metastable components. The steady-state solution of the Fokker-Planck equation is considered not only in the size and composition space but also in the component space. It is shown that the kinetics of critical nucleus at the saddle point is more appropriately characterized in the size and composition space, while the kinetics of the post-critical nucleus is more appropriately described in the component space. Although both the free-energy landscape and the reaction rates play decisive role to determine the kinetics of nucleation at the saddle point, the details of the free energy landscape are irrelevant to the kinetics of the post critical nucleus.

  9. 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.

  10. Infrared length scale and extrapolations for the no-core shell model

    NASA Astrophysics Data System (ADS)

    Wendt, K. A.; Forssén, C.; Papenbrock, T.; Sääf, D.

    2015-06-01

    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 . We also attempt to extrapolate NCSM results for 10B and 16O with bare interactions from chiral effective field theory over tens of MeV.

  11. Infrared length scale and extrapolations for the no-core shell model

    DOE PAGES

    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 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

  12. 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.

  13. 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.

  14. 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.

  15. Static analysis of reinforced thin-walled plates and shells by means of finite element models

    NASA Astrophysics Data System (ADS)

    Carrera, E.; Zappino, E.; Cavallo, T.

    2016-03-01

    In this paper, variable kinematic one-dimensional (1D) structural models have been used to analyze thin-walled structures with longitudinal stiffeners and static loads. These theories have hierarchical features and are based on the Carrera Unified Formulation (CUF). CUF describes the displacement field of a slender structure as the product of two function expansions, one over the cross-sectional coordinates, Taylor (TE) or Lagrange (LE) expansions were used here, and one along the beam axis. The results obtained using the refined 1D models have been compared with those from classical finite element analyses that make use of plates/shells and solids elements. The performances of classical and refined structural models have been compared in terms of accuracy and computational costs. The results show that the use of the LE over the cross-section allows the strain/stress fields to be evaluated accurately for all the structural components. The comparisons with the results obtained using the classical models highlight how, the use of 1D refined models, allows the number of degrees of freedom (DOF) to be reduced, meanwhile, the accuracy of the results can be preserved.

  16. 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

  17. PENTRAN Modeling for Design and Optimization of the Spherical-Shell Transmission Experiments

    SciTech Connect

    Kucukboyaci, Vefa; Haghighat, Alireza; Adams, James M.; Carlson, Allan D.; Grimes, Steven M.; Massey, Thomas N.

    2001-06-17

    The development of PENTRAN models and new methodologies for accurate and efficient simulations for the design and analysis of time-of-flight (TOF) experiments is discussed. The experimental setup measures the transmission of accelerator-generated neutrons (E > 1 MeV) through spherical iron shells using the TOF spectroscopy. The TOF facility includes a collimator, a thick wall with a hole, a TOF tunnel, and a detector placed {approx}620 cm from the neutron source. The goal of the experiment is to correlate the measured spectrum to different types of interactions, such as the total nonelastic-scattering cross section and its various components. The development of several 3-D PENTRAN models and the effectiveness of new quadrature sets are discussed. Initial calculations by means of the developed 3-D discrete ordinates model of the TOF experimental setup using the PENTRAN code with the S{sub 20} level-symmetric quadrature resulted in inaccurate solutions due to ray effects. To overcome this difficulty, new quadrature sets with local refinement capability were used. These new quadrature sets allowed more accurate, yet efficient, calculations. This study indicated that for the TOF model the P{sub n}-T{sub n} (Chebyshev) set with ordinate-splitting yields accurate results in a relatively short time.

  18. 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.

  19. Development of two mix model postprocessors for the investigation of shell mix in indirect drive implosion cores

    SciTech Connect

    Welser-Sherrill, L.; Mancini, R. C.; Haynes, D. A.; Haan, S. W.; Koch, J. A.; Izumi, N.; Tommasini, R.; Golovkin, I. E.; MacFarlane, J. J.; Radha, P. B.; Delettrez, J. A.; Regan, S. P.; Smalyuk, V. A.

    2007-07-15

    The presence of shell mix in inertial confinement fusion implosion cores is an important characteristic. Mixing in this experimental regime is primarily due to hydrodynamic instabilities, such as Rayleigh-Taylor and Richtmyer-Meshkov, which can affect implosion dynamics. Two independent theoretical mix models, Youngs' model and the Haan saturation model, were used to estimate the level of Rayleigh-Taylor mixing in a series of indirect drive experiments. The models were used to predict the radial width of the region containing mixed fuel and shell materials. The results for Rayleigh-Taylor mixing provided by Youngs' model are considered to be a lower bound for the mix width, while those generated by Haan's model incorporate more experimental characteristics and consequently have larger mix widths. These results are compared with an independent experimental analysis, which infers a larger mix width based on all instabilities and effects captured in the experimental data.

  20. Extrapolation methods for obtaining low-lying eigenvalues of a large-dimensional shell model Hamiltonian matrix

    SciTech Connect

    Yoshinaga, N.; Arima, A.

    2010-04-15

    We propose some new, efficient, and practical extrapolation methods to obtain a few low-lying eigenenergies of a large-dimensional Hamiltonian matrix in the nuclear shell model. We obtain those energies at the desired accuracy by extrapolation after diagonalizing small-dimensional submatrices of the sorted Hamiltonian matrix.

  1. 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.

  2. 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

  3. 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.

  4. 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.

  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. 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.

  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. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. Polyphosphates form antigenic complexes with platelet factor 4 (PF4) and enhance PF4-binding to bacteria.

    PubMed

    Brandt, Sven; Krauel, Krystin; Jaax, Miriam; Renné, Thomas; Helm, Christiane A; Hammerschmidt, Sven; Delcea, Mihaela; Greinacher, Andreas

    2015-11-25

    Short chain polyphosphates (polyP) are pro-coagulant and pro-inflammatory platelet released inorganic polymers. The platelet chemokine platelet factor 4 (PF4) binds to lipid A on bacteria, inducing an antibody mediated host defense mechanism, which can be misdirected against PF4/heparin complexes leading to the adverse drug reaction heparin-induced thrombocytopenia (HIT). Here, we demonstrate that PF4 complex formation with soluble short chain polyP contributes to host defense mechanisms. Circular dichroism spectroscopy and isothermal titration calorimetry revealed that PF4 changed its structure upon binding to polyP in a similar way as seen in PF4/heparin complexes. Consequently, PF4/polyP complexes exposed neoepitopes to which human anti-PF4/heparin antibodies bound. PolyP enhanced binding of PF4 to Escherichia coli, hereby facilitating bacterial opsonisation and, in the presence of human anti-PF4/polyanion antibodies, phagocytosis. Our study indicates a role of polyP in enhancing PF4-mediated defense mechanisms of innate immunity.

  14. LANL* V2.0: A New Radiation Belt Drift Shell Model for Real-Time and Reanalysis Applications

    NASA Astrophysics Data System (ADS)

    Koller, J.; Reeves, G. D.; Friedel, R. H.

    2009-12-01

    More and more radiation belt models are being combined with data using data assimilation methods. One important step towards this goal is to convert radiation belt data into phase space densities and adiabatic coordinates. This step of converting fluxes into phase space densities requires accurate calculations of particle drift shells or magnetic drift invariants L*. In a dynamic and realistic field, calculating L* as one of the adiabatic coordinates needs sophisticated magnetic field models that, in turn, require computationally intensive numerical integration. Typically a single L* drift shell integration can take on the order of 10^5 calls to a magnetic field model. In addition, the drift shell has to be recalculated every few minutes because either the spacecraft moved along its orbit or the magnetic field environment changed. This has turned into a computational bottleneck for many radiation belt models. We have developed a new method for calculation L* orders of magnitudes faster than direct numerical integration methods. Our method is based on a neural network that can replace the computationally intensive L* calculation with the Tsyganenko & Sitnov 2005 model. This new surrogate model has applications to real-time radiation belt forecasting, analysis of data sets spanning decades of observations, and other space weather applications.

  15. 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

  16. Numerical modelling of the stability of loaded shells of revolution containing fluid flows

    NASA Astrophysics Data System (ADS)

    Bochkarev, S. A.; Matveenko, V. P.

    2008-03-01

    A mixed finite-element algorithm is proposed to study the dynamic behavior of loaded shells of revolution containing a stationary or moving compressible fluid. The behavior of the fluid is described by potential theory, whose equations are reduced to integral form using the Galerkin method. The dynamics of the shell is analyzed with the use of the variational principle of possible displacements, which includes the linearized Bernoulli equation for calculating the hydrodynamic pressure exerted on the shell by the fluid. The solution of the problem reduces to the calculation and analysis of the eigenvalues of the coupled system of equations. As an example, the effect of hydrostatic pressure on the dynamic behavior of shells of revolution containing a moving fluid is studied under various boundary conditions.

  17. Current Sharing Temperature Test and Simulation with GANDALF Code for ITER PF2 Conductor Sample

    NASA Astrophysics Data System (ADS)

    Li, Shaolei; Wu, Yu; Liu, Bo; Weng, Peide

    2011-10-01

    Cable-in-conduit conductor (CICC) conductor sample of the PF2 coil for ITER was tested in the SULTAN facility. According to the test results, the CICC conductor sample exhibited a stable performance regarding the current sharing temperature. Under the typical operational conditions of a current of 45 kA, a magnetic field of 4 T and a temperature of 5 K for PF2, the test result for the conductor current sharing temperature is 6.71 K, with a temperature margin of 1.71 K. For a comparison thermal-hydraulic analysis of the PF2 conductor was carried out using GANDALF code in a 1-D model, and the result is consistent with the test one.

  18. 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.

  19. Role of the tensor interaction in He isotopes with a tensor-optimized shell model

    SciTech Connect

    Myo, Takayuki; Umeya, Atsushi; Toki, Hiroshi; Ikeda, Kiyomi

    2011-09-15

    We studied the role of the tensor interaction in He isotopes systematically on the basis of the tensor-optimized shell model (TOSM). We use a bare nucleon-nucleon interaction AV8{sup '} obtained from nucleon-nucleon scattering data. The short-range correlation is treated in the unitary correlation operator method (UCOM). Using the TOSM + UCOM approach, we investigate the role of tensor interaction on each spectrum in He isotopes. It is found that the tensor interaction enhances the LS splitting energy observed in {sup 5}He, in which the p{sub 1/2} and p{sub 3/2} orbits play different roles on the tensor correlation. In {sup 6,7,8}He, the low-lying states containing extra neutrons in the p{sub 3/2} orbit gain the tensor contribution. On the other hand, the excited states containing extra neutrons in the p{sub 1/2} orbit lose the tensor contribution due to the Pauli-blocking effect with the 2p2h states in the {sup 4}He core configuration.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. One- and two-dimensional modeling of argon K-shell emission from gas-puff Z-pinch plasmas

    NASA Astrophysics Data System (ADS)

    Thornhill, J. W.; Chong, Y. K.; Apruzese, J. P.; Davis, J.; Clark, R. W.; Giuliani, J. L.; Terry, R. E.; Velikovich, A. L.; Commisso, R. J.; Whitney, K. G.; Frese, M. H.; Frese, S. D.; Levine, J. S.; Qi, N.; Sze, H.; Failor, B. H.; Banister, J. W.; Coleman, P. L.; Coverdale, C. A.; Jones, B.; Deeney, C.

    2007-06-01

    In this paper, a theoretical model is described and demonstrated that serves as a useful tool for understanding K-shell radiating Z-pinch plasma behavior. Such understanding requires a self-consistent solution to the complete nonlocal thermodynamic equilibrium kinetics and radiation transport in order to realistically model opacity effects and the high-temperature state of the plasma. For this purpose, we have incorporated into the MACH2 two-dimensional magnetohydrodynamic (MHD) code [R. E. Peterkin et al., J. Comput. Phys. 140, 148 (1998)] an equation of state, called the tabular collisional radiative equilibrium (TCRE) model [J. W. Thornhill et al., Phys. Plasmas 8, 3480 (2001)], that provides reasonable approximations to the plasma's opacity state. MACH2 with TCRE is applied toward analyzing the multidimensional implosion behavior that occurred in Decade Quad (DQ) [D. Price et al., Proceedings of the 12th IEEE Pulsed Power Conference, Monterey, CA, edited by C. Stallings and H. Kirbie (IEEE, New York, 1999), p. 489] argon gas puff experiments that employed a 12cm diameter nozzle with and without a central gas jet on axis. Typical peak drive currents and implosion times in these experiments were ˜6MA and ˜230ns. By using Planar Laser Induced Fluorescence measured initial density profiles as input to the calculations, the effect these profiles have on the ability of the pinch to efficiently produce K-shell emission can be analyzed with this combined radiation-MHD model. The calculated results are in agreement with the experimental result that the DQ central-jet configuration is superior to the no-central-jet experiment in terms of producing more K-shell emission. These theoretical results support the contention that the improved operation of the central-jet nozzle is due to the better suppression of instabilities and the higher-density K-shell radiating conditions that the central-jet configuration promotes. When we applied the model toward projecting argon K-shell

  8. Determination of the plasma parameters in the PF-3 facility by the methods of X-ray spectroscopy

    SciTech Connect

    Baronova, E. O.; Vinogradov, V. P.; Krauz, V. I.; Myalton, V. V.; Stepanenko, A. M.; Stepanenko, M. M.

    2011-11-15

    NeIX and NeX spectra emitted by the PF-3 high-current (2 MA) plasma focus facility are measured. A numerical model describing the spectral intensities of the emission of helium- and hydrogen-like neon ions from an optically thick plasma is proposed. The electron temperature T{sub e} and electron density n{sub e} in the plasma of the PF-3 facility are determined by comparing the calculated and measured emission spectra of neon.

  9. Imperfection Insensitive Thin Shells

    NASA Astrophysics Data System (ADS)

    Ning, Xin

    with superior mass efficiency. An efficient computational method for the buckling analysis of corrugated and stiffened cylindrical shells subject to axial compression has been developed in this thesis. This method modifies the traditional Bloch wave method based on the stiffness matrix method of rotationally periodic structures. A highly efficient algorithm has been developed to implement the modified Bloch wave method. This method is applied in buckling analyses of a series of corrugated composite cylindrical shells and a large-scale orthogonally stiffened aluminum cylindrical shell. Numerical examples show that the modified Bloch wave method can achieve very high accuracy and require much less computational time than linear and nonlinear analyses of detailed full finite element models. This thesis presents parametric studies on a series of externally pressurized pseudo-spherical shells, i.e., polyhedral shells, including icosahedron, geodesic shells, and triambic icosahedra. Several optimization methods have been developed to further improve the performance of pseudo-spherical shells under external pressure. It has been shown that the buckling pressures of the shell designs obtained from the optimizations are much higher than the spherical shells and not sensitive to imperfections.

  10. From Natural History to the Nuclear Shell Model: Chemical Thinking in the Work of Mayer, Haxel, Jensen, and Suess

    NASA Astrophysics Data System (ADS)

    Johnson, Karen E.

    2004-09-01

    In 1949 the nuclear shell model was discovered simultaneously in the United States and Germany. Both discoveries were the result of a nuclear scientist looking at geochemical and nuclear data with the eyes of a chemist. Maria Goeppert Mayer in the United States and Hans Suess in Germany both brought a chemist’s perspective to the problem; the theoretical solution was subsequently supplied independently by Mayer and Hans Jensen.

  11. 2D Radiation MHD K-shell Modeling of Single Wire Array Stainless Steel Experiments on the Z Machine

    SciTech Connect

    Thornhill, J. W.; Giuliani, J. L.; Apruzese, J. P.; Chong, Y. K.; Davis, J.; Dasgupta, A.; Whitney, K. G.; Clark, R. W.; Jones, B.; Coverdale, C. A.; Ampleford, D. J.; Cuneo, M. E.; Deeney, C.

    2009-01-21

    Many physical effects can produce unstable plasma behavior that affect K-shell emission from arrays. Such effects include: asymmetry in the initial density profile, asymmetry in power flow, thermal conduction at the boundaries, and non-uniform wire ablation. Here we consider how asymmetry in the radiation field also contributes to the generation of multidimensional plasma behavior that affects K-shell power and yield. To model this radiation asymmetry, we have incorporated into the MACH2 r-z MHD code a self-consistent calculation of the non-LTE population kinetics based on radiation transport using multi-dimensional ray tracing. Such methodology is necessary for modeling the enhanced radiative cooling that occurs at the anode and cathode ends of the pinch during the run-in phase of the implosion. This enhanced radiative cooling is due to reduced optical depth at these locations producing an asymmetric flow of radiative energy that leads to substantial disruption of large initial diameter (>5 cm) pinches and drives 1D into 2D fluid (i.e., Rayleigh-Taylor like) flows. The impact of this 2D behavior on K-shell power and yield is investigated by comparing 1D and 2D model results with data obtained from a series of single wire array stainless steel experiments performed on the Z generator.

  12. TRAC-PF1/MOD1 post-test calculations of the OECD LOFT Experiment LP-SB-3

    SciTech Connect

    Allen, E J; Neill, A P

    1990-04-01

    Analysis of the small, cold leg break, OECD LOFT Experiment LP-SB-3 using the best-estimate computer code TRAC-PF1/MOD1 is presented. Descriptions of the LOFT facility and the LP-SB-3 experiment are given and development of the TRAC-PF1/MOD1 input model is detailed. The calculations performed in achieving the steady state conditions, from which the experiment was initiated, and the specification of experimental boundary conditions are outlined. Results of the TRAC-PF1/MOD1 calculation are found to be generally consistent with those reported, by members of the OECD LOFT Program Review Group, in the LP-SB-3 Comparison Report.'' Overall trends with respect to pressure histories, minimum primary system mass inventory and accumulator behaviour are reasonably well reproduced by TRAC-PF1/MOD1. 17 refs., 26 figs., 3 tabs.

  13. Extrapolation uncertainties in the importance-truncated no-core shell model

    NASA Astrophysics Data System (ADS)

    Kruse, M. K. G.; Jurgenson, E. D.; Navrátil, P.; Barrett, B. R.; Ormand, W. E.

    2013-04-01

    Background: The importance-truncated no-core shell model (IT-NCSM) has recently been shown to extend theoretical nuclear structure calculations of p-shell nuclei to larger model (Nmax) spaces. The importance truncation procedure selects only relatively few of the many basis states present in a “large” Nmax basis space, thus making the calculation tractable and reasonably quick to perform. Initial results indicate that the procedure agrees well with the NCSM, in which a complete basis is constructed for a given Nmax.Purpose: An analysis of uncertainties in IT-NCSM such as those generated from the extrapolations to the complete Nmax space have not been fully discussed. We present a method for estimating the uncertainty when extrapolating to the complete Nmax space and demonstrate the method by comparing extrapolated IT-NCSM to full NCSM calculations up to Nmax=14. Furthermore, we study the result of extrapolating IT-NCSM ground-state energies to Nmax=∞ and compare the results to similarly extrapolated NCSM calculations. A procedure is formulated to assign uncertainties for Nmax=∞ extrapolations.Method: We report on 6Li calculations performed with the IT-NCSM and compare them to full NCSM calculations. We employ the Entem and Machleidt chiral two-body next-to-next-to-next leading order (N3LO) interaction (regulated at 500 MeV/c), which has been modified to a phase-shift equivalent potential by the similarity renormalization group (SRG) procedure. We investigate the dependence of the procedure on the technique employed to extrapolate to the complete Nmax space, the harmonic oscillator energy (ℏΩ), and investigate the dependence on the momentum-decoupling scale (λ) used in the SRG. We also investigate the use of one or several reference states from which the truncated basis is constructed.Results: We find that the uncertainties generated from various extrapolating functions used to extrapolate to the complete Nmax space increase as Nmax increases. The

  14. LOW MACH NUMBER MODELING OF CONVECTION IN HELIUM SHELLS ON SUB-CHANDRASEKHAR WHITE DWARFS. I. METHODOLOGY

    SciTech Connect

    Zingale, M.; Orvedahl, R. J.; Nonaka, A.; Almgren, A. S.; Bell, J. B.; Malone, C. M.

    2013-02-10

    We assess the robustness of a low Mach number hydrodynamics algorithm for modeling helium shell convection on the surface of a white dwarf in the context of the sub-Chandrasekhar model for Type Ia supernovae. We use the low Mach number stellar hydrodynamics code, MAESTRO, to perform three-dimensional, spatially adaptive simulations of convection leading up to the point of the ignition of a burning front. We show that the low Mach number hydrodynamics model provides a robust description of the system.

  15. TPX: Contractor preliminary design review. Volume 2, PF systems engineering

    SciTech Connect

    Calvin, H.A.

    1995-07-28

    This system development specification covers the Poloidal Field (PF) Magnet System, WBS 14 in the Princeton Plasma Physics Laboratory TPX Program to build a tokamak fusion reactor. This specification establishes the performance, design, development and test requirements of the PF Magnet System.

  16. Turbulent convection in rapidly rotating spherical shells: A model for equatorial and high latitude jets on Jupiter and Saturn

    NASA Astrophysics Data System (ADS)

    Heimpel, Moritz; Aurnou, Jonathan

    2007-04-01

    The origin of zonal jets on the jovian planets has long been a topic of scientific debate. In this paper we show that deep convection in a spherical shell can generate zonal flow comparable to that observed on Jupiter and Saturn, including a broad prograde equatorial jet and multiple alternating jets at higher latitudes. We present fully turbulent, 3D spherical numerical simulations of rapidly rotating convection with different spherical shell geometries. The resulting global flow fields tend to be segregated into three regions (north, equatorial, and south), bounded by the tangent cylinder that circumscribes the inner boundary equator. In all of our simulations a strong prograde equatorial jet forms outside the tangent cylinder, whereas multiple jets form in the northern and southern hemispheres, inside the tangent cylinder. The jet scaling of our numerical models and of Jupiter and Saturn is consistent with the theory of geostrophic turbulence, which we extend to include the effect of spherical shell geometry. Zonal flow in a spherical shell is distinguished from that in a full sphere or a shallow layer by the effect of the tangent cylinder, which marks a reversal in the sign of the planetary β-parameter and a jump in the Rhines length. This jump is manifest in the numerical simulations as a sharp equatorward increase in jet widths—a transition that is also observed on Jupiter and Saturn. The location of this transition gives an estimate of the depth of zonal flow, which seems to be consistent with current models of the jovian and saturnian interiors.

  17. A shell-neutral modeling approach yields sustainable oyster harvest estimates: a retrospective analysis of the Louisiana state primary seed grounds

    USGS Publications Warehouse

    Soniat, Thomas M.; Klinck, John M.; Powell, Eric N.; Cooper, Nathan; Abdelguerfi, Mahdi; Hofmann, Eileen E.; Dahal, Janak; Tu, Shengru; Finigan, John; Eberline, Benjamin S.; La Peyre, Jerome F.; LaPeyre, Megan K.; Qaddoura, Fareed

    2012-01-01

    A numerical model is presented that defines a sustainability criterion as no net loss of shell, and calculates a sustainable harvest of seed (<75 mm) and sack or market oysters (≥75 mm). Stock assessments of the Primary State Seed Grounds conducted east of the Mississippi from 2009 to 2011 show a general trend toward decreasing abundance of sack and seed oysters. Retrospective simulations provide estimates of annual sustainable harvests. Comparisons of simulated sustainable harvests with actual harvests show a trend toward unsustainable harvests toward the end of the time series. Stock assessments combined with shell-neutral models can be used to estimate sustainable harvest and manage cultch through shell planting when actual harvest exceeds sustainable harvest. For exclusive restoration efforts (no fishing allowed), the model provides a metric for restoration success-namely, shell accretion. Oyster fisheries that remove shell versus reef restorations that promote shell accretion, although divergent in their goals, are convergent in their management; both require vigilant attention to shell budgets.

  18. Applying a Qualitative Modeling Shell to Process Diagnosis: The Caster System. ONR Technical Report #16.

    ERIC Educational Resources Information Center

    Thompson, Timothy F.; Clancey, William J.

    This report describes the application of a shell expert system from the medical diagnostic system, Neomycin, to Caster, a diagnostic system for malfunctions in industrial sandcasting. This system was developed to test the hypothesis that starting with a well-developed classification procedure and a relational language for stating the…

  19. PREFACE: 11th International Spring Seminar on Nuclear Physics: Shell Model and Nuclear Structure - achievements of the past two decades

    NASA Astrophysics Data System (ADS)

    2015-02-01

    The 11th International Seminar on Nuclear Physics was held in Ischia from May 12 to May 16, 2014. This Seminar was dedicated to Aldo Covello, who has been the promoter of this series of meetings, which started in Sorrento in 1986 and continued with meetings held every two or three years in the Naples area. Aldo's idea was to offer to a group of researchers, actively working in selected fields of Nuclear Physics, the opportunity to confront their points of view in a lively and informal way. The choice for the period of the year, Spring, as well as the sites chosen reflected this intent. The first meeting was of a purely theoretical nature, but it was immediately clear that the scope of these conferences needed to be enlarged calling into play the experimental community. Then, starting from the second meeting, all the following ones have been characterized by fruitful discussion between theoretical and experimental researchers on current achievements and future developments of nuclear structure. This may be read, in fact, as one of the motivating factors for Aldo's election as Fellow of the American Physical Society in 2008 "... for his outstanding contributions to the international nuclear physics community by providing, for over two decades, a venue for theorists and experimentalists to share their latest ideas." The present meeting, organized by Aldo's former students and with the benefit of his suggestions, has maintained this tradition. The title "Shell model and nuclear structure: achievements of the past two decades" recalls that of the 2nd International Spring Seminar "Shell Model and Nuclear Structure: where do we stand?". The main aim of this 11th Seminar was, in fact, to discuss the changes of the past two decades on our view of nuclei in terms of shell structure as well as the perspectives of the shell model, which has been one of the key points in Aldo's research. This point is well accounted by the Opening Speech of Igal Talmi, one of the fathers of the

  20. COMPUTATIONAL FLUID DYNAMICS MODELING OF SCALED HANFORD DOUBLE SHELL TANK MIXING - CFD MODELING SENSITIVITY STUDY RESULTS

    SciTech Connect

    JACKSON VL

    2011-08-31

    The primary purpose of the tank mixing and sampling demonstration program is to mitigate the technical risks associated with the ability of the Hanford tank farm delivery and celtification systems to measure and deliver a uniformly mixed high-level waste (HLW) feed to the Waste Treatment and Immobilization Plant (WTP) Uniform feed to the WTP is a requirement of 24590-WTP-ICD-MG-01-019, ICD-19 - Interface Control Document for Waste Feed, although the exact definition of uniform is evolving in this context. Computational Fluid Dynamics (CFD) modeling has been used to assist in evaluating scaleup issues, study operational parameters, and predict mixing performance at full-scale.

  1. Potentially functional SNPs (pfSNPs) as novel genomic predictors of 5-FU response in metastatic colorectal cancer patients.

    PubMed

    Wang, Jingbo; Wang, Xu; Zhao, Mingjue; Choo, Su Pin; Ong, Sin Jen; Ong, Simon Y K; Chong, Samuel S; Teo, Yik Ying; Lee, Caroline G L

    2014-01-01

    5-Fluorouracil (5-FU) and its pro-drug Capecitabine have been widely used in treating colorectal cancer. However, not all patients will respond to the drug, hence there is a need to develop reliable early predictive biomarkers for 5-FU response. Here, we report a novel potentially functional Single Nucleotide Polymorphism (pfSNP) approach to identify SNPs that may serve as predictive biomarkers of response to 5-FU in Chinese metastatic colorectal cancer (CRC) patients. 1547 pfSNPs and one variable number tandem repeat (VNTR) in 139 genes in 5-FU drug (both PK and PD pathway) and colorectal cancer disease pathways were examined in 2 groups of CRC patients. Shrinkage of liver metastasis measured by RECIST criteria was used as the clinical end point. Four non-responder-specific pfSNPs were found to account for 37.5% of all non-responders (P<0.0003). Five additional pfSNPs were identified from a multivariate model (AUC under ROC = 0.875) that was applied for all other pfSNPs, excluding the non-responder-specific pfSNPs. These pfSNPs, which can differentiate the other non-responders from responders, mainly reside in tumor suppressor genes or genes implicated in colorectal cancer risk. Hence, a total of 9 novel SNPs with potential functional significance may be able to distinguish non-responders from responders to 5-FU. These pfSNPs may be useful biomarkers for predicting response to 5-FU. PMID:25372392

  2. Shell-model study on event rates of lightest supersymmetric particles scattering off 83Kr and 125Te

    NASA Astrophysics Data System (ADS)

    Pirinen, P.; Srivastava, P. C.; Suhonen, J.; Kortelainen, M.

    2016-05-01

    We investigate the elastic and inelastic scattering of lightest supersymmetric particle (LSP) dark matter off two possible target nuclei, 83Kr and 125Te. For the nuclear-structure calculations, we employ the nuclear shell model using recently generated realistic interactions. We have condensed the nuclear-physics contribution to a set of nuclear-structure factors that are independent of the adopted supersymmetric (SUSY) model. Total event rates are then easily calculated by combining the nuclear-structure factors with SUSY parameters of choice. In particular, 125Te shows promise as a detector material with both the elastic and inelastic channels yielding an appreciable nuclear response.

  3. LANL* V1.0: a radiation belt drift shell model suitable for real-time and reanalysis applications

    SciTech Connect

    Koller, Josep; Reeves, Geoffrey D; Friedel, Reiner H W

    2008-01-01

    Space weather modeling, forecasts, and predictions, especially for the radiation belts in the inner magnetosphere, require detailed information about the Earth's magnetic field. Results depend on the magnetic field model and the L* (pron. L-star) values which are used to describe particle drift shells. Space wather models require integrating particle motions along trajectories that encircle the Earth. Numerical integration typically takes on the order of 10{sup 5} calls to a magnetic field model which makes the L* calculations very slow, in particular when using a dynamic and more accurate magnetic field model. Researchers currently tend to pick simplistic models over more accurate ones but also risking large inaccuracies and even wrong conclusions. For example, magnetic field models affect the calculation of electron phase space density by applying adiabatic invariants including the drift shell value L*. We present here a new method using a surrogate model based on a neural network technique to replace the time consuming L* calculations made with modern magnetic field models. The advantage of surrogate models (or meta-models) is that they can compute the same output in a fraction of the time while adding only a marginal error. Our drift shell model LANL* (Los Alamos National Lab L-star) is based on L* calculation using the TSK03 model. The surrogate model has currently been tested and validated only for geosynchronous regions but the method is generally applicable to any satellite orbit. Computations with the new model are several million times faster compared to the standard integration method while adding less than 1% error. Currently, real-time applications for forecasting and even nowcasting inner magnetospheric space weather is limited partly due to the long computing time of accurate L* values. Without them, real-time applications are limited in accuracy. Reanalysis application of past conditions in the inner magnetosphere are used to understand physical

  4. An allosteric model for control of pore opening by substrate binding in the EutL microcompartment shell protein

    PubMed Central

    Thompson, Michael C; Cascio, Duilio; Leibly, David J; Yeates, Todd O

    2015-01-01

    The ethanolamine utilization (Eut) microcompartment is a protein-based metabolic organelle that is strongly associated with pathogenesis in bacteria that inhabit the human gut. The exterior shell of this elaborate protein complex is composed from a few thousand copies of BMC-domain shell proteins, which form a semi-permeable diffusion barrier that provides the interior enzymes with substrates and cofactors while simultaneously retaining metabolic intermediates. The ability of this protein shell to regulate passage of substrate and cofactor molecules is critical for microcompartment function, but the details of how this diffusion barrier can allow the passage of large cofactors while still retaining small intermediates remain unclear. Previous work has revealed two conformations of the EutL shell protein, providing substantial evidence for a gated pore that might allow the passage of large cofactors. Here we report structural and biophysical evidence to show that ethanolamine, the substrate of the Eut microcompartment, acts as a negative allosteric regulator of EutL pore opening. Specifically, a series of X-ray crystal structures of EutL from Clostridium perfringens, along with equilibrium binding studies, reveal that ethanolamine binds to EutL at a site that exists in the closed-pore conformation and which is incompatible with opening of the large pore for cofactor transport. The allosteric mechanism we propose is consistent with the cofactor requirements of the Eut microcompartment, leading to a new model for EutL function. Furthermore, our results suggest the possibility of redox modulation of the allosteric mechanism, opening potentially new lines of investigation. PMID:25752492

  5. Docking, QM/MM, and molecular dynamics simulations of the hexose transporter from Plasmodium falciparum (PfHT).

    PubMed

    Fonseca, Amanda Luisa da; Nunes, Renata Rachide; Braga, Vanildo Martins Lima; Comar, Moacyr; Alves, Ricardo José; Varotti, Fernando de Pilla; Taranto, Alex Gutterres

    2016-05-01

    Malaria is the most prevalent parasitic disease in the world. Currently, an effective vaccine for malaria does not exist, and chemotherapy must be used to treat the disease. Because of increasing resistance to current antimalarial drugs, new treatments must be developed. Among the many potential molecular targets, the hexose transporter of Plasmodium falciparum (PfHT) is particularly promising because it plays a vital role in glucose transport for the parasite. Thus, this study aims to determine the three-dimensional structure of PfHT and to describe the intermolecular interactions between active glycoside derivatives and PfHT. Such information should aid in the development of new antimalarial drugs. The receptor PfHT was constructed from primary sequences deposited in the SWISS MODEL database. Next, molecular docking simulations between O-(undec-10-en)-l-D-glucose and the constructed active site models were performed using Autodock Vina. The glycoside derivative-PfHT complexes were then refined using the hybrid QM/MM (PM3/ff03) method within the AMBER package. The models were then evaluated using Ramachandran plots, which indicated that 93.2% of the residues in the refined PfHT models (P5) were present in favorable regions. Furthermore, graphical plots using ANOLEA showed that the potential energies of interaction for atoms unbonded to P5 were negative. Finally, the O-(undec-10-en)-l-D-glucose-PfHT complex was evaluated using 20-ns Molecular Dynamics simulations with an ff03 force field. Docking and QM/MM studies revealed the amino acids essential for molecular recognition of and activity on glycosides. Inhibition of glucose transporters may prevent the development and metabolism of P. falciparum, so a description of the receptor's structure is a critical step towards rational drug design. PMID:27131282

  6. Comparative study between two animal models of extrapyramidal movement disorders: prevention and reversion by pecan nut shell aqueous extract.

    PubMed

    Trevizol, Fabiola; Benvegnú, Dalila M; Barcelos, Raquel C S; Pase, Camila S; Segat, Hecson J; Dias, Verônica Tironi; Dolci, Geisa S; Boufleur, Nardeli; Reckziegel, Patrícia; Bürger, Marilise E

    2011-08-01

    Acute reserpine and subchronic haloperidol are animal models of extrapyramidal disorders often used to study parkinsonism, akinesia and tardive dyskinesia. In humans, these usually irreversible and disabling extrapyramidal disorders are developed by typical antipsychotic treatment, whose pathophysiology has been related to oxidative damages development. So far, there is no treatment to prevent these problems of the psychiatric clinic, and therefore further studies are needed. Here we used the animal models of extrapyramidal disorders cited above, which were performed in two distinct experiments: orofacial dyskinesia (OD)/catalepsy induced by acute reserpine and subchronic haloperidol after (experiment 1) and before (experiment 2) oral treatment with pecan shell aqueous extract (AE), a natural and promissory antioxidant. When administered previously (exp.1), the AE prevented OD and catalepsy induced by both reserpine and haloperidol. When reserpine and haloperidol were administered before the extract (exp.2), the animals developed OD and catalepsy all the same. However, the orofacial parameter (but not catalepsy) in both animal models was reversed after 7 and 14 days of AE treatment. These results indicate that, acute reserpine and subchronic haloperidol administrations induced similar motor disorders, although through different mechanisms, and therefore are important animal models to study the physiopathology of extrapyramidal disorders. Comparatively, the pecan shell AE was able to both prevent and reverse OD but only to prevent catalepsy. These results reinforce the role of oxidative stress and validate the two animal models used here. Our findings also favor the idea of prevention of extrapyramidal disorders, rather than their reversal. PMID:21356248

  7. Engineering bacterial microcompartment shells: chimeric shell proteins and chimeric carboxysome shells.

    PubMed

    Cai, Fei; Sutter, Markus; Bernstein, Susan L; Kinney, James N; Kerfeld, Cheryl A

    2015-04-17

    Bacterial microcompartments (BMCs) are self-assembling organelles composed entirely of protein. Depending on the enzymes they encapsulate, BMCs function in either inorganic carbon fixation (carboxysomes) or organic carbon utilization (metabolosomes). The hallmark feature of all BMCs is a selectively permeable shell formed by multiple paralogous proteins, each proposed to confer specific flux characteristics. Gene clusters encoding diverse BMCs are distributed broadly across bacterial phyla, providing a rich variety of building blocks with a predicted range of permeability properties. In theory, shell permeability can be engineered by modifying residues flanking the pores (symmetry axes) of hexameric shell proteins or by combining shell proteins from different types of BMCs into chimeric shells. We undertook both approaches to altering shell properties using the carboxysome as a model system. There are two types of carboxysomes, α and β. In both, the predominant shell protein(s) contain a single copy of the BMC domain (pfam00936), but they are significantly different in primary structure. Indeed, phylogenetic analysis shows that the two types of carboxysome shell proteins are more similar to their counterparts in metabolosomes than to each other. We solved high resolution crystal structures of the major shell proteins, CsoS1 and CcmK2, and the presumed minor shell protein CcmK4, representing both types of cyanobacterial carboxysomes and then tested the interchangeability. The in vivo study presented here confirms that both engineering pores to mimic those of other shell proteins and the construction of chimeric shells is feasible.

  8. Unsteady interaction of a viscous fluid with an elastic shell modeled by full von Karman equations

    NASA Astrophysics Data System (ADS)

    Chueshov, Igor; Ryzhkova, Iryna

    We study well-posedness and asymptotic dynamics of a coupled system consisting of linearized 3D Navier-Stokes equations in a bounded domain and a classical (nonlinear) full von Karman shallow shell equation that accounts for both transversal and lateral displacements on a flexible part of the boundary. We also take into account rotational inertia of filaments of the shell. Our main result shows that the problem generates a semiflow in an appropriate phase space. The regularity provided by viscous dissipation in the fluid allows us to consider simultaneously both cases of presence inertia in the lateral displacements and its absence. Our second result states the existence of a compact global attractor for this semiflow in the case of presence of (rotational) damping in the transversal component and a particular structure of external forces.

  9. Thermal stability of LiPF 6 salt and Li-ion battery electrolytes containing LiPF 6

    NASA Astrophysics Data System (ADS)

    Yang, Hui; Zhuang, Guorong V.; Ross, Philip N.

    The thermal stability of the neat lithium hexafluorophosphate (LiPF 6) salt and of 1 molal (m) solutions of LiPF 6 in prototypical Li-ion battery solvents was studied with thermogravimetric analysis (TGA) and on-line Fourier transform infrared (FTIR). Pure LiPF 6 salt is thermally stable up to 107 °C in a dry inert atmosphere, and its decomposition path is a simple dissociation producing lithium fluoride (LiF) as solid and PF 5 as gaseous products. In the presence of water (300 ppm) in the carrier gas, its decomposition onset temperature is lowered as a result of direct thermal reaction between LiPF 6 and water vapor to form phosphorous oxyfluoride (POF 3) and hydrofluoric acid (HF). No new products were observed in 1 m solutions of LiPF 6 in ethylene carbonate (EC), dimethyl carbonate (DMC) and ethyl methyl carbonate (EMC) by on-line TGA-FTIR analysis. The storage of the same solutions in sealed containers at 85 °C for 300-420 h did not produce any significant quantity of new products as well. In particular, no alkylflurophosphates were found in the solutions after storage at elevated temperature. In the absence of either an impurity like alcohol or cathode active material that may (or may not) act as a catalyst, there is no evidence of thermally induced reaction between LiPF 6 and the prototypical Li-ion battery solvents EC, PC, DMC or EMC.

  10. Electron attachment to Ni(PF{sub 3}){sub 4} and Pt(PF{sub 3}){sub 4}

    SciTech Connect

    Friedman, Jeffrey F.; Miller, Thomas M.; Friedman-Schaffer, Jessica K.; Rekha, G. K.; Stevens, Amy E.; Viggiano, A. A

    2008-03-14

    An experimental study has been made of thermal electron attachment to the transition-metal trifluorophosphine complexes Ni(PF{sub 3}){sub 4} and Pt(PF{sub 3}){sub 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{sub 3}){sub 4} is 1.9x10{sup -7} cm{sup 3} s{sup -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{sub 3}){sub 4} is 5.4x10{sup -8} cm{sup 3} s{sup -1} at room temperature, and the activation energy is 84{+-}8 meV. For both complexes, a PF{sub 3} ligand is lost on electron attachment, and only the M(PF{sub 3}){sub 3}{sup -} ion is observed in the negative-ion mass spectrum. Density functional calculations were carried out on Ni(PF{sub 3}){sub 4} and various fragments in order to describe the thermochemistry of the attachment reaction.

  11. MVC Shell

    2008-06-03

    Provides the shell of a plugin based application environment that builds on MVC Framework to allow one to rapidly construct an application by using a collection of plugins. The MVC Shell is implemented in C# as a .NET 2.0 application that can then be used as a shell for building a plugin based application. The infrastructure allows for dynamically processing a specified collection of plugins in order to determine the functionality of the application, wheremore » all plugins operate within the context of the underlying MVC Framework environment.« less

  12. The Hepatoselective Glucokinase Activator PF-04991532 Ameliorates Hyperglycemia without Causing Hepatic Steatosis in Diabetic Rats

    PubMed Central

    Erion, Derek M.; Lapworth, Amanda; Amor, Paul A.; Bai, Guoyun; Vera, Nicholas B.; Clark, Ronald W.; Yan, Qingyun; Zhu, Yimin; Ross, Trenton T.; Purkal, Julie; Gorgoglione, Matthew; Zhang, Guodong; Bonato, Vinicius; Baker, Levenia; Barucci, Nicole; D’Aquila, Theresa; Robertson, Alan; Aiello, Robert J.; Yan, Jiangli; Trimmer, Jeff; Rolph, Timothy P.; Pfefferkorn, Jeffrey A.

    2014-01-01

    Hyperglycemia resulting from type 2 diabetes mellitus (T2DM) is the main cause of diabetic complications such as retinopathy and neuropathy. A reduction in hyperglycemia has been shown to prevent these associated complications supporting the importance of glucose control. Glucokinase converts glucose to glucose-6-phosphate and determines glucose flux into the β-cells and hepatocytes. Since activation of glucokinase in β-cells is associated with increased risk of hypoglycemia, we hypothesized that selectively activating hepatic glucokinase would reduce fasting and postprandial glucose with minimal risk of hypoglycemia. Previous studies have shown that hepatic glucokinase overexpression is able to restore glucose homeostasis in diabetic models; however, these overexpression experiments have also revealed that excessive increases in hepatic glucokinase activity may also cause hepatosteatosis. Herein we sought to evaluate whether liver specific pharmacological activation of hepatic glucokinase is an effective strategy to reduce hyperglycemia without causing adverse hepatic lipids changes. To test this hypothesis, we evaluated a hepatoselective glucokinase activator, PF-04991532, in Goto-Kakizaki rats. In these studies, PF-04991532 reduced plasma glucose concentrations independent of changes in insulin concentrations in a dose-dependent manner both acutely and after 28 days of sub-chronic treatment. During a hyperglycemic clamp in Goto-Kakizaki rats, the glucose infusion rate was increased approximately 5-fold with PF-04991532. This increase in glucose infusion can be partially attributed to the 60% reduction in endogenous glucose production. While PF-04991532 induced dose-dependent increases in plasma triglyceride concentrations it had no effect on hepatic triglyceride concentrations in Goto-Kakizaki rats. Interestingly, PF-04991532 decreased intracellular AMP concentrations and increased hepatic futile cycling. These data suggest that hepatoselective glucokinase

  13. The hepatoselective glucokinase activator PF-04991532 ameliorates hyperglycemia without causing hepatic steatosis in diabetic rats.

    PubMed

    Erion, Derek M; Lapworth, Amanda; Amor, Paul A; Bai, Guoyun; Vera, Nicholas B; Clark, Ronald W; Yan, Qingyun; Zhu, Yimin; Ross, Trenton T; Purkal, Julie; Gorgoglione, Matthew; Zhang, Guodong; Bonato, Vinicius; Baker, Levenia; Barucci, Nicole; D'Aquila, Theresa; Robertson, Alan; Aiello, Robert J; Yan, Jiangli; Trimmer, Jeff; Rolph, Timothy P; Pfefferkorn, Jeffrey A

    2014-01-01

    Hyperglycemia resulting from type 2 diabetes mellitus (T2DM) is the main cause of diabetic complications such as retinopathy and neuropathy. A reduction in hyperglycemia has been shown to prevent these associated complications supporting the importance of glucose control. Glucokinase converts glucose to glucose-6-phosphate and determines glucose flux into the β-cells and hepatocytes. Since activation of glucokinase in β-cells is associated with increased risk of hypoglycemia, we hypothesized that selectively activating hepatic glucokinase would reduce fasting and postprandial glucose with minimal risk of hypoglycemia. Previous studies have shown that hepatic glucokinase overexpression is able to restore glucose homeostasis in diabetic models; however, these overexpression experiments have also revealed that excessive increases in hepatic glucokinase activity may also cause hepatosteatosis. Herein we sought to evaluate whether liver specific pharmacological activation of hepatic glucokinase is an effective strategy to reduce hyperglycemia without causing adverse hepatic lipids changes. To test this hypothesis, we evaluated a hepatoselective glucokinase activator, PF-04991532, in Goto-Kakizaki rats. In these studies, PF-04991532 reduced plasma glucose concentrations independent of changes in insulin concentrations in a dose-dependent manner both acutely and after 28 days of sub-chronic treatment. During a hyperglycemic clamp in Goto-Kakizaki rats, the glucose infusion rate was increased approximately 5-fold with PF-04991532. This increase in glucose infusion can be partially attributed to the 60% reduction in endogenous glucose production. While PF-04991532 induced dose-dependent increases in plasma triglyceride concentrations it had no effect on hepatic triglyceride concentrations in Goto-Kakizaki rats. Interestingly, PF-04991532 decreased intracellular AMP concentrations and increased hepatic futile cycling. These data suggest that hepatoselective glucokinase

  14. Analysis of Hydrogen Generation through Thermochemical Gasification of Coconut Shell Using Thermodynamic Equilibrium Model Considering Char and Tar.

    PubMed

    Rupesh, Shanmughom; Muraleedharan, Chandrasekharan; Arun, Palatel

    2014-01-01

    This work investigates the potential of coconut shell for air-steam gasification using thermodynamic equilibrium model. A thermodynamic equilibrium model considering tar and realistic char conversion was developed using MATLAB software to predict the product gas composition. After comparing it with experimental results the prediction capability of the model is enhanced by multiplying equilibrium constants with suitable coefficients. The modified model is used to study the effect of key process parameters like temperature, steam to biomass ratio, and equivalence ratio on product gas yield, composition, and heating value of syngas along with gasification efficiency. For a steam to biomass ratio of unity, the maximum mole fraction of hydrogen in the product gas is found to be 36.14% with a lower heating value of 7.49 MJ/Nm(3) at a gasification temperature of 1500 K and equivalence ratio of 0.15.

  15. Analysis of Hydrogen Generation through Thermochemical Gasification of Coconut Shell Using Thermodynamic Equilibrium Model Considering Char and Tar

    PubMed Central

    Rupesh, Shanmughom; Muraleedharan, Chandrasekharan; Arun, Palatel

    2014-01-01

    This work investigates the potential of coconut shell for air-steam gasification using thermodynamic equilibrium model. A thermodynamic equilibrium model considering tar and realistic char conversion was developed using MATLAB software to predict the product gas composition. After comparing it with experimental results the prediction capability of the model is enhanced by multiplying equilibrium constants with suitable coefficients. The modified model is used to study the effect of key process parameters like temperature, steam to biomass ratio, and equivalence ratio on product gas yield, composition, and heating value of syngas along with gasification efficiency. For a steam to biomass ratio of unity, the maximum mole fraction of hydrogen in the product gas is found to be 36.14% with a lower heating value of 7.49 MJ/Nm3 at a gasification temperature of 1500 K and equivalence ratio of 0.15. PMID:27433487

  16. Nuclear shell model calculations of neutralino-nucleus cross sections for [sup 29]Si and [sup 73]Ge

    SciTech Connect

    Ressell, M.T.; Aufderheide, M.B.; Bloom, S.D.; Griest, K.; Mathews, G.J.; Resler, D.A. Institute of Geophysics and Planetary Physics, Lawrence Livermore National Laboratory, Livermore, California 94550 Physics Department, University of California, San Diego, La Jolla, California 92093 N-Division/Physical Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550 )

    1993-12-15

    We present the results of detailed nuclear shell model calculations of the spin-dependent elastic cross section for neutralinos scattering from [sup 29]Si and [sup 73]Ge. The calculations were performed in large model spaces which adequately describe the configuration mixing in these two nuclei. As tests of the computed nuclear wave functions we have calculated several nuclear observables and compared them with the measured values and found good agreement. In the limit of zero momentum transfer we find scattering matrix elements in agreement with previous estimates for [sup 29]Si but significantly different than previous work for [sup 73]Ge. A modest quenching, in accord with shell model studies of other heavy nuclei, has been included to bring agreement between the measured and calculated values of the magnetic moment for [sup 73]Ge. Even with this quenching, the calculated scattering rate is roughly a factor of 2 higher than the best previous estimates; without quenching, the rate is a factor of 4 higher. This implies a higher sensitivity for germanium dark matter detectors. We also investigate the role of finite momentum transfer upon the scattering response for both nuclei and find that this can significantly change the expected rates. We close with a brief discussion of the effects of some of the non-nuclear uncertainties upon the matrix elements.

  17. Low Mach Number Modeling of Convection in Helium Shells on Sub-Chandrasekhar White Dwarfs. II. Bulk Properties of Simple Models

    NASA Astrophysics Data System (ADS)

    Jacobs, A. M.; Zingale, M.; Nonaka, A.; Almgren, A. S.; Bell, J. B.

    2016-08-01

    The dynamics of helium shell convection driven by nuclear burning establish the conditions for runaway in the sub-Chandrasekhar-mass, double-detonation model for SNe Ia, as well as for a variety of other explosive phenomena. We explore these convection dynamics for a range of white dwarf core and helium shell masses in three dimensions using the low Mach number hydrodynamics code MAESTRO. We present calculations of the bulk properties of this evolution, including time-series evolution of global diagnostics, lateral averages of the 3D state, and the global 3D state. We find a variety of outcomes, including quasi-equilibrium, localized runaway, and convective runaway. Our results suggest that the double-detonation progenitor model is promising and that 3D dynamic convection plays a key role.

  18. Mixed Models and Reduction Techniques for Large-Rotation, Nonlinear Analysis of Shells of Revolution with Application to Tires

    NASA Technical Reports Server (NTRS)

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

    1984-01-01

    An effective computational strategy is presented for the large-rotation, nonlinear axisymmetric analysis of shells of revolution. The three key elements of the computational strategy are: (1) use of mixed finite-element models with discontinuous stress resultants at the element interfaces; (2) substantial reduction in the total number of degrees of freedom through the use of a multiple-parameter reduction technique; and (3) reduction in the size of the analysis model through the decomposition of asymmetric loads into symmetric and antisymmetric components coupled with the use of the multiple-parameter reduction technique. The potential of the proposed computational strategy is discussed. Numerical results are presented to demonstrate the high accuracy of the mixed models developed and to show the potential of using the proposed computational strategy for the analysis of tires.

  19. Modified equilibrium-dispersive model for the interpretation of the efficiency of columns packed on core-shell particle

    SciTech Connect

    Gritti, Fabrice; Kaczmarski, Krzysztof; Guiochon, Georges A

    2011-01-01

    A modified Equilibrium Dispersive (ED) Model is proposed for the modeling of chromatographic processes in columns packed with shell-particle adsorbents and operated under very high pressures. This new model was validated on the basis of experimental results obtained with 2.1 mm x 150 mm columns packed with superficially porous 1.7 {micro}m Kinetex-C{sub 18} particles and with classical columns packed with 1.7 {micro}m BEH-C{sub 18} fully porous particles. The influence of the heat friction on the performance of these columns was analyzed by comparing the experimental and calculated peak profiles. Moreover a theoretical analysis of the influence the solid-core conductivity on the column efficiency was discussed.

  20. No-core Monte Carlo shell model calculations with unitary correlation operator method and similarity renormalization group

    NASA Astrophysics Data System (ADS)

    Liu, Lang

    2015-05-01

    The unitary correlation operator method (UCOM) and the similarity renormalization group theory (SRG) are compared and discussed in the framework of the no-core Monte Carlo shell model (MCSM) calculations for 3H and 4He. The treatment of spurious center-of-mass motion by Lawson's prescription is performed in the MCSM calculations. These results with both transformed interactions show good suppression of spurious center-of-mass motion with proper Lawson's prescription parameter βc.m. values. The UCOM potentials obtain faster convergence of total energy for the ground state than that of SRG potentials in the MCSM calculations, which differs from the cases in the no-core shell model calculations (NCSM). These differences are discussed and analyzed in terms of the truncation scheme in the MCSM and NCSM, as well as the properties of the potentials of SRG and UCOM. Supported by Fundamental Research Funds for the Central Universities (JUSRP1035), National Natural Science Foundation of China (11305077)

  1. A modified size-dependent core-shell model and its application in the wave propagation of square cellular networks

    NASA Astrophysics Data System (ADS)

    Xu, Xiao-Jian; Wang, Ya-Chuan; Wang, Bo; Zhang, Kai

    2016-06-01

    We propose a modified core-shell model to depict the size-dependent elastic properties of materials with several different cross-sections. By using the Young-Laplace equation, a modified Euler-Bernoulli equation, which has taken a power-law relation between the bulk and surface moduli into account, is derived. A finite element method of the modified Euler-Bernoulli equation is formulated, and assembled to investigate the dispersion relations of the infinite two-dimensional periodic square cellular networks. The effectiveness of the proposed core-shell model is verified by comparing with results of the experiments and the molecular dynamics simulations available in the literature. Numerical results show that surface effects play an important role on the cellular networks with small diameters, large aspect ratios and high wave frequencies. Meanwhile, the analytical expressions for the size-dependent elastic modulus may be useful for the study of the size-dependent elasticity of materials and structures at small length scales.

  2. First-principle investigation of the interactions between PtxRu55-x (x = 0, 13, 42, 55) nanoparticles and [BMIM][PF6] ionic liquid

    NASA Astrophysics Data System (ADS)

    Cheng, Ping; Liu, Chuan; Yang, Yongpeng; Huang, Shiping

    2015-05-01

    Density functional theory calculations have been performed to characterize the interactions between [BMIM][PF6] ionic liquid and icosahedral PtxRu55-x (x = 0, 13, 42, 55) nanoparticles. In Ru13Pt42-[BMIM][PF6], only one F atom of the anion form the bond with nanoparticle, resulting in the smallest interaction energy (-0.56 eV). While in Pt13Ru42-[BMIM][PF6], two F atoms of the anion together with two C atoms of cation form the bonds with nanoparticle, resulting in the biggest interaction energy (-10.65 eV). The interaction between [BMIM][PF6] and Pt13Ru42 is so strong that it induces a significant distortion in the original core-shell structure of Pt13Ru42. Moreover, after interacting with [BMIM][PF6], the Pt55, Pt13Ru42 and Ru55 nanoparticles become more stable based on the negative relaxation energy. The d-band centers of Pt13Ru42 and Ru55 shift from -1.90, -1.78 eV up to -1.78, -1.56 eV, suggesting that the catalytic activities of Pt13Ru42 and Ru55 are enhanced.

  3. Combined 3D-QSAR and Molecular Docking Study for Identification of Diverse Natural Products as Potent Pf ENR Inhibitors.

    PubMed

    Wadhwa, Preeti; Saha, Debasmita; Sharma, Anuj

    2015-01-01

    An in-house library of 200 molecules from natural plant products was designed in order to evaluate their binding to Plasmodium ACP enoyl reductase (ENR), a promising biological target for antimalarial chemotherapeutics. The binding site of PfENR was explored computationally and the molecules were docked using AutoDock. Furthermore, the top-ranked scaffolds from docking studies were also compared with known PfENR inhibitors using 3D-QSAR. To this effect, a 3D-QSAR model was derived from a set of experimentally established PfENR inhibitors, using Comparative Molecular Force Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA). The best optimum CoMFA model exhibited a leave-one-out correlation coefficient (q2) and a noncross- validated correlation coefficient (r2) of 0.630 and 0.911, respectively. The result of this cumulative approach proposed five structurally distinct natural products as potent PfENR inhibitors. This study may lay a stepping stone towards Functional oriented synthesis (FOS) of novel PfENR inhibitors in future. PMID:26517356

  4. The ALK inhibitor PF-06463922 is effective as a single agent in neuroblastoma driven by expression of ALK and MYCN.

    PubMed

    Guan, J; Tucker, E R; Wan, H; Chand, D; Danielson, L S; Ruuth, K; El Wakil, A; Witek, B; Jamin, Y; Umapathy, G; Robinson, S P; Johnson, T W; Smeal, T; Martinsson, T; Chesler, L; Palmer, R H; Hallberg, B

    2016-09-01

    The first-in-class inhibitor of ALK, c-MET and ROS1, crizotinib (Xalkori), has shown remarkable clinical efficacy in treatment of ALK-positive non-small cell lung cancer. However, in neuroblastoma, activating mutations in the ALK kinase domain are typically refractory to crizotinib treatment, highlighting the need for more potent inhibitors. The next-generation ALK inhibitor PF-06463922 is predicted to exhibit increased affinity for ALK mutants prevalent in neuroblastoma. We examined PF-06463922 activity in ALK-driven neuroblastoma models in vitro and in vivo In vitro kinase assays and cell-based experiments examining ALK mutations of increasing potency show that PF-06463922 is an effective inhibitor of ALK with greater activity towards ALK neuroblastoma mutants. In contrast to crizotinib, single agent administration of PF-06463922 caused dramatic tumor inhibition in both subcutaneous and orthotopic xenografts as well as a mouse model of high-risk neuroblastoma driven by Th-ALK(F1174L)/MYCN Taken together, our results suggest PF-06463922 is a potent inhibitor of crizotinib-resistant ALK mutations, and highlights an important new treatment option for neuroblastoma patients. PMID:27483357

  5. The ALK inhibitor PF-06463922 is effective as a single agent in neuroblastoma driven by expression of ALK and MYCN

    PubMed Central

    Guan, J.; Tucker, E. R.; Wan, H.; Chand, D.; Danielson, L. S.; Ruuth, K.; El Wakil, A.; Witek, B.; Jamin, Y.; Umapathy, G.; Robinson, S. P.; Johnson, T. W.; Smeal, T.; Martinsson, T.; Chesler, L.; Palmer, R. H.

    2016-01-01

    ABSTRACT The first-in-class inhibitor of ALK, c-MET and ROS1, crizotinib (Xalkori), has shown remarkable clinical efficacy in treatment of ALK-positive non-small cell lung cancer. However, in neuroblastoma, activating mutations in the ALK kinase domain are typically refractory to crizotinib treatment, highlighting the need for more potent inhibitors. The next-generation ALK inhibitor PF-06463922 is predicted to exhibit increased affinity for ALK mutants prevalent in neuroblastoma. We examined PF-06463922 activity in ALK-driven neuroblastoma models in vitro and in vivo. In vitro kinase assays and cell-based experiments examining ALK mutations of increasing potency show that PF-06463922 is an effective inhibitor of ALK with greater activity towards ALK neuroblastoma mutants. In contrast to crizotinib, single agent administration of PF-06463922 caused dramatic tumor inhibition in both subcutaneous and orthotopic xenografts as well as a mouse model of high-risk neuroblastoma driven by Th-ALKF1174L/MYCN. Taken together, our results suggest PF-06463922 is a potent inhibitor of crizotinib-resistant ALK mutations, and highlights an important new treatment option for neuroblastoma patients. PMID:27483357

  6. Chaotic vibrations of circular cylindrical shells: Galerkin versus reduced-order models via the proper orthogonal decomposition method

    NASA Astrophysics Data System (ADS)

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

    2006-03-01

    The geometric nonlinear response of a water-filled, simply supported circular cylindrical shell to harmonic excitation in the spectral neighbourhood of the fundamental natural frequency is investigated. The response is investigated for a fixed excitation frequency by using the excitation amplitude as bifurcation parameter for a wide range of variation. Bifurcation diagrams of Poincaré maps obtained from direct time integration and calculation of the Lyapunov exponents and Lyapunov dimension have been used to study the system. By increasing the excitation amplitude, the response undergoes (i) a period-doubling bifurcation, (ii) subharmonic response, (iii) quasi-periodic response and (iv) chaotic behaviour with up to 16 positive Lyapunov exponents (hyperchaos). The model is based on Donnell's nonlinear shallow-shell theory, and the reference 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 (dofs), validated in previous studies. The POD method, in conjunction with the Galerkin approach, permits to build a lower-dimensional model as compared to those obtainable via the conventional Galerkin approach. Periodic and quasi-periodic response around the fundamental resonance for fixed excitation amplitude, can be very successfully simulated with a 3-dof reduced-order model. However, in the case of large variation of the excitation, even a 5-dof reduced-order model is not fully accurate. Results show that the POD methodology is not as "robust" as the Galerkin method.

  7. Random three-dimensional jammed packings of elastic shells acting as force sensors.

    PubMed

    Jose, Jissy; van Blaaderen, Alfons; Imhof, Arnout

    2016-06-01

    In a jammed solid of granular particles, the applied stress is in-homogeneously distributed within the packing. A full experimental characterization requires measurement of all the interparticle forces, but so far such measurements are limited to a few systems in two and even fewer in three dimensions. Particles with the topology of (elastic) shells are good local force sensors as relatively large deformations of the shells result from relatively small forces. We recently introduced such fluorescent shells as a model granular system in which force distributions can be determined in three dimensions using confocal microscopy and quantitative image analysis. An interesting aspect about these shells that differentiates them from other soft deformable particles is their buckling behavior at higher compression. This leads to deformations that do not conserve the inner volume of the particle. Here we use this system to accurately measure the contact forces in a three-dimensional packing of shells subjected to a static anisotropic compression and to shear. At small deformations forces are linear, however, for a buckled contact, the restoring force is related to the amount of deformation by a square root law, as follows from the theory of elasticity of shells. Near the unjamming-jamming transition (point J), we found the probability distribution of the interparticle forces P(f) to decay nearly exponentially at large forces, with little evidence of long-range force chains in the packings. As the packing density is increased, the tail of the distribution was found to crossover to a Gaussian, in line with other experimental and simulation studies. Under a small shear strain, up to 0.216, applied at an extremely low shear rate, we observed a shear-induced anisotropy in both the pair correlation function and contact force network; however, no appreciable change was seen in the number of contacts per particle. PMID:27415341

  8. Low-dimensional models for the nonlinear vibration analysis of cylindrical shells based on a perturbation procedure and proper orthogonal decomposition

    NASA Astrophysics Data System (ADS)

    Gonçalves, P. B.; Silva, F. M. A.; Del Prado, Z. J. G. N.

    2008-08-01

    In formulating mathematical models for dynamical systems, obtaining a high degree of qualitative correctness (i.e. predictive capability) may not be the only objective. The model must be useful for its intended application, and models of reduced complexity are attractive in many cases where time-consuming numerical procedures are required. This paper discusses the derivation of discrete low-dimensional models for the nonlinear vibration analysis of thin cylindrical shells. In order to understand the peculiarities inherent to this class of structural problems, the nonlinear vibrations and dynamic stability of a circular cylindrical shell subjected to static and dynamic loads are analyzed. This choice is based on the fact that cylindrical shells exhibit a highly nonlinear behavior under both static and dynamic loads. Geometric nonlinearities due to finite-amplitude shell motions are considered by using Donnell's nonlinear shallow-shell theory. A perturbation procedure, validated in previous studies, is used to derive a general expression for the nonlinear vibration modes and the discretized equations of motion are obtained by the Galerkin method using modal expansions for the displacements that satisfy all the relevant boundary and symmetry conditions. Next, the model is analyzed via the Karhunen-Loève expansion to investigate the relative importance of each mode obtained by the perturbation solution on the nonlinear response and total energy of the system. The responses of several low-dimensional models are compared. It is shown that rather low-dimensional but properly selected models can describe with good accuracy the response of the shell up to very large vibration amplitudes.

  9. Shell Model Based Reaction Rates for rp-PROCESS Nuclei in the Mass Range A=44-63

    NASA Astrophysics Data System (ADS)

    Fisker, J. L.; Barnard, V.; Görres, J.; Langanke, K.; Martínez-Pinedo, G.; Wiescher, M. C.

    2001-11-01

    We have used large-scale shell-model diagonalization calculations to determine the level spectra, proton spectroscopic factors, and electromagnetic transition probabilities for proton rich nuclei in the mass range A=44-63. Based on these results and the available experimental data, we calculated the resonances for proton capture reactions on neutron deficient nuclei in this mass range. We also calculated the direct capture processes on these nuclei in the framework of a Woods-Saxon potential model. Taking into account both resonant and direct contributions, we determined the ground-state proton capture reaction rates for these nuclei under hot hydrogen burning conditions for temperatures between 108 and 1010 K. The calculated compound-nucleus level properties and the reaction rates are presented here; the rates are also available in computer-readable format from the authors.

  10. More on Bogomol'nyi equations of three-dimensional generalized Maxwell-Higgs model using on-shell method

    NASA Astrophysics Data System (ADS)

    Atmaja, A. N.; Ramadhan, H. S.; da Hora, E.

    2016-02-01

    We use a recent on-shell method, developed in [1], to construct Bogomol'nyi equations of the three-dimensional generalized Maxwell-Higgs model [2]. The resulting Bogomol'nyi equations are parametrized by a constant C 0 and they can be classified into two types determined by the value of C 0 = 0 and C 0 ≠ 0. We identify that the Bogomol'nyi equations obtained by Bazeia et al. [2] are of the ( C 0 = 0)-type Bogomol'nyi equations. We show that the Bogomol'nyi equations of this type do not admit the Prasad-Sommerfield limit in its spectrum. As a resolution, the vacuum energy must be lifted up by adding some constant to the potential. Some possible solutions whose energy equal to the vacuum are discussed briefly. The on-shell method also reveals a new ( C 0 ≠ 0)-type Bogomol'nyi equations. This non-zero C 0 is related to a non-trivial function {f}_{{C}_0} defined as a difference between energy density of the scalar potential term and of the gauge kinetic term. It turns out that these Bogomol'nyi equations correspond to vortices with locally non-zero pressures, while their average pressure {P} remain zero globally by the finite energy constraint.

  11. Validation of a FBC model for co-firing of hazelnut shell with lignite against experimental data

    SciTech Connect

    Kulah, Gorkem

    2010-07-15

    Performance of a comprehensive system model extended for modelling of co-firing of lignite and biomass was assessed by applying it to METU 0.3 MW{sub t} Atmospheric Bubbling Fluidized Bed Combustor co-firing lignite with hazelnut shell and validating its predictions against on-line temperature and concentration measurements of O{sub 2}, CO{sub 2}, CO, SO{sub 2} and NO along the same test rig fired with lignite only, lignite with limestone addition and lignite with biomass and limestone addition. The system model accounts for hydrodynamics; volatiles release and combustion, char combustion, particle size distribution for lignite and biomass; entrainment; elutriation; sulfur retention and NO formation and reduction, and is based on conservation equations for energy and chemical species. Special attention was paid to different devolatilization characteristics of lignite and biomass. A volatiles release model based on a particle movement model and a devolatilization kinetic model were incorporated into the system model separately for both fuels. Kinetic parameters for devolatilization were determined via thermogravimetric analysis. Predicted and measured temperatures and concentrations of gaseous species along the combustor were found to be in good agreement. Introduction of biomass to lignite was found to decrease SO{sub 2} emissions but did not affect NO emissions significantly. The system model proposed in this study proves to be a useful tool in qualitatively and quantitatively simulating the processes taking place in a bubbling fluidized bed combustor burning lignite with biomass. (author)

  12. Delta excitations and shell-model information in heavy-ion, charge-exchange reactions

    NASA Technical Reports Server (NTRS)

    Deutchman, P. A.; Maung, K. M.; Norbury, J. W.; Rasmussen, J. O.; Townsend, L. W.

    1986-01-01

    We calculate total cross sections for coherent pion production using localized plane-wave approximations for the shell-structure of valence nucleons that are excited to delta particles in the intermediate state in the (12C, 12B) and (12C, 12N) charge-exchange, heavy-ion reactions. We find comparable agreement to projectile downshift data for 12C(12C, 12B)12N. Then we improve the formalism by replacing the localized plane wave bound states with harmonic oscillator states which are imbedded in a multipole expansion approach and calculate pion differential cross sections to test for the sensitivity of the spectra to the single-particle mass parameter.

  13. Spatio-temporal Modeling of Lasing Action in Core–Shell Metallic Nanoparticles

    PubMed Central

    2016-01-01

    Nanoscale laser sources based on single metallic nanoparticles (spasers) have attracted significant interest for their fundamental implications and technological potential. Here we theoretically investigate the spatio-temporal dynamics of lasing action in core–shell metallic nanoparticles that include optically pumped four-level gain media. By using detailed semiclassical simulations based on a time-domain generalization of the finite-element method, we study the evolution of the lasing dynamics when going from a spherical case to an elongated nanorod configuration. Our calculations show that there exists an optimal nanoparticle elongation that exhibits significantly improved lasing threshold and slope efficiency over those obtained for its spherical counterpart. These results are accounted for in terms of a coupled-mode theory analysis of the variation with elongation of the light confinement properties of localized surface plasmons. This work could be of importance for further development of nanoscale light sources based on localized surface plasmon resonances. PMID:27785457

  14. The structure of circumstellar shells

    NASA Technical Reports Server (NTRS)

    Fix, John D.

    1993-01-01

    This document provides a report on research activities carried out with the support of NASA grant NAG 5-1174, the Structure of Circumstellar Shells, funded under the Astrophysics Data Program. The research carried out with the support of this grant is a study of the properties of circumstellar dust shells for which spectra are available through IRAS low resolution spectrometry (LRS). This research consisted of the development and application of models of axisymmetric circumstellar shells and a preliminary survey of the applicability of neural nets for analysis of the IRAS LRS spectra of circumstellar dust shells.

  15. A geometrically exact Cosserat shell-model including size effects, avoiding degeneracy in the thin shell limit. Part I: Formal dimensional reduction for elastic plates and existence of minimizers for positive Cosserat couple modulus

    NASA Astrophysics Data System (ADS)

    Neff, P.

    2004-10-01

    This contribution is concerned with a consistent formal dimensional reduction of a previously introduced finite-strain three-dimensional Cosserat micropolar elasticity model to the two-dimensional situation of thin plates and shells. Contrary to the direct modelling of a shell as a Cosserat surface with additional directors, we obtain the shell model from the Cosserat bulk model which already includes a triad of rigid directors. The reduction is achieved by assumed kinematics, quadratic through the thickness. The three-dimensional transverse boundary conditions can be evaluated analytically in terms of the assumed kinematics and determines exactly two appearing coefficients in the chosen ansatz. Further simplifications with subsequent analytical integration through the thickness determine the reduced model in a variational setting. The resulting membrane energy turns out to be a quadratic, elliptic, first order, non degenerate energy in contrast to classical approaches. The bending contribution is augmented by a curvature term representing an additional stiffness of the Cosserat model and the corresponding system of balance equations remains of second order. The lateral boundary conditions for simple support are non-standard. The model includes size-effects, transverse shear resistance, drilling degrees of freedom and accounts implicitly for thickness extension and asymmetric shift of the midsurface. The formal thin shell “membrane” limit without classical h 3-bending term is non-degenerate due to the additional Cosserat curvature stiffness and control of drill rotations. In our formulation, the drill-rotations are strictly related to the size-effects of the bulk model and not introduced artificially for numerical convenience. Upon linearization with zero Cosserat couple modulus μ_c = 0 we recover the well known infinitesimal-displacement Reissner-Mindlin model without size-effects and without drill-rotations. It is shown that the dimensionally reduced

  16. Off-shell extrapolation of Regge-model NN scattering amplitudes describing final state interactions in 2H(e,e'p)

    DOE PAGES

    Ford, William Paul; van Orden, Wally

    2013-11-25

    In this work, an off-shell extrapolation is proposed for the Regge-model NN amplitudes presented in a paper by Ford and Van Orden [ Phys. Rev. C 87 014004 (2013)] and in an eprint by Ford (arXiv:1310.0871 [nucl-th]). The prescriptions for extrapolating these amplitudes for one nucleon off-shell in the initial state are presented. Application of these amplitudes to calculations of deuteron electrodisintegration are presented and compared to the limited available precision data in the kinematical region covered by the Regge model.

  17. Off-shell extrapolation of Regge-model NN scattering amplitudes describing final state interactions in 2H(e,e'p)

    SciTech Connect

    Ford, William Paul; van Orden, Wally

    2013-11-25

    In this work, an off-shell extrapolation is proposed for the Regge-model NN amplitudes presented in a paper by Ford and Van Orden [ Phys. Rev. C 87 014004 (2013)] and in an eprint by Ford (arXiv:1310.0871 [nucl-th]). The prescriptions for extrapolating these amplitudes for one nucleon off-shell in the initial state are presented. Application of these amplitudes to calculations of deuteron electrodisintegration are presented and compared to the limited available precision data in the kinematical region covered by the Regge model.

  18. PF2fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps.

    PubMed

    Bettadapura, Radhakrishna; Rasheed, Muhibur; Vollrath, Antje; Bajaj, Chandrajit

    2015-10-01

    There continue to be increasing occurrences of both atomistic structure models in the PDB (possibly reconstructed from X-ray diffraction or NMR data), and 3D reconstructed cryo-electron microscopy (3D EM) maps (albeit at coarser resolution) of the same or homologous molecule or molecular assembly, deposited in the EMDB. To obtain the best possible structural model of the molecule at the best achievable resolution, and without any missing gaps, one typically aligns (match and fits) the atomistic structure model with the 3D EM map. We discuss a new algorithm and generalized framework, named PF(2) fit (Polar Fast Fourier Fitting) for the best possible structural alignment of atomistic structures with 3D EM. While PF(2) fit enables only a rigid, six dimensional (6D) alignment method, it augments prior work on 6D X-ray structure and 3D EM alignment in multiple ways: Scoring. PF(2) fit includes a new scoring scheme that, in addition to rewarding overlaps between the volumes occupied by the atomistic structure and 3D EM map, rewards overlaps between the volumes complementary to them. We quantitatively demonstrate how this new complementary scoring scheme improves upon existing approaches. PF(2) fit also includes two scoring functions, the non-uniform exterior penalty and the skeleton-secondary structure score, and implements the scattering potential score as an alternative to traditional Gaussian blurring. Search. PF(2) fit utilizes a fast polar Fourier search scheme, whose main advantage is the ability to search over uniformly and adaptively sampled subsets of the space of rigid-body motions. PF(2) fit also implements a new reranking search and scoring methodology that considerably improves alignment metrics in results obtained from the initial search.

  19. PF2 fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps

    PubMed Central

    Bettadapura, Radhakrishna; Rasheed, Muhibur; Vollrath, Antje; Bajaj, Chandrajit

    2015-01-01

    There continue to be increasing occurrences of both atomistic structure models in the PDB (possibly reconstructed from X-ray diffraction or NMR data), and 3D reconstructed cryo-electron microscopy (3D EM) maps (albeit at coarser resolution) of the same or homologous molecule or molecular assembly, deposited in the EMDB. To obtain the best possible structural model of the molecule at the best achievable resolution, and without any missing gaps, one typically aligns (match and fits) the atomistic structure model with the 3D EM map. We discuss a new algorithm and generalized framework, named PF2 fit (Polar Fast Fourier Fitting) for the best possible structural alignment of atomistic structures with 3D EM. While PF2 fit enables only a rigid, six dimensional (6D) alignment method, it augments prior work on 6D X-ray structure and 3D EM alignment in multiple ways: Scoring. PF2 fit includes a new scoring scheme that, in addition to rewarding overlaps between the volumes occupied by the atomistic structure and 3D EM map, rewards overlaps between the volumes complementary to them. We quantitatively demonstrate how this new complementary scoring scheme improves upon existing approaches. PF2 fit also includes two scoring functions, the non-uniform exterior penalty and the skeleton-secondary structure score, and implements the scattering potential score as an alternative to traditional Gaussian blurring. Search. PF2 fit utilizes a fast polar Fourier search scheme, whose main advantage is the ability to search over uniformly and adaptively sampled subsets of the space of rigid-body motions. PF2 fit also implements a new reranking search and scoring methodology that considerably improves alignment metrics in results obtained from the initial search. PMID:26469938

  20. PF2fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps.

    PubMed

    Bettadapura, Radhakrishna; Rasheed, Muhibur; Vollrath, Antje; Bajaj, Chandrajit

    2015-10-01

    There continue to be increasing occurrences of both atomistic structure models in the PDB (possibly reconstructed from X-ray diffraction or NMR data), and 3D reconstructed cryo-electron microscopy (3D EM) maps (albeit at coarser resolution) of the same or homologous molecule or molecular assembly, deposited in the EMDB. To obtain the best possible structural model of the molecule at the best achievable resolution, and without any missing gaps, one typically aligns (match and fits) the atomistic structure model with the 3D EM map. We discuss a new algorithm and generalized framework, named PF(2) fit (Polar Fast Fourier Fitting) for the best possible structural alignment of atomistic structures with 3D EM. While PF(2) fit enables only a rigid, six dimensional (6D) alignment method, it augments prior work on 6D X-ray structure and 3D EM alignment in multiple ways: Scoring. PF(2) fit includes a new scoring scheme that, in addition to rewarding overlaps between the volumes occupied by the atomistic structure and 3D EM map, rewards overlaps between the volumes complementary to them. We quantitatively demonstrate how this new complementary scoring scheme improves upon existing approaches. PF(2) fit also includes two scoring functions, the non-uniform exterior penalty and the skeleton-secondary structure score, and implements the scattering potential score as an alternative to traditional Gaussian blurring. Search. PF(2) fit utilizes a fast polar Fourier search scheme, whose main advantage is the ability to search over uniformly and adaptively sampled subsets of the space of rigid-body motions. PF(2) fit also implements a new reranking search and scoring methodology that considerably improves alignment metrics in results obtained from the initial search. PMID:26469938

  1. CPG-7909 (PF-3512676, ProMune): toll-like receptor-9 agonist in cancer therapy.

    PubMed

    Murad, Yanal M; Clay, Timothy M; Lyerly, H Kim; Morse, Michael A

    2007-08-01

    Stimulation of toll-like receptor (TLR)9 activates human plasmacytoid dendritic cells and B cells, and induces potent innate immune responses in preclinical tumor models and in patients. CpG oligodeoxynucleotides (ODNs) are TLR9 agonists that show promising results as vaccine adjuvants and in the treatment of cancers, infections, asthma and allergy. PF-3512676 (ProMune) was developed as a TLR9 agonist for the treatment of cancer as monotherapy and as an adjuvant in combination with chemo- and immunotherapy. Phase I and II trials have tested this drug in several hematopoietic and solid tumors. Pfizer has initiated Phase III trials to test PF-3512676 in combination with standard chemotherapy for non-small-cell lung cancer. PMID:17696823

  2. A pseudo-atomic model for the capsid shell of bacteriophage lambda using chemical cross-linking/mass spectrometry and molecular modeling.

    PubMed

    Singh, Pragya; Nakatani, Eri; Goodlett, David R; Catalano, Carlos Enrique

    2013-09-23

    Bacteriophage lambda is one of the most exhaustively studied of the double-stranded DNA viruses. Its assembly pathway is highly conserved among the herpesviruses and many of the bacteriophages, making it an excellent model system. Despite extensive genetic and biophysical characterization of many of the lambda proteins and the assembly pathways in which they are implicated, there is a relative dearth of structural information on many of the most critical proteins involved in lambda assembly and maturation, including that of the lambda major capsid protein. Toward this end, we have utilized a combination of chemical cross-linking/mass spectrometry and computational modeling to construct a pseudo-atomic model of the lambda major capsid protein as a monomer, as well as in the context of the assembled procapsid shell. The approach described here is generalizable and can be used to provide structural models for any biological complex of interest. The procapsid structural model is in good agreement with published biochemical data indicating that procapsid expansion exposes hydrophobic surface area and that this serves to nucleate assembly of capsid decoration protein, gpD. The model further implicates additional molecular interactions that may be critical to the assembly of the capsid shell and for the stabilization of the structure by the gpD decoration protein.

  3. The effect of the {Delta} three-body force on effective nucleon-nucleon interactions of the nuclear shell-model

    SciTech Connect

    Lee, T.S.H.; Kuo, T.T.S.; Tzeng, Y.

    1995-08-01

    The effect of the A three-nucleon force on the shell-model effective interaction is investigated by evaluating the A particle-nucleon hole core polarization diagrams G{sub pp{Delta}h} within the folded-diagram formulation. The calculation has been performed using the NN {yields} N{Delta} transition G-matrix generated from a coupled-channel {pi}NN model which is constrained by the NN data up to 1 GeV and is based on a {Delta}-subtracted Paris potential. Satisfactory convergence of the calculation is reached by including the {Delta} excitations up to 20 oscillator shells. The {Delta}-hole core-polarization diagrams G{sub pp{Delta}h} are found to be very small for the sd-shell valence nucleons. A paper describing our results is being prepared for publication.

  4. Off-shell effects in the relativistic mean field model and their role in CC (anti)neutrino scattering at MiniBooNE kinematics

    NASA Astrophysics Data System (ADS)

    Ivanov, M. V.; González-Jiménez, R.; Caballero, J. A.; Barbaro, M. B.; Donnelly, T. W.; Udías, J. M.

    2013-11-01

    The relativistic mean field (RMF) model is used to describe nucleons in the nucleus and thereby to evaluate the effects of having dynamically off-shell spinors. Compared with free, on-shell nucleons as employed in some other models, within the RMF nucleons are described by relativistic spinors with strongly enhanced lower components. In this work it is seen that for MiniBooNE kinematics, neutrino charged-current quasielastic cross sections show some sensitivity to these off-shell effects, while for the antineutrino-nucleus case the total cross sections are seen to be essentially independent of the enhancement of the lower components. As was found to be the case when comparing the RMF results with the neutrino-nucleus data, the present impulse approximation predictions within the RMF also fall short of the MiniBooNE antineutrino-nucleus data.

  5. Implementation of the Graduated Cylindrical Shell Model for the Three-dimensional Reconstruction of Coronal Mass Ejections

    NASA Astrophysics Data System (ADS)

    Thernisien, A.

    2011-06-01

    The graduated cylindrical shell (GCS) model developed by Thernisien et al. has been used with the goal of studying the three-dimensional morphology, position, and kinematics of coronal mass ejections observed by coronagraphs. These studies focused more on the results rather than the details of the model itself. As more researchers begin to use the model, it becomes necessary to provide a deeper discussion on how it is derived, which is the purpose of this paper. The model is built using the following features and constraints: (1) the legs are conical, (2) the front is pseudo-circular, (3) the cross section is circular, and (4) it expands in a self-similar way. We derive the equation of the model from these constraints. We also show that the ice-cream cone model is a limit of the GCS when the two legs overlap completely. Finally, we provide formulae for the calculation of various geometrical dimensions, such as angular width and aspect ratio, as well as the pseudo-code that is used for its computer implementation.

  6. IMPLEMENTATION OF THE GRADUATED CYLINDRICAL SHELL MODEL FOR THE THREE-DIMENSIONAL RECONSTRUCTION OF CORONAL MASS EJECTIONS

    SciTech Connect

    Thernisien, A.

    2011-06-01

    The graduated cylindrical shell (GCS) model developed by Thernisien et al. has been used with the goal of studying the three-dimensional morphology, position, and kinematics of coronal mass ejections observed by coronagraphs. These studies focused more on the results rather than the details of the model itself. As more researchers begin to use the model, it becomes necessary to provide a deeper discussion on how it is derived, which is the purpose of this paper. The model is built using the following features and constraints: (1) the legs are conical, (2) the front is pseudo-circular, (3) the cross section is circular, and (4) it expands in a self-similar way. We derive the equation of the model from these constraints. We also show that the ice-cream cone model is a limit of the GCS when the two legs overlap completely. Finally, we provide formulae for the calculation of various geometrical dimensions, such as angular width and aspect ratio, as well as the pseudo-code that is used for its computer implementation.

  7. Shell structure and phase relations in electronic properties of metal nanowires from an electron-gas model

    NASA Astrophysics Data System (ADS)

    Han, Yong; Liu, Da-Jiang

    2010-09-01

    The electronic and dynamic properties of metal nanowires are analyzed by using a minimal electron-gas model (EGM), in which the nanowire is treated as a close system with variable Fermi energy as a function of nanowire radius. We show that the planar surface energy and the curvature energy from the EGM are reasonably consistent with those from previous stabilized-jellium-model calculations, especially for metals with low electron densities. The EGM shell structure due to the fillings of quantum-well subbands is similar to that from the stabilized jellium model. The crossings between subbands and Fermi energy level for the metal nanowire correspond to cusps on the chemical-potential curve versus nanowire radius, but inflection points on the surface-free-energy curve versus the radius, as in the case of metal nanofilms. We also find an oscillatory variation in electron density versus radius at the nanowire center with a global oscillation period which approximately equals half Fermi wavelength. Wire string tension, average binding energy, and thermodynamic stability from the EGM are in good agreement with the data from previous first-principles density-functional theory calculations. We also compare our model with those from previous reported free-electron models, in which the nanowire is treated as an open system with a constant Fermi energy. We demonstrate that the fundamental thermodynamic properties depend sensitively on the way that the potential wall is constructed in the models.

  8. Investigation of the recombination of the retarded shell of ``born-again'' CSPNe by time-dependent radiative transfer models

    NASA Astrophysics Data System (ADS)

    Koskela, Antti; Dalnodar, Silvia; Kissmann, Ralf; Reimer, Anita; Ostermann, Alexander; Kimeswenger, Stefan

    2012-08-01

    A standard planetary nebula stays more than 10 000 years in the state of a photoionized nebula. As long as the timescales of the most important ionizing processes are much smaller, the ionization state can be characterized by a static photoionization model and simulated with codes like CLOUDY (Ferland et al. 1998). When the star exhibits a late helium flash, however, its ionizing flux stops within a very short period. The star then re-appears from its opaque shell after a few years (or centuries) as a cold giant star without any hard ionizing photons. Describing the physics of such behavior requires a fully time-dependent radiative transfer model. Pollacco (1999), Kerber et al. (1999) and Lechner & Kimeswenger (2004) used data of the old nebulae around V605 Aql and V4334 Sgr to derive a model of the pre-outburst state of the CSPN in a static model. Their argument was the long recombination time scale for such thin media. With regard to these models Schönberner (2008) critically raised the question whether a significant change in the ionization state (and thus the spectrum) has to be expected after a time of up to 80 years, and whether static models are applicable at all.

  9. Model-based analysis of multi-shell diffusion MR data for tractography: How to get over fitting problems

    PubMed Central

    Jbabdi, Saad; Sotiropoulos, Stamatios N; Savio, Alexander M; Graña, Manuel; Behrens, Timothy EJ

    2012-01-01

    In this article, we highlight an issue that arises when using multiple b-values in a model-based analysis of diffusion MR data for tractography. The non-mono-exponential decay, commonly observed in experimental data, is shown to induce over-fitting in the distribution of fibre orientations when not considered in the model. Extra fibre orientations perpendicular to the main orientation arise to compensate for the slower apparent signal decay at higher b-values. We propose a simple extension to the ball and stick model based on a continuous Gamma distribution of diffusivities, which significantly improves the fitting and reduces the over-fitting. Using in-vivo experimental data, we show that this model outperforms a simpler, noise floor model, especially at the interfaces between brain tissues, suggesting that partial volume effects are a major cause of the observed non-mono-exponential decay. This model may be helpful for future data acquisition strategies that may attempt to combine multiple shells to improve estimates of fibre orientations in white matter and near the cortex. PMID:22334356

  10. TRAC-PF1 MOD1 post test calculations of the OECD LOFT Experiment LP-SB-1

    SciTech Connect

    Allen, E J

    1990-04-01

    Analysis of the small, hot leg break, OECD LOFT Experiment LP-SB-1. using the best-estimate'' computer code TRAC-PF1/MOD1 is presented. Descriptions of the LOFT facility and the LP-SB-1 experiment are given and development of the TRAC-PF1/MOD1 input model is detailed. The calculations performed in achieving the steady state conditions, from which the experiment was initiated, and the specification of experimental boundary conditions are outlined. 24 refs., 66 figs., 12 tabs.

  11. Astrophysical S-factor for 6Li(ρ, γ)7Be in the coupled-channel Gamow shell model

    NASA Astrophysics Data System (ADS)

    Dong, G. X.; Fossez, K.; Michel, N.; Płoszajczak, M.

    2016-02-01

    We have applied the Gamow shell model (GSM) in the coupled-channel representation to study the astrophysical S-factor for the proton radiative capture reaction of 6Li. Reaction channels are built by coupling the proton wave function expanded in different partial waves with the GSM wave functions of the ground state (1+) and the excited states (31+, 01+ and 21+) of 6Li. All relevant E1, M1, and E2 transitions from the initial continuum states in 7Be to the final bound states (3/21- and 1/21-) are included. It is found that the calculated total astrophysical S factor for this reaction agrees well with the experimental data.

  12. Electro-magneto-encephalography for the three-shell model: numerical implementation via splines for distributed current in spherical geometry

    NASA Astrophysics Data System (ADS)

    Fokas, A. S.; Hauk, O.; Michel, V.

    2012-03-01

    The basic inverse problems for the functional imaging techniques of electroencephalography (EEG) and magnetoencephalography (MEG) consist in estimating the neuronal current in the brain from the measurement of the electric potential on the scalp and of the magnetic field outside the head. Here we present a rigorous derivation of the relevant formulae for a three-shell spherical model in the case of independent as well as simultaneous MEG and EEG measurements. Furthermore, we introduce an explicit and stable technique for the numerical implementation of these formulae via splines. Numerical examples are presented using the locations and the normal unit vectors of the real 102 magnetometers and 70 electrodes of the Elekta Neuromag (R) system. These results may have useful implications for the interpretation of the reconstructions obtained via the existing approaches.

  13. Shell-model study of the 4th- and 6th-forbidden β-decay branches of Ca48

    NASA Astrophysics Data System (ADS)

    Haaranen, M.; Horoi, M.; Suhonen, J.

    2014-03-01

    The highly forbidden β- decay of Ca48 is reexamined by performing shell-model calculations with the GXPF1A effective interaction. We examine the three available decay branches to the lowest 6+, 5+, and 4+ states of 48Sc, and extract a theoretical half-life of T1/2β=5.2-1.3+1.7×1020gA-2 yr for the β- decay, where gA is the value of the axial-vector coupling constant. The current half-life estimate suggests stronger competition between the single-β-decay and double-β-decay branches of Ca48 than previously expected on theoretical grounds.

  14. Identification of excited states and shell model description of the N=Z+1 nucleus {sup 91}Rh

    SciTech Connect

    Marginean, N.; Rusu, C.; Bucurescu, D.; Ionescu-Bujor, M.; Iordachescu, A.; Alvarez, C. Rossi; Bazzacco, D.; Lunardi, S.; Pavan, P.; Farnea, E.; Lenzi, S.M.; Menegazzo, R.; Ur, C.A.; De Angelis, G.; Axiotis, M.; Gadea, A.; Martinez, T.; Napoli, D.R.; Spolaore, P.; Zhang, Y.H.

    2005-07-01

    High-spin excited states have been identified in the N=Z+1 nucleus {sup 91}Rh with the reaction {sup 54}Fe({sup 40}Ca,p2n{gamma}) at 130 MeV, using the GASP array, the ISIS silicon array, and the n-ring detector system. Two structures have been observed, the positive-parity yrast sequence above the (9/2{sup +}) ground state and a sequence assigned to negative parity that is built on a possible (1/2{sup -}) isomeric state. The observed structures are compared with various shell-model calculations in the (p{sub 1/2},g{sub 9/2}) space.

  15. Charge radii and electromagnetic moments of Li and Be isotopes from the ab initio no-core shell model

    SciTech Connect

    Forssen, C.; Caurier, E.; Navratil, P.

    2009-02-15

    Recently, charge radii and ground-state electromagnetic moments of Li and Be isotopes were measured precisely. We have performed large-scale ab initio no-core shell model calculations for these isotopes using high-precision nucleon-nucleon potentials. The isotopic trends of our computed charge radii and quadrupole and magnetic-dipole moments are in good agreement with experimental results with the exception of the {sup 11}Li charge radius. The magnetic moments are in particular well described, whereas the absolute magnitudes of the quadrupole moments are about 10% too small. The small magnitude of the {sup 6}Li quadrupole moment is reproduced, and with the CD-Bonn NN potential, also its correct sign.

  16. Pygmy dipole response of proton-rich argon nuclei in random-phase approximation and no-core shell model

    SciTech Connect

    Barbieri, C.; Martinez-Pinedo, G.; Caurier, E.; Langanke, K.

    2008-02-15

    The occurrence of a pygmy dipole resonance in proton rich {sup 32,34}Ar is studied using the unitary correlator operator method interaction V{sub UCOM}, based on Argonne V18. Predictions from the random-phase approximation (RPA) and the shell model in a no-core basis are compared. It is found that the inclusion of configuration mixing up to two-particles-two-holes broadens the pygmy strength slightly and reduces sensibly its strength, as compared to the RPA predictions. For {sup 32}Ar, a clear peak associated with a pygmy resonance is found. For {sup 34}Ar, the pygmy states are obtained close to the giant dipole resonance and mix with it.

  17. Appraisal of the Kuo-Herling shell-model interaction and application to A =210--212 nuclei

    SciTech Connect

    Warburton, E.K. ); Brown, B.A. )

    1991-02-01

    Shell-model calculations are described for {ital A}=204--212 nuclei. These calculations use the Kuo-Herling realistic effective interactions for hole states and particle states relative to {sup 208}Pb. These interactions contain a bare part and a core-polarization contribution. The contribution of the core polarization was varied to find the best fit to the energy spectra of {ital A}=204--206 and 210--212 nuclei. This and other modifications to the Kuo-Herling interaction---designed to give better agreement with experimental energy spectra---are discussed. Aspects of the spectroscopy of {sup 211{minus}212}Pb, {sup 210}Po, {sup 212}Ra, {sup 210}Bi, and {sup 212}At are presented in order to illustrate the use of the Kuo-Herling particle interaction. Deficiencies in the Kuo-Herling interaction are described and the desirability and possibility of an improved calculation of the interaction is emphasized.

  18. Charge Radii and Electromagnetic Moments of Li and Be Isotopes from the Ab Initio No-Core Shell Model

    SciTech Connect

    Forssen, C; Caurier, E; Navratil, P

    2008-12-23

    Recently, charge radii and ground-state electromagnetic moments of Li and Be isotopes were measured precisely. We have performed large-scale ab initio no-core shell model calculations for these isotopes using high-precision nucleon-nucleon potentials. Our computed charge radii, quadrupole and magnetic-dipole moments are in a good agreement with the measurements with the exception of the {sup 11}Li charge radius. The overall trends of all observables are well reproduced. The magnetic moments are in particular well described. Also, we are able to reproduce the small magnitude of the {sup 6}Li quadrupole moment and with the CD-Bonn NN potential also its correct sign.

  19. Mechanism and modelling of aluminium nanoparticle oxidation coupled with crystallisation of amorphous Al2O3 shell

    NASA Astrophysics Data System (ADS)

    Kong, Chengdong; Yu, Dan; Li, Shuiqing; Yao, Qiang

    2016-03-01

    The oxidation of aluminium nanoparticles coupled with crystallisation of amorphous alumina shell is investigated through the thermogravimetric analyser and differential scanning calorimetry (TGA-DSC) and the transmission electron microscope (TEM). The thermogravimetric (TG) curves show stepwise shapes with temperature increase and could be divided into four stages. The reaction at the second stage is complex, including the simultaneous crystallisation of amorphous alumina (am-Al2O3) and Al oxidation. The crystallisation of am-Al2O3 promotes the reaction through generating fast diffusion channels, like micro-cracks and grain boundaries in the oxide shell to accelerate the ionic diffusion. An enhancement factor (freact), which follows a power-law formula with the crystallisation rate, is introduced to quantify the impact of crystallisation on reaction. With heating rate increase, the second stage of TG curves shifts to the high temperature regime and the total weight gain at the second stage decreases slowly. A crystallisation-reaction model is constructed to fit and predict the weight gain after derivation of diffusivities and crystallisation kinetics. Modelling indicates that with heating rate rise, the mass increment at the second stage of TG curves decreases owing to the reduced reaction time, although the reaction is accelerated. The shift of TG curve to higher temperature is due to the polymorphic phase transition. Actually the derived kinetics of the crystallisation of amorphous alumina indicates that the polymorphic phase transformation mechanism works mainly below the heating rate of 3 K s-1. At higher heating rate, the melting of Al takes place firstly and the crystallisation of am-Al2O3 follows to enhance the ionic diffusion. Therefore, when the heating rate is fast during ignition or combustion, the Al nanoparticles undergo both the melting of Al and the polymorphic phase transition of am-Al2O3 to accelerate the reaction.

  20. Cortical shell-liquid core model for passive flow of liquid-like spherical cells into micropipets.

    PubMed Central

    Yeung, A; Evans, E

    1989-01-01

    Many nonadherent cells exist as spheres in suspension and when sucked into pipets, deform continuously like liquids within the fixed surface area limitation of a plasma membrane envelope. After release, these cells eventually recover their spherical form. Consequently, pipet aspiration test provides a useful method to assay the apparent viscosity of such cells. For this purpose, we have analyzed the inertialess flow of a liquid-like model cell into a tube at constant suction pressure. The cell is modeled as a uniform liquid core encapsulated by a distinct cortical shell. The method of analysis employs a variational approach that minimizes errors in boundary conditions defined by the equations of motion for the cortical shell where the trial functions are exact solutions for the flow field inside the liquid core. For the particular case of an anisotropic liquid cortex with persistent tension, we have determined universal predictions for flow rate scaled by the ratio of excess pressure (above the threshold established by the cortical tension) and core viscosity which is the reciprocal of the dynamic resistance to entry. The results depend on pipet to cell size ratio and a parameter that characterizes the ratio of viscous flow resistance in the cortex to that inside the cytoplasmic core. The rate of entry increases markedly as the pipet size approaches the outer segment diameter of the cell. Viscous dissipation in the cortex strongly influences the entry flow resistance for small tube sizes but has little effect for large tubes. This indicates that with sufficient experimental resolution, measurement of cell entry flow with different-size pipets could establish both the cortex to cell dissipation ratio as well as the apparent viscosity of the cytoplasmic core. Images FIGURE 1 PMID:2752083

  1. FRACTIONAL CRYSTALLIZATION OF HANFORD SINGLE SHELL TANK (SST) WASTES A MODELING APPROACH

    SciTech Connect

    HAMILTON, D.W.

    2006-12-21

    The Hanford site has 149 underground single-shell tanks (SST) storing mostly soluble, multi-salt, mixed wastes resulting from Cold War era weapons material production. These wastes must be retrieved and the salts immobilized before the tanks can be closed to comply with an overall site closure consent order entered into by the U.S. Department of Energy (DOE), the Environmental Protection Agency, and Washington State. Water will be used to retrieve the wastes and the resulting solution will be pumped to the proposed treatment process where a high curie (primarily {sup 137}Cs) waste fraction will be separated from the other waste constituents. The separated waste streams will then be vitrified to allow for safe storage as an immobilized high level waste, or low level waste, borosilicate glass. Fractional crystallization, a common unit operation for production of industrial chemicals and pharmaceuticals, was proposed as the method to separate the salt wastes; it works by evaporating excess water until the solubilities of various species in the solution are exceeded (the solubility of a particular species depends on its concentration, temperature of the solution, and the presence of other ionic species in the solution). By establishing the proper conditions, selected pure salts can be crystallized and separated from the radioactive liquid phase.

  2. Modeling the shell type TeV supernove remnant RX J1713-3946

    SciTech Connect

    Fryer, Christopher Lee; Fan, Zhonghui; Liu, Siming

    2009-01-01

    We simulate the shock waves of shell type supernova remnants with a prototype progenitor of 15 M{sub {circle_dot}} and fit the size and lifetime of SNR RX J1713-3946 with a density of {approx} 1O{sup -26}g cm{sup -3} for the shocked downstream plasma. Such a density is required for efficient stochastic electron acceleration and leads to a thermal X-ray flux more than one order of magnitude lower than the observed featureless X-ray flux. Fast mode waves must be excited to have efficient stochastic electron acceleration. We find that (1) the acceleration efficiency needs to be at least 10 times higher than that through the cyclotron resonances, implying much more efficient acceleration through the transit-time damping process, and (2) the distribution of the accelerated electrons is very sensitive to the ratio of the speed in the downstream to the shock suggesting a dynamo process that can regulate the magnetic field in such a way that the electron distribution doesn't change dramatically throughout the evolution history of the shock waves.

  3. New progress of ITER-PF strand production in WST

    NASA Astrophysics Data System (ADS)

    Li, J. F.; Liu, W. T.; Yan, L. X.; H, J.; Gao, H. X.; Liu, J. W.; Du, S. J.; Liu, X. H.; Feng, Y.; Zhang, P. X.; Liu, S.; Li, H. W.; Niu, E. W.

    2014-05-01

    ITER Poloidal Field (PF) systems consist of 6 independent coils with different dimensions and require NbTi superconductor and copper strands. Western Superconducting Technologies Co.,Ltd.(WST) will supply PF2-5 NbTi strand for ITER, and over 14,000 km of NbTi strands have been produced in the past two years. Main performance of NbTi strands, including critical current, n value, wire diameter, Cu/non-Cu ratio, hysteresis loss and RRR are reported and analysed in this paper.

  4. Characterisation of the Plasmodium falciparum Hsp70-Hsp90 organising protein (PfHop).

    PubMed

    Gitau, Grace W; Mandal, Pradipta; Blatch, Gregory L; Przyborski, Jude; Shonhai, Addmore

    2012-03-01

    Malaria is caused by Plasmodium species, whose transmission to vertebrate hosts is facilitated by mosquito vectors. The transition from the cold blooded mosquito vector to the host represents physiological stress to the parasite, and additionally malaria blood stage infection is characterised by intense fever periods. In recent years, it has become clear that heat shock proteins play an essential role during the parasite's life cycle. Plasmodium falciparum expresses two prominent heat shock proteins: heat shock protein 70 (PfHsp70) and heat shock protein 90 (PfHsp90). Both of these proteins have been implicated in the development and pathogenesis of malaria. In eukaryotes, Hsp70 and Hsp90 proteins are functionally linked by an essential adaptor protein known as the Hsp70-Hsp90 organising protein (Hop). In this study, recombinant P. falciparum Hop (PfHop) was heterologously produced in E. coli and purified by nickel affinity chromatography. Using specific anti-PfHop antisera, the expression and localisation of PfHop in P. falciparum was investigated. PfHop was shown to co-localise with PfHsp70 and PfHsp90 in parasites at the trophozoite stage. Gel filtration and co-immunoprecipitation experiments suggested that PfHop was present in a complex together with PfHsp70 and PfHsp90. The association of PfHop with both PfHsp70 and PfHsp90 suggests that this protein may mediate the functional interaction between the two chaperones.

  5. Vibration of Shells

    NASA Technical Reports Server (NTRS)

    Leissa, A. W.

    1973-01-01

    The vibrational characteristics and mechanical properties of shell structures are discussed. The subjects presented are: (1) fundamental equations of thin shell theory, (2) characteristics of thin circular cylindrical shells, (3) complicating effects in circular cylindrical shells, (4) noncircular cylindrical shell properties, (5) characteristics of spherical shells, and (6) solution of three-dimensional equations of motion for cylinders.

  6. Stability of proton-rich nuclei in the upper {ital sd} shell and lower {ital pf} shell

    SciTech Connect

    Cole, B.J.

    1996-09-01

    The decay properties of proton-rich nuclei with {ital Z}=19{endash}30 are investigated using measured binding energies of the analog neutron-rich nuclei and Coulomb energy shifts deduced from a parametrization of measured Coulomb displacement energies. Predicted binding energies and separation energies are compared where possible with previous calculations; in most cases the calculations agree within the quoted uncertainties. The positions of the one-proton and diproton drip lines are determined from the calculated separation energies. It is suggested that good candidates for the observation of correlated two-proton emission are {sup 34}Ca, {sup 38,39}Ti, {sup 45}Fe, {sup 48}Ni, and {sup 54}Zn. {copyright} {ital 1996 The American Physical Society.}

  7. Rhizoxin analogs, orfamide A and chitinase production contribute to the toxicity of Pseudomonas protegens strain Pf-5 to Drosophila melanogaster

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Pseudomonas protegens strain Pf-5 is a soil bacterium that was first described for its activity in biological control of plant diseases and has since been shown to be lethal to certain insects. Among these is the fruit fly Drosophila melanogaster, a well-established model organism for studies evalu...

  8. DOUBLE SHELL TANK (DST) HYDROXIDE DEPLETION MODEL FOR CARBON DIOXIDE ABSORPTION

    SciTech Connect

    OGDEN DM; KIRCH NW

    2007-10-31

    This document generates a supernatant hydroxide ion depletion model based on mechanistic principles. The carbon dioxide absorption mechanistic model is developed in this report. The report also benchmarks the model against historical tank supernatant hydroxide data and vapor space carbon dioxide data. A comparison of the newly generated mechanistic model with previously applied empirical hydroxide depletion equations is also performed.

  9. Neutron-Rich {sup 62,64,64}Fe Show Enhanced Collectivity: The Washout of N = 40 in Terms of Experiment, Valence Proton Symmetry and Shell Model

    SciTech Connect

    Rother, W.; Dewald, A.; Fransen, C.; Hackstein, M.; Jolie, J.; Pissulla, Th.; Zel, K.-O.; Iwasaki, H.; Baugher, T.; Brown, B. A.; Gade, A.; Glasmacher, T.; McDaniel, S.; Ratkiewicz, A.; Voss, P.; Walsh, K. A.; Lenzi, S. M.; Ur, C. A.; Starosta, K.; Bazin, D.

    2011-10-28

    Probing shell structure at a large neutron excess has been of particular interest in recent times. Neutron-rich nuclei between the proton shell closures Z = 20 and Z = 28 offer an exotic testing ground for shell evolution. The development of the N = 40gap between neutron fp and lg{sub 9/2} shells gives rise to highly interesting variations of collectivity for nuclei in this region. While {sup 68}Ni shows doubly magic properties in level energies and transition strengths, this was not observed in neighbouring nuclei. Especially neutron-rich Fe isotopes proved particularly resistant to calculational approaches using the canonical valence space (fpg) resulting in important deviations of the predicted collectivity. Only an inclusion of the d{sub 5/2}-orbital could solve the problem [1]. Hitherto no transition strengths for {sup 66}Fe have been reported. We determined B(E2,2{sup +}{sub 1}{yields}0{sup +}{sub 1}) values from lifetimes measured with the recoil distance Doppler-shift method using the Cologne plunger for radioactive beams at National Superconducting Cyclotron Laboratory at Michigan State University. Excited states were populated by projectile Coulomb excitation for {sup 62,64,66}Fe. The data show a rise in collectivity for Fe isotopes towards N = 40. Results [2] are interpreted by means of a modified version of the Valence Proton Symmetry [3] and compared to shell model calculations using a new effective interaction recently developed for the fpgd valence space [4].

  10. Modeling W44 as a Supernova Remnant in a Density Gradient with a Partially Formed Dense Shell and Thermal Conduction in the Hot Interior. I. The Analytical Model

    NASA Astrophysics Data System (ADS)

    Cox, Donald P.; Shelton, R. L.; Maciejewski, Witold; Smith, Randall K.; Plewa, Tomasz; Pawl, Andrew; Różyczka, Michał

    1999-10-01

    We show that many observations of W44, a supernova remnant in the Galactic plane at a distance of about 2500 pc, are remarkably consistent with the simplest realistic model. The model remnant is evolving in a smooth ambient medium of fairly high density, about 6 cm-3 on average, with a substantial density gradient. At the observed time it has an age of about 20,000 yr, consistent with the age of the associated pulsar, and a radius of 11-13 pc. Over most of the outer surface, radiative cooling has become important in the postshock gas; on the denser end there has been sufficient compression of the cooled gas to develop a very thin dense half-shell of about 450 Msolar, supported against further compression by nonthermal pressure. The half-shell has an expansion velocity of about 150 km s-1 and is bounded on the outer surface by a radiative shock with that speed. The deep interior of the remnant has a substantial and fairly uniform pressure, as expected from even highly idealized adiabatic models; our model, however, is never adiabatic. Thermal conduction, while the remnant is young and hot, reduces the need for expansion cooling and prevents formation of the intensely vacuous cavity characteristic of adiabatic evolution. It radically alters the interior structure from what one might expect from familiarity with the Sedov solution. At the time of observation, the temperature in the center is about 6×106 K, the density about 1 cm-3. The temperature decreases gradually away from the center, while the density rises. Farther out, where cooling is becoming important, the pressure drops precipitously, and the temperature in the denser gas there is quite low. We provide several analytic tools for the assembly of models of this type. We review the early evolution and shell formation analyses and their generalizations to evolution in a density gradient. We also calculate the density and temperature that should be present in the hot interior of a remnant with thermal

  11. Predicting the Arrival Time of Coronal Mass Ejections with the Graduated Cylindrical Shell and Drag Force Model

    NASA Astrophysics Data System (ADS)

    Shi, Tong; Wang, Yikang; Wan, Linfeng; Cheng, Xin; Ding, Mingde; Zhang, Jie

    2015-06-01

    Accurately predicting the arrival of coronal mass ejections (CMEs) to the Earth based on remote images is of critical significance for the study of space weather. In this paper, we make a statistical study of 21 Earth-directed CMEs, specifically exploring the relationship between CME initial speeds and transit times. The initial speed of a CME is obtained by fitting the CME with the Graduated Cylindrical Shell model and is thus free of projection effects. We then use the drag force model to fit results of the transit time versus the initial speed. By adopting different drag regimes, i.e., the viscous, aerodynamics, and hybrid regimes, we get similar results, with a least mean estimation error of the hybrid model of 12.9 hr. CMEs with a propagation angle (the angle between the propagation direction and the Sun-Earth line) larger than their half-angular widths arrive at the Earth with an angular deviation caused by factors other than the radial solar wind drag. The drag force model cannot be reliably applied to such events. If we exclude these events in the sample, the prediction accuracy can be improved, i.e., the estimation error reduces to 6.8 hr. This work suggests that it is viable to predict the arrival time of CMEs to the Earth based on the initial parameters with fairly good accuracy. Thus, it provides a method of forecasting space weather 1-5 days following the occurrence of CMEs.

  12. Predicting the Arrival Time of Coronal Mass Ejections with the Graduated Cylindrical Shell and Drag Force Model

    NASA Astrophysics Data System (ADS)

    Shi, Tong; Wang, Yikang; Wan, Linfeng; Cheng, Xin; Ding, Mingde; Zhang, Jie

    2015-06-01

    Accurately predicting the arrival of coronal mass ejections (CMEs) to the Earth based on remote images is of critical significance for the study of space weather. In this paper, we make a statistical study of 21 Earth-directed CMEs, specifically exploring the relationship between CME initial speeds and transit times. The initial speed of a CME is obtained by fitting the CME with the Graduated Cylindrical Shell model and is thus free of projection effects. We then use the drag force model to fit results of the transit time versus the initial speed. By adopting different drag regimes, i.e., the viscous, aerodynamics, and hybrid regimes, we get similar results, with a least mean estimation error of the hybrid model of 12.9 hr. CMEs with a propagation angle (the angle between the propagation direction and the Sun–Earth line) larger than their half-angular widths arrive at the Earth with an angular deviation caused by factors other than the radial solar wind drag. The drag force model cannot be reliably applied to such events. If we exclude these events in the sample, the prediction accuracy can be improved, i.e., the estimation error reduces to 6.8 hr. This work suggests that it is viable to predict the arrival time of CMEs to the Earth based on the initial parameters with fairly good accuracy. Thus, it provides a method of forecasting space weather 1–5 days following the occurrence of CMEs.

  13. Anti-symmetric spin-orbit force in the effective interaction for the shell model and its effect on nuclear structure

    SciTech Connect

    Tsunoda, N.; Shimizu, N.; Otsuka, T.; Suzuki, T.

    2011-05-06

    Anti-symmetric spin-orbit force (ALS) in the effective interaction for the shell model and its effect on nuclear structure is discussed. We investigate possible origins of the ALS and the effects on the level schemes of several nuclei.

  14. Ectopic expression of pepper CaPF1 in potato enhances multiple stresses tolerance and delays initiation of in vitro tuberization.

    PubMed

    Youm, Jung Won; Jeon, Jae Heung; Choi, Doil; Yi, So Young; Joung, Hyouk; Kim, Hyun Soon

    2008-09-01

    Ethylene-responsive factors (ERFs) are plant-specific transcription factors, many of which have been linked to plant defense responses. However, little is known about the functional significance of ERF genes in potato plants compared to the model plant species Arabidopsis. We show here that overexpression of CaPF1, an ERF/AP2-type pepper transcription factor gene, effectively increased tolerance to freezing, heat, heavy metal, and oxidative stress in potatoes. Interestingly, CaPF1 was involved in tuber formation in potato plants. The time course of microtuber formation was significantly retarded in potato plants that overexpressed CaPF1 compared with wild-type potato plants. Overall, the results of the present study indicate that the pepper transcription factor gene, CaPF1, is involved in promotion of multiple stress tolerance and retardation of in vitro tuberization in potato plants. PMID:18642026

  15. Prawn Shell Chitosan Has Anti-Obesogenic Properties, Influencing Both Nutrient Digestibility and Microbial Populations in a Pig Model.

    PubMed

    Egan, Áine M; Sweeney, Torres; Hayes, Maria; O'Doherty, John V

    2015-01-01

    The potential of natural products to prevent obesity have been investigated, with evidence to suggest that chitosan has anti-obesity effects. The current experiment investigated the anti-obesity potential of prawn shell derived chitosan on a range of variables relevant to obesity in a pig model. The two dietary treatment groups included in this 63 day study were: T1) basal diet and T2) basal diet plus 1000 ppm chitosan (n = 20 gilts per group (70 ± 0.90 kg). The parameter categories which were assessed included: performance, nutrient digestibility, serum leptin concentrations, nutrient transporter and digestive enzyme gene expression and gut microbial populations. Pigs offered chitosan had reduced feed intake and final body weight (P< 0.001), lower ileal digestibility of dry matter (DM), gross energy (GE) (P< 0.05) and reduced coefficient of apparent total tract digestibility (CATTD) of gross energy and nitrogen (P<0.05) when compared to the basal group. Fatty acid binding protein 2 (FABP2) gene expression was down-regulated in pigs offered chitosan (P = 0.05) relative to the basal diet. Serum leptin concentrations increased (P< 0.05) in animals offered the chitosan diet compared to pigs offered the basal diet. Fatness traits, back-fat depth (mm), fat content (kg), were significantly reduced while lean meat (%) was increased (P<0.05) in chitosan supplemented pigs. Pigs offered chitosan had decreased numbers of Firmicutes in the colon (P <0.05), and Lactobacillus spp. in both the caecum (P <0.05) and colon (P <0.001). Bifidobacteria populations were increased in the caecum of animals offered the chitosan diet (P <0.05). In conclusion, these findings suggest that prawn shell chitosan has potent anti-obesity/body weight control effects which are mediated through multiple biological systems in vivo.

  16. Prawn Shell Chitosan Has Anti-Obesogenic Properties, Influencing Both Nutrient Digestibility and Microbial Populations in a Pig Model

    PubMed Central

    Egan, Áine M.; Sweeney, Torres; Hayes, Maria; O’Doherty, John V.

    2015-01-01

    The potential of natural products to prevent obesity have been investigated, with evidence to suggest that chitosan has anti-obesity effects. The current experiment investigated the anti-obesity potential of prawn shell derived chitosan on a range of variables relevant to obesity in a pig model. The two dietary treatment groups included in this 63 day study were: T1) basal diet and T2) basal diet plus 1000 ppm chitosan (n = 20 gilts per group (70 ± 0.90 kg). The parameter categories which were assessed included: performance, nutrient digestibility, serum leptin concentrations, nutrient transporter and digestive enzyme gene expression and gut microbial populations. Pigs offered chitosan had reduced feed intake and final body weight (P< 0.001), lower ileal digestibility of dry matter (DM), gross energy (GE) (P< 0.05) and reduced coefficient of apparent total tract digestibility (CATTD) of gross energy and nitrogen (P<0.05) when compared to the basal group. Fatty acid binding protein 2 (FABP2) gene expression was down-regulated in pigs offered chitosan (P = 0.05) relative to the basal diet. Serum leptin concentrations increased (P< 0.05) in animals offered the chitosan diet compared to pigs offered the basal diet. Fatness traits, back-fat depth (mm), fat content (kg), were significantly reduced while lean meat (%) was increased (P<0.05) in chitosan supplemented pigs. Pigs offered chitosan had decreased numbers of Firmicutes in the colon (P <0.05), and Lactobacillus spp. in both the caecum (P <0.05) and colon (P <0.001). Bifidobacteria populations were increased in the caecum of animals offered the chitosan diet (P <0.05). In conclusion, these findings suggest that prawn shell chitosan has potent anti-obesity/body weight control effects which are mediated through multiple biological systems in vivo. PMID:26636332

  17. Prawn Shell Chitosan Has Anti-Obesogenic Properties, Influencing Both Nutrient Digestibility and Microbial Populations in a Pig Model.

    PubMed

    Egan, Áine M; Sweeney, Torres; Hayes, Maria; O'Doherty, John V

    2015-01-01

    The potential of natural products to prevent obesity have been investigated, with evidence to suggest that chitosan has anti-obesity effects. The current experiment investigated the anti-obesity potential of prawn shell derived chitosan on a range of variables relevant to obesity in a pig model. The two dietary treatment groups included in this 63 day study were: T1) basal diet and T2) basal diet plus 1000 ppm chitosan (n = 20 gilts per group (70 ± 0.90 kg). The parameter categories which were assessed included: performance, nutrient digestibility, serum leptin concentrations, nutrient transporter and digestive enzyme gene expression and gut microbial populations. Pigs offered chitosan had reduced feed intake and final body weight (P< 0.001), lower ileal digestibility of dry matter (DM), gross energy (GE) (P< 0.05) and reduced coefficient of apparent total tract digestibility (CATTD) of gross energy and nitrogen (P<0.05) when compared to the basal group. Fatty acid binding protein 2 (FABP2) gene expression was down-regulated in pigs offered chitosan (P = 0.05) relative to the basal diet. Serum leptin concentrations increased (P< 0.05) in animals offered the chitosan diet compared to pigs offered the basal diet. Fatness traits, back-fat depth (mm), fat content (kg), were significantly reduced while lean meat (%) was increased (P<0.05) in chitosan supplemented pigs. Pigs offered chitosan had decreased numbers of Firmicutes in the colon (P <0.05), and Lactobacillus spp. in both the caecum (P <0.05) and colon (P <0.001). Bifidobacteria populations were increased in the caecum of animals offered the chitosan diet (P <0.05). In conclusion, these findings suggest that prawn shell chitosan has potent anti-obesity/body weight control effects which are mediated through multiple biological systems in vivo. PMID:26636332

  18. Shell worlds

    NASA Astrophysics Data System (ADS)

    Roy, Kenneth I.; Kennedy, Robert G., III; Fields, David E.

    2013-02-01

    The traditional concept of terraforming assumes ready availability of candidate planets with acceptable qualities: orbiting a star in its "Goldilocks zone", liquid water, enough mass, years longer than days, magnetic field, etc. But even stipulating affordable interstellar travel, we still might never find a good candidate elsewhere. Whatever we found likely would require centuries of heavy terraforming, just as Mars or Venus would here. Our increasing appreciation of the ubiquity of life suggests that any terra nova would already possess it. We would then face the dilemma of introducing alien life forms (us, our microbes) into another living world. Instead, we propose a novel method to create habitable environments for humanity by enclosing airless, sterile, otherwise useless planets, moons, and even large asteroids within engineered shells, which avoids the conundrum. These shells are subject to two opposing internal stresses: compression due to the primary's gravity, and tension from atmospheric pressure contained inside. By careful design, these two cancel each other resulting in zero net shell stress. Beneath the shell an Earth-like environment could be created similar in almost all respects to that of Home, except for gravity, regardless of the distance to the sun or other star. Englobing a small planet, moon, or even a dwarf planet like Ceres, would require astronomical amounts of material (quadrillions of tons) and energy, plus a great deal of time. It would be a quantum leap in difficulty over building Dyson Dots or industrializing our solar system, perhaps comparable to a mission across interstellar space with a living crew within their lifetime. But when accomplished, these constructs would be complete (albeit small) worlds, not merely large habitats. They could be stable across historic timescales, possibly geologic. Each would contain a full, self-sustaining ecology, which might evolve in curious directions over time. This has interesting implications

  19. Refinement of Modeling Techniques for the Structural Evaluation of Hanford Single-Shell Nuclear Waste Storage Tanks

    SciTech Connect

    Karri, Naveen K.; Rinker, Michael W.; Johnson, Kenneth I.; Bapanapalli, Satish K.

    2012-11-10

    ABSTRACT Several tanks at the Hanford Site (in Washington State, USA) belong to the first generation of underground nuclear waste storage tanks known as single shell tanks (SSTs). These tanks were constructed between 1943 and 1964 and are well beyond their design life. This article discusses the structural analysis approach and modeling challenges encountered during the ongoing analysis of record (AOR) for evaluating the structural integrity of the SSTs. 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 of these tanks for proper estimation of creep strains and thermal degradation of material properties. The loads prescribed in the AOR models also include anticipated loads that these tanks may see during waste retrieval and closure. Due to uncertainty in a number of inputs to the models, sensitivity studies were conducted to address questions related to the boundary conditions to 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 AOR 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 SSTs. The modeling techniques, methodology and evaluation criteria developed for

  20. A comparison of no-slip, stress-free and inviscid models of rapidly rotating fluid in a spherical shell

    PubMed Central

    Livermore, Philip W.; Bailey, Lewis M.; Hollerbach, Rainer

    2016-01-01

    We investigate how the choice of either no-slip or stress-free boundary conditions affects numerical models of rapidly rotating flow in Earth’s core by computing solutions of the weakly-viscous magnetostrophic equations within a spherical shell, driven by a prescribed body force. For non-axisymmetric solutions, we show that models with either choice of boundary condition have thin boundary layers of depth E1/2, where E is the Ekman number, and a free-stream flow that converges to the formally inviscid solution. At Earth-like values of viscosity, the boundary layer thickness is approximately 1 m, for either choice of condition. In contrast, the axisymmetric flows depend crucially on the choice of boundary condition, in both their structure and magnitude (either E−1/2 or E−1). These very large zonal flows arise from requiring viscosity to balance residual axisymmetric torques. We demonstrate that switching the mechanical boundary conditions can cause a distinct change of structure of the flow, including a sign-change close to the equator, even at asymptotically low viscosity. Thus implementation of stress-free boundary conditions, compared with no-slip conditions, may yield qualitatively different dynamics in weakly-viscous magnetostrophic models of Earth’s core. We further show that convergence of the free-stream flow to its asymptotic structure requires E ≤ 10−5. PMID:26980289

  1. Analytical Modeling for Mechanical Strength Prediction with Raman Spectroscopy and Fractured Surface Morphology of Novel Coconut Shell Powder Reinforced: Epoxy Composites

    NASA Astrophysics Data System (ADS)

    Singh, Savita; Singh, Alok; Sharma, Sudhir Kumar

    2016-06-01

    In this paper, an analytical modeling and prediction of tensile and flexural strength of three dimensional micro-scaled novel coconut shell powder (CSP) reinforced epoxy polymer composites have been reported. The novel CSP has a specific mixing ratio of different coconut shell particle size. A comparison is made between obtained experimental strength and modified Guth model. The result shows a strong evidence for non-validation of modified Guth model for strength prediction. Consequently, a constitutive modeled equation named Singh model has been developed to predict the tensile and flexural strength of this novel CSP reinforced epoxy composite. Moreover, high resolution Raman spectrum shows that 40 % CSP reinforced epoxy composite has high dielectric constant to become an alternative material for capacitance whereas fractured surface morphology revealed that a strong bonding between novel CSP and epoxy polymer for the application as light weight composite materials in engineering.

  2. High-lying, non-yrast shell structure in {sup 52}Ti.

    SciTech Connect

    Zhu, S.; Janssens, R. V. F.; Fornal, B.; Freeman, S. J.; Honma, M.; Broda, R.; Carpenter, M. P.; Deacon, A. N.; Jackson, E.; Kay, B. P.; Lauritsen, T.; Lister, C. J.; Mantica, P. F.; Otsuka, T.; Seweryniak, D.; Smith, J. F.; Steppenbeck, D.; Wang, X.; Physics; Polish Academy of Sciences; Univ. of Manchester; Univ. of Aizu; Michigan State Univ.; Univ. of Tokyo; RIKEN; Univ. of Notre Dame

    2009-01-01

    Gamma rays from {sup 52}Ti have been studied with Gammasphere and the Fragment Mass Analyzer using reactions induced by a {sup 48}Ca beam on a {sup 9}Be target. The data have been used in combination with information from deep-inelastic reactions of {sup 48}Ca beams on a thick {sup 238}U target at an energy about 25% above the Coulomb barrier. The {sup 52}Ti level scheme was expanded considerably, and the lifetimes of some of the identified states were determined for the first time. The excitation of two protons and two neutrons outside the {sup 48}Ca core provide new tests of effective interactions in the full pf-shell model space. The positive-parity states in {sup 52}Ti were compared to theoretical predictions obtained with the GXPF1A, FPD6, and KB3G effective interactions. The comparisons favor, to a degree, the results computed with the GXPF1A interaction.

  3. Modelling the structure and kinematics of the Firework nebula: The nature of the GK Persei nova shell and its jet-like feature

    NASA Astrophysics Data System (ADS)

    Harvey, E.; Redman, M. P.; Boumis, P.; Akras, S.

    2016-10-01

    Aims: The shaping mechanisms of old nova remnants are probes for several important and unexplained processes, such as dust formation and the structure of evolved star nebulae. To gain a more complete understanding of the dynamics of the GK Per (1901) remnant, an examination of symmetry of the nova shell is explored, followed by a kinematical analysis of the previously detected jet-like feature in the context of the surrounding fossil planetary nebula. Methods: Faint-object high-resolution echelle spectroscopic observations and imaging were undertaken covering the knots which comprise the nova shell and the surrounding nebulosity. New imaging from the Aristarchos telescope in Greece and long-slit spectra from the Manchester Echelle Spectrometer instrument at the San Pedro Mártir observatory in Mexico were obtained, supplemented with archival observations from several other optical telescopes. Position-velocity arrays are produced of the shell, and also individual knots, and are then used for morpho-kinematic modelling with the shape code. The overall structure of the old knotty nova shell of GK Per and the planetary nebula in which it is embedded is then analysed. Results: Evidence is found for the interaction of knots with each other and with a wind component, most likely the periodic fast wind emanating from the central binary system. We find that a cylindrical shell with a lower velocity polar structure gives the best model fit to the spectroscopy and imaging. We show in this work that the previously seen jet-like feature is of low velocity. Conclusions: The individual knots have irregular tail shapes; we propose here that they emanate from episodic winds from ongoing dwarf nova outbursts by the central system. The nova shell is cylindrical, not spherical, and the symmetry axis relates to the inclination of the central binary system. Furthermore, the cylinder axis is aligned with the long axis of the bipolar planetary nebula in which it is embedded. Thus, the

  4. PfCRT and PfMDR1 modulate interactions of artemisinin derivatives and ion channel blockers

    PubMed Central

    Eastman, Richard T.; Khine, Pwint; Huang, Ruili; Thomas, Craig J.; Su, Xin-zhuan

    2016-01-01

    Treatment of the symptomatic asexual stage of Plasmodium falciparum relies almost exclusively on artemisinin (ART) combination therapies (ACTs) in endemic regions. ACTs combine ART or its derivative with a long-acting partner drug to maximize efficacy during the typical three-day regimen. Both laboratory and clinical studies have previously demonstrated that the common drug resistance determinants P. falciparum chloroquine resistance transporter (PfCRT) and multidrug resistance transporter (PfMDR1) can modulate the susceptibility to many current antimalarial drugs and chemical compounds. Here we investigated the parasite responses to dihydroartemisinin (DHA) and various Ca2+ and Na+ channel blockers and showed positively correlated responses between DHA and several channel blockers, suggesting potential shared transport pathways or mode of action. Additionally, we demonstrated that PfCRT and PfMDR1 could also significantly modulate the pharmacodynamic interactions of the compounds and that the interactions were influenced by the parasite genetic backgrounds. These results provide important information for better understanding of drug resistance and for assessing the overall impact of drug resistance markers on parasite response to ACTs. PMID:27147113

  5. Viscous relaxation of a compressible spherical shell. [as a model of earth mantle

    NASA Technical Reports Server (NTRS)

    Li, Guoying; Yuen, David A.

    1987-01-01

    Analytical solutions for analyzing viscous relaxation of a compressible mantle to surface loading are developed. Two different models are considered: one in which the density step of the core-mantle boundary is held fixed and the other in which the mass of the earth remains invariant with respect to variations of equation of state parameters. For thermodynamic parameters characteristic of the mantle, relaxation times of the fundamental and first overtone modes change by no more than about 30 percent for degree less than four. For a given initial depression, the ratio between the velocity in the lower mantle and that at the surface is bigger for incompressible models than for compressible models. Eigenfunctions between the two models also differ in appearance throughout the mantle, with the incompressible ones being larger for the second model. These results would suggest that the resolution of mantle viscosity may be impaired by the smaller excitation in the lower mantle due to effects of mantle compressibility.

  6. Adsorption of cesium from aqueous solution using agricultural residue--walnut shell: equilibrium, kinetic and thermodynamic modeling studies.

    PubMed

    Ding, Dahu; Zhao, Yingxin; Yang, Shengjiong; Shi, Wansheng; Zhang, Zhenya; Lei, Zhongfang; Yang, Yingnan

    2013-05-01

    A novel biosorbent derived from agricultural residue - walnut shell (WS) is reported to remove cesium from aqueous solution. Nickel hexacyanoferrate (NiHCF) was incorporated into this biosorbent, serving as a high selectivity trap agent for cesium. Field emission scanning electron microscope (FE-SEM) and thermogravimetric and differential thermal analysis (TG-DTA) were utilized for the evaluation of the developed biosorbent. Determination of kinetic parameters for adsorption was carried out using pseudo first-order, pseudo second-order kinetic models and intra-particle diffusion models. Adsorption equilibrium was examined using Langmuir, Freundlich and Dubinin-Radushkevich adsorption isotherms. A satisfactory correlation coefficient and relatively low chi-square analysis parameter χ(2) between the experimental and predicted values of the Freundlich isotherm demonstrate that cesium adsorption by NiHCF-WS is a multilayer chemical adsorption. Thermodynamic studies were conducted under different reaction temperatures and results indicate that cesium adsorption by NiHCF-WS is an endothermic (ΔH° > 0) and spontaneous (ΔG° < 0) process.

  7. 7Be(p,(gamma))8B S-factor from Ab Initio No-Core Shell Model Wave Functions

    SciTech Connect

    Navratil, P; Bertulani, C A; Caurier, E

    2005-12-02

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

  8. MARMOSET: The Path from LHC Data to the New Standard Model via On-Shell Effective Theories

    SciTech Connect

    Arkani-Hamed, Nima; Schuster, Philip; Toro, Natalia; Thaler, Jesse; Wang, Lian-Tao; Knuteson, Bruce; Mrenna, Stephen; /Fermilab

    2007-03-01

    We describe a coherent strategy and set of tools for reconstructing the fundamental theory of the TeV scale from LHC data. We show that On-Shell Effective Theories (OSETs) effectively characterize hadron collider data in terms of masses, production cross sections, and decay modes of candidate new particles. An OSET description of the data strongly constrains the underlying new physics, and sharply motivates the construction of its Lagrangian. Simulating OSETs allows efficient analysis of new-physics signals, especially when they arise from complicated production and decay topologies. To this end, we present MARMOSET, a Monte Carlo tool for simulating the OSET version of essentially any new-physics model. MARMOSET enables rapid testing of theoretical hypotheses suggested by both data and model-building intuition, which together chart a path to the underlying theory. We illustrate this process by working through a number of data challenges, where the most important features of TeV-scale physics are reconstructed with as little as 5 fb{sup -1} of simulated LHC signals.

  9. Glass shell manufacturing in space

    NASA Technical Reports Server (NTRS)

    Downs, R. L.; Ebner, M. A.; Nolen, R. L., Jr.

    1981-01-01

    Highly-uniform, hollow glass spheres (shells), which are used for inertial confinement fusion targets, were formed from metal-organic gel powder feedstock in a vertical furnace. As a result of the rapid pyrolysis caused by the furnace, the gel is transformed to a shell in five distinct stages: (a) surface closure of the porous gel; (b) generation of a closed-cell foam structure in the gel; (c) spheridization of the gel and further expansion of the foam; (d) coalescence of the closed-cell foam to a single-void shell; and (e) fining of the glass shell. The heat transfer from the furnace to the falling gel particle was modeled to determine the effective heating rate of the gel. The model predicts the temperature history for a particle as a function of mass, dimensions, specific heat, and absorptance as well as furnace temperature profile and thermal conductivity of the furnace gas. A model was developed that predicts the gravity-induced degradation of shell concentricity in falling molten shells as a function of shell characteristics and time.

  10. Ferric-pyoverdine recognition by Fpv outer-membrane proteins of Pseudomonas protegens Pf-5

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The soil bacterium Pseudomonas protegens Pf-5 (previously called P. fluorescens Pf-5) produces two siderophores, enantio-pyochelin and a compound in the large and diverse pyoverdine family. Using high-resolution mass spectroscopy, we determined the structure of the pyoverdine produced by Pf-5. In ad...

  11. Magnetic resonance spectroscopy of the primary state, PF, of bacterial photosynthesis

    PubMed Central

    Bowman, M. K.; Budil, D. E.; Closs, G. L.; Kostka, A. G.; Wraight, C. A.; Norris, J. R.

    1981-01-01

    We have obtained the magnetic resonance spectrum of the radical pair state PF by using reaction yield detected magnetic resonance spectroscopy. The magnetic resonance spectrum is quite sensitive to the local environment of PF. The data place limits on the lifetime of triplet PF and the distance of charge separation. PMID:16593028

  12. 2.5D global-disk oscillation models of the Be shell star ζ Tauri. I. Spectroscopic and polarimetric analysis

    NASA Astrophysics Data System (ADS)

    Escolano, C.; Carciofi, A. C.; Okazaki, A. T.; Rivinius, T.; Baade, D.; Štefl, S.

    2015-04-01

    Context. A large number of Be stars exhibit intensity variations of their violet and red emission peaks in their H i lines observed in emission. This is the so-called V/R phenomenon, usually explained by the precession of a one-armed spiral density perturbation in the circumstellar disk. That global-disk oscillation scenario was confirmed, both observationally and theoretically, in the previous series of two papers analyzing the Be shell star ζ Tauri. The vertically averaged (2D) global-disk oscillation model used at the time was able to reproduce the V/R variations observed in Hα, as well as the spatially resolved interferometric data from AMBER/VLTI. Unfortunately, that model failed to reproduce the V/R phase of Br15 and the amplitude of the polarization variation, suggesting that the inner disk structure predicted by the model was incorrect. Aims: The first aim of the present paper is to quantify the temporal variations of the shell-line characteristics of ζ Tauri. The second aim is to better understand the physics underlying the V/R phenomenon by modeling the shell-line variations together with the V/R and polarimetric variations. The third aim is to test a new 2.5D disk oscillation model, which solves the set of equations that describe the 3D perturbed disk structure but keeps only the equatorial (i.e., 2D) component of the solution. This approximation was adopted to allow comparisons with the previous 2D model, and as a first step toward a future 3D model. Methods: We carried out an extensive analysis of ζ Tauri's spectroscopic variations by measuring various quantities characterizing its Balmer line profiles: red and violet emission peak intensities (for Hα, Hβ, and Br15), depth and asymmetry of the shell absorption (for Hβ, Hγ, and Hδ), and the respective position (i.e., radial velocity) of each component. We attempted to model the observed variations by implementing in the radiative transfer code HDUST the perturbed disk structure computed with a

  13. The innate immune response, clinical outcomes, and ex vivo HCV antiviral efficacy of a TLR7 agonist (PF-4878691).

    PubMed

    Fidock, M D; Souberbielle, B E; Laxton, C; Rawal, J; Delpuech-Adams, O; Corey, T P; Colman, P; Kumar, V; Cheng, J B; Wright, K; Srinivasan, S; Rana, K; Craig, C; Horscroft, N; Perros, M; Westby, M; Webster, R; van der Ryst, E

    2011-06-01

    Hepatitis C virus (HCV) infection is an issue of global concern, and studies are ongoing to identify new therapies that are both effective and safe. PF-4878691 is a Toll-like receptor 7 (TLR7) agonist modeled so as to dissociate its antiviral activities from its inflammatory activities. In a proof-of-mechanism study in healthy volunteers who received doses of 3, 6, and 9 mg of PF-4878691 twice a week for 2 weeks, PF-4878691 induced biomarkers of the immune and interferon (IFN) responses in a dose-dependent and dose-frequency-related manner. A novel finding was induction of TLR7 expression in vivo in response to PF-4878691, leading to an amplified biomarker response. A nonresponder at the 9-mg dose had a polymorphism in the IFN-α receptor 1 subunit (Val168Leu). Two subjects who had received 9-mg doses experienced serious adverse events (SAEs), characterized by flu-like symptoms, hypotension, and lymphopenia, leading to early termination of the study. TLR7 stimulation results in a pharmacologic response at levels commensurate with predicted antiviral efficacy, but these doses are associated with SAEs, raising concerns about the therapeutic window of this class of compounds for the treatment of HCV infection. PMID:21451504

  14. Redefining the PF06864 Pfam Family Based on Burkholderia pseudomallei PilO2Bp S-SAD Crystal Structure

    PubMed Central

    Manjasetty, Babu A.; Yero, Daniel; Perletti, Lucia; Belrhali, Hassan; Daura, Xavier; Gourlay, Louise J.; Bolognesi, Martino

    2014-01-01

    Type IV pili are surface-exposed filaments and bacterial virulence factors, represented by the Tfpa and Tfpb types, which assemble via specific machineries. The Tfpb group is further divided into seven variants, linked to heterogeneity in the assembly machineries. Here we focus on PilO2Bp, a protein component of the Tfpb R64 thin pilus variant assembly machinery from the pathogen Burkholderia pseudomallei. PilO2Bp belongs to the PF06864 Pfam family, for which an improved definition is presented based on newly derived Hidden Markov Model (HMM) profiles. The 3D structure of the N-terminal domain of PilO2Bp (N-PilO2Bp), here reported, is the first structural representative of the PF06864 family. N-PilO2Bp presents an actin-like ATPase fold that is shown to be present in BfpC, a different variant assembly protein; the new HMM profiles classify BfpC as a PF06864 member. Our results provide structural insight into the PF06864 family and on the Type IV pili assembly machinery. PMID:24728008

  15. Effects of self-consistency and plasmon-pole models on GW calculations for closed-shell molecules

    NASA Astrophysics Data System (ADS)

    Lischner, Johannes; Sharifzadeh, Sahar; Deslippe, Jack; Neaton, Jeffrey B.; Louie, Steven G.

    2014-09-01

    We present theoretical calculations of quasiparticle energies in closed-shell molecules using the GW method. We compare three different approaches: a full-frequency G0W0 (FF-G0W0) method with density functional theory (DFT-PBE) used as a starting mean field; a full-frequency GW0 (FF-GW0) method where the interacting Green's function is approximated by replacing the DFT energies with self-consistent quasiparticle energies or Hartree-Fock energies; and a G0W0 method with a Hybertsen-Louie generalized plasmon-pole model (HL GPP-G0W0). While the latter two methods lead to good agreement with experimental ionization potentials and electron affinities for methane, ozone, and beryllium oxide molecules, FF-G0W0 results can differ by more than one electron volt from experiment. We trace this failure of the FF-G0W0 method to the occurrence of incorrect self-energy poles describing shake-up processes in the vicinity of the quasiparticle energies.

  16. A novel selective and orally bioavailable Nav1.8 channel blocker, PF-01247324, attenuates nociception and sensory neuron excitability

    PubMed Central

    Payne, Claire Elizabeth; Brown, Adam R; Theile, Jonathon W; Loucif, Alexandre J C; Alexandrou, Aristos J; Fuller, Mathew D; Mahoney, John H; Antonio, Brett M; Gerlach, Aaron C; Printzenhoff, David M; Prime, Rebecca L; Stockbridge, Gillian; Kirkup, Anthony J; Bannon, Anthony W; England, Steve; Chapman, Mark L; Bagal, Sharan; Roeloffs, Rosemarie; Anand, Uma; Anand, Praveen; Bungay, Peter J; Kemp, Mark; Butt, Richard P; Stevens, Edward B

    2015-01-01

    Background and Purpose NaV1.8 ion channels have been highlighted as important molecular targets for the design of low MW blockers for the treatment of chronic pain. Here, we describe the effects of PF-01247324, a new generation, selective, orally bioavailable Nav1.8 channel blocker of novel chemotype. Experimental Approach The inhibition of Nav1.8 channels by PF-01247324 was studied using in vitro patch-clamp electrophysiology and the oral bioavailability and antinociceptive effects demonstrated using in vivo rodent models of inflammatory and neuropathic pain. Key Results PF-01247324 inhibited native tetrodotoxin-resistant (TTX-R) currents in human dorsal root ganglion (DRG) neurons (IC50: 331 nM) and in recombinantly expressed h Nav1.8 channels (IC50: 196 nM), with 50-fold selectivity over recombinantly expressed TTX-R hNav1.5 channels (IC50: ∼10 μM) and 65–100-fold selectivity over TTX-sensitive (TTX-S) channels (IC50: ∼10–18 μM). Native TTX-R currents in small-diameter rodent DRG neurons were inhibited with an IC50 448 nM, and the block of both human recombinant Nav1.8 channels and TTX-R from rat DRG neurons was both frequency and state dependent. In vitro current clamp showed that PF-01247324 reduced excitability in both rat and human DRG neurons and also altered the waveform of the action potential. In vivo experiments n rodents demonstrated efficacy in both inflammatory and neuropathic pain models. Conclusions and Implications Using PF-01247324, we have confirmed a role for Nav1.8 channels in both inflammatory and neuropathic pain. We have also demonstrated a key role for Nav1.8 channels in action potential upstroke and repetitive firing of rat and human DRG neurons. PMID:25625641

  17. Effects of rotation on crystal settling in a terrestrial magma ocean: Spherical shell model

    NASA Astrophysics Data System (ADS)

    Maas, C.; Hansen, U.

    2015-12-01

    Like Moon or Mars, Earth experienced one or several deep magma ocean periods of globalextent in a later stage of its accretion. The crystallization of these magma oceans is of keyimportance for the chemical structure of Earth, the mantle evolution and the onset of platetectonics. Due to the fast rotation of early Earth and the small magma viscosity, rotationprobably had a profound effect on differentiation processes. For example, Matyska et al.[1994] propose that the distribution of heterogeneities like the two large low shear velocityprovinces (LLSVP) at the core mantle boundary is influenced by rotational dynamicsof early Earth. Further Garnero and McNamara [2008] suggest that the LLSVPs arevery long-living anomalies, probably reaching back to the time of differentiation andsolidification of Earth. However, nearly all previous studies neglect the effects of rotation.In our previous work using a Cartesian model, a strong influence of rotation as well asof latitude on the differentiation processes in an early magma ocean was revealed. Weshowed that crystal settling in an early stage of magma ocean crystallization cruciallydepends on latitude as well as on rotational strength and crystal density.In order to overcome the restrictions as to the geometry of the Cartesian model, we arecurrently developing a spherical model to simulate crystal settling in a rotating sphericalshell. This model will allow us not only to investigate crystal settling at the poles andthe equator, but also at latitudes in-between these regions, as well as the migration ofcrystals between poles and equator. ReferencesE. J. Garnero and A. K. McNamara. Structure and dynamics of earth's lower mantle.Science, 320(5876):626-628, 2008.C. Matyska, J. Moser, and D. A. Yuen. The potential influence of radiative heat transferon the formation of megaplumes in the lower mantle. Earth and Planetary ScienceLetters, 125(1):255-266, 1994.

  18. The Adopted Morphological Types of 247 Rich PF Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Panko, Elena; Bajan, Katarzyna; Flin, Piotr; Gotsulyak, Alla

    2016-10-01

    Morphological types were determined for 247 rich galaxy clusters from the PF Catalogue of Galaxy Clusters and Groups. The adopted types are based on classical morphological schemes and consider concentration to the cluster center, the signs of preferential direction or plane in the cluster, and the positions of the brightest galaxies. It is shown that both concentration and preferential plane are significant and independent morphological criteria.

  19. Configuration splitting and gamma-decay transition rates in the two-group shell model

    SciTech Connect

    Isakov, V. I.

    2015-09-15

    Expressions for reduced gamma-decay transition rates were obtained on the basis of the twogroup configuration model for the case of transitions between particles belonging to identical groups of nucleons. In practical applications, the present treatment is the most appropriate for describing decays for odd–odd nuclei in the vicinity of magic nuclei or for nuclei where the corresponding subshells stand out in energy. Also, a simple approximation is applicable to describing configuration splitting in those cases. The present calculations were performed for nuclei whose mass numbers are close to A ∼ 90, including N = 51 odd—odd isotones.

  20. Superasymmetric two-center shell model for spontaneous heavy-ion emission

    SciTech Connect

    Mirea, M.

    1996-07-01

    The single particle levels for the heavy-ion emission process are computed. This decay mode is treated like a superasymmetric fission process. The nuclear shape parametrization is characterized by three degrees of freedom. The difficulties encountered in the microscopic determination of the energy scheme at these very large mass asymmetries are presented. Thereby, a new version of the two-center model, especially designed for very large mass asymmetries, is described. The {sup 14}C heavy-ion spontaneous emission from the parent nucleus {sup 223}Ra is treated in the frame of this model. The principal trends of the variations obtained for the energetic levels during this superasymmetric nuclear decay are discussed. Mainly, for this kind of decay mode, the levels with lower values of the angular momentum projection {Omega} show more pronounced variations than those with higher {Omega}. Also, a qualitative explanation for the favoring of the first excited states in the fine structure in this radioactive process is given. {copyright} {ital 1996 The American Physical Society.}

  1. Stellar Populations of Shell Galaxies

    NASA Astrophysics Data System (ADS)

    Carlsten, Scott; Zenteno, Alfredo

    2016-01-01

    We present a study of the inner (out to ˜1 effective radius) stellar populations in a sample of 9 shell galaxies. We derive stellar population parameters from long slit spectra by both analyzing the Lick indices of the galaxies and by fitting high resolution SSP model spectra to the full galaxy spectra. The results from the two methods agree reasonably well. We find the presence of young stellar populations in several of the galaxies, implying recent star formation and allowing us to speculate on the age of the shells. Analyzing the metallicity gradients in our sample, we find an average metallicity gradient of -0.16±0.10 dex/decade in radius. Finally, we compare this with galaxy evolution models to try to constrain the merging history of shell galaxies. We argue that our galaxies likely have undergone major mergers in their past but it is unclear whether the shells formed from these events or from separate minor mergers.

  2. Flexural models of trench/outer rise topography of coronae on Venus with axisymmetric spherical shell elastic plates

    NASA Technical Reports Server (NTRS)

    Moore, W.; Schubert, Gerald; Sandwell, David T.

    1992-01-01

    Magellan altimetry has revealed that many coronae on Venus have trenches or moats around their peripheries and rises outboard of the trenches. This trench/outer rise topographic signature is generally associated with the tectonic annulus of the corona. Sandwell and Schubert have interpreted the trench/outer rise topography and the associated tectonic annulus around coronae to be the result of elastic bending of the Venus lithosphere (though the tectonic structures are consequences of inelastic deformation of the lithosphere). They used two-dimensional elastic plate flexure theory to fit topographic profiles across a number of large coronae and inferred elastic lithosphere thicknesses between about 15 and 40 km, similar to inferred values of elastic thickness for the Earth's lithosphere at subduction zones around the Pacific Ocean. Here, we report the results of using axisymmetric elastic flexure theory for the deformation of thin spherical shell plates to interpret the trench/outer rise topography of the large coronae modeled by Sandwell and Schubert and of coronae as small as 250 km in diameter. In the case of a corona only a few hundred kilometers in diameter, the model accounts for the small planform radius of the moat and the nonradial orientation of altimetric traces across the corona. By fitting the flexural topography of coronae we determine the elastic thickness and loading necessary to account for the observed flexure. We calculate the associated bending moment and determine whether the corona interior topographic load can provide the required moment. We also calculate surface stresses and compare the stress distribution with the location of annular tectonic features.

  3. CME flux rope and shock identifications and locations: Comparison of white light data, Graduated Cylindrical Shell model, and MHD simulations

    NASA Astrophysics Data System (ADS)

    Schmidt, J. M.; Cairns, Iver H.; Xie, Hong; St. Cyr, O. C.; Gopalswamy, N.

    2016-03-01

    Coronal mass ejections (CMEs) are major transient phenomena in the solar corona that are observed with ground-based and spacecraft-based coronagraphs in white light or with in situ measurements by spacecraft. CMEs transport mass and momentum and often drive shocks. In order to derive the CME and shock trajectories with high precision, we apply the graduated cylindrical shell (GCS) model to fit a flux rope to the CME directed toward STEREO A after about 19:00 UT on 29 November 2013 and check the quality of the heliocentric distance-time evaluations by carrying out a three-dimensional magnetohydrodynamic (MHD) simulation of the same CME with the Block Adaptive Tree Solar-Wind Roe Upwind Scheme (BATS-R-US) code. Heliocentric distances of the CME and shock leading edges are determined from the simulated white light images and magnetic field strength data. We find very good agreement between the predicted and observed heliocentric distances, showing that the GCS model and the BATS-R-US simulation approach work very well and are consistent. In order to assess the validity of CME and shock identification criteria in coronagraph images, we also compute synthetic white light images of the CME and shock. We find that the outer edge of a cloud-like illuminated area in the observed and predicted images in fact coincides with the leading edge of the CME flux rope and that the outer edge of a faint illuminated band in front of the CME leading edge coincides with the CME-driven shock front.

  4. Characterisation of the Plasmodium falciparum Hsp70-Hsp90 organising protein (PfHop).

    PubMed

    Gitau, Grace W; Mandal, Pradipta; Blatch, Gregory L; Przyborski, Jude; Shonhai, Addmore

    2012-03-01

    Malaria is caused by Plasmodium species, whose transmission to vertebrate hosts is facilitated by mosquito vectors. The transition from the cold blooded mosquito vector to the host represents physiological stress to the parasite, and additionally malaria blood stage infection is characterised by intense fever periods. In recent years, it has become clear that heat shock proteins play an essential role during the parasite's life cycle. Plasmodium falciparum expresses two prominent heat shock proteins: heat shock protein 70 (PfHsp70) and heat shock protein 90 (PfHsp90). Both of these proteins have been implicated in the development and pathogenesis of malaria. In eukaryotes, Hsp70 and Hsp90 proteins are functionally linked by an essential adaptor protein known as the Hsp70-Hsp90 organising protein (Hop). In this study, recombinant P. falciparum Hop (PfHop) was heterologously produced in E. coli and purified by nickel affinity chromatography. Using specific anti-PfHop antisera, the expression and localisation of PfHop in P. falciparum was investigated. PfHop was shown to co-localise with PfHsp70 and PfHsp90 in parasites at the trophozoite stage. Gel filtration and co-immunoprecipitation experiments suggested that PfHop was present in a complex together with PfHsp70 and PfHsp90. The association of PfHop with both PfHsp70 and PfHsp90 suggests that this protein may mediate the functional interaction between the two chaperones. PMID:22005844

  5. Design optimization of a torpedo shell structure

    NASA Astrophysics Data System (ADS)

    Yu, De-Hai; Song, Bao-Wei; Li, Jia-Wang; Yang, Shi-Xing

    2008-03-01

    An optimized methodology to design a more robust torpedo shell is proposed. The method has taken into account reliability requirements and controllable and uncontrollable factors such as geometry, load, material properties, manufacturing processes, installation, etc. as well as human and environmental factors. The result is a more realistic shell design. Our reliability optimization design model was developed based on sensitivity analysis. Details of the design model are given in this paper. An example of a torpedo shell design based on this model is given and demonstrates that the method produces designs that are more effective and reliable than traditional torpedo shell designs. This method can be used for other torpedo system designs.

  6. Sample-morphology effects on x-ray photoelectron peak intensities. III. Simulated spectra of model core–shell nanoparticles

    SciTech Connect

    Powell, Cedric J.; Chudzicki, Maksymilian; Werner, Wolfgang S. M.; Smekal, Werner

    2015-09-15

    The National Institute of Standards and Technology database for the simulation of electron spectra for surface analysis has been used to simulate Cu 2p photoelectron spectra for four types of spherical copper–gold nanoparticles (NPs). These simulations were made to extend the work of Tougaard [J. Vac. Sci. Technol. A 14, 1415 (1996)] and of Powell et al. [J. Vac. Sci. Technol. A 31, 021402 (2013)] who performed similar simulations for four types of planar copper–gold films. The Cu 2p spectra for the NPs were compared and contrasted with analogous results for the planar films and the effects of elastic scattering were investigated. The new simulations were made for a monolayer of three types of Cu/Au core–shell NPs on a Si substrate: (1) an Au shell of variable thickness on a Cu core with diameters of 0.5, 1.0, 2.0, 5.0, and 10.0 nm; (2) a Cu shell of variable thickness on an Au core with diameters of 0.5, 1.0, 2.0, 5.0, and 10.0 nm; and (3) an Au shell of variable thickness on a 1 nm Cu shell on an Au core with diameters of 0.5, 1.0, 2.0, 5.0, and 10.0 nm. For these three morphologies, the outer-shell thickness was varied until the Cu 2p{sub 3/2} peak intensity was the same (within 2%) as that found in our previous work with planar Cu/Au morphologies. The authors also performed similar simulations for a monolayer of spherical NPs consisting of a CuAu{sub x} alloy (also on a Si substrate) with diameters of 0.5, 1.0, 2.0, 5.0, and 10.0 nm. In the latter simulations, the relative Au concentration (x) was varied to give the same Cu 2p{sub 3/2} peak intensity (within 2%) as that found previously. For each morphology, the authors performed simulations with elastic scattering switched on and off. The authors found that elastic-scattering effects were generally strong for the Cu-core/Au-shell and weak for the Au-core/Cu-shell NPs; intermediate elastic-scattering effects were found for the Au-core/Cu-shell/Au-shell NPs. The shell thicknesses required to give

  7. Report on subcontract from Lawrence Livermore National Lab, "Development of Large-Dimension Configuration-Interaction Shell-Model Code"

    SciTech Connect

    Johnson, C W

    2012-01-24

    The project period was devoted to several developments in the technical capabilities of the BIGSTIC large-dimension configuration-interaction shell-model code, written in Fortran 90. The specific computational goals for the project period were: (1) store Lanczos vectors on core in RAM to minimize I/O; (2) rewrite reorthogonalization with Lanczos vectors stored in core, consult with personnel at LLNL, LBL, ORNL, Iowa State University to maximize performance; (3) restrict creation of N-body jumps to those needed by an individual node; and (4) distribute 3-body interaction over many cores. Significant progress was made towards these goals, especially (1) and (2), although in the process they discovered intermediate tasks that had to be accomplished first. The achievements were as follows - I put into place structures and algorithms to facility fragmenting very large-dimension Lanczos intermediate vectors. Only by fragmenting the vectors can we carry out (1) and (2). In addition, I reorganized the action of the Hamiltonian matrix and created a new division of operations for MPI. Based upon earlier work, I made plans of a revised algorithm for distribution of work with MPI, with a particular eye towards breaking up the Lanczos vectors. I introduce a new derived type (opbundles) which collects the parameters for the Hamiltonian, and rewrote the application routines to use it. It has been validated and verified. I made progress towards revised MPI parallelization. Using the opbundles, I was able to compute a distribution of work over compute nodes, which should be very efficient. This new distribution is easier to derive and more efficient, in principle, than the old distribution. Furthermore, it should make applications with fragmented Lanczos vectors easier. Implementation is still in progress.

  8. Analysis of thin-walled cylindrical composite shell structures subject to axial and bending loads: Concept development, analytical modeling and experimental verification

    NASA Astrophysics Data System (ADS)

    Mahadev, Sthanu

    Continued research and development efforts devoted in recent years have generated novel avenues towards the advancement of efficient and effective, slender laminated fiber-reinforced composite members. Numerous studies have focused on the modeling and response characterization of composite structures with particular relevance to thin-walled cylindrical composite shells. This class of shell configurations is being actively explored to fully determine their mechanical efficacy as primary aerospace structural members. The proposed research is targeted towards formulating a composite shell theory based prognosis methodology that entails an elaborate analysis and investigation of thin-walled cylindrical shell type laminated composite configurations that are highly desirable in increasing number of mechanical and aerospace applications. The prime motivation to adopt this theory arises from its superior ability to generate simple yet viable closed-form analytical solution procedure to numerous geometrically intense, inherent curvature possessing composite structures. This analytical evaluative routine offers to acquire a first-hand insight on the primary mechanical characteristics that essentially govern the behavior of slender composite shells under typical static loading conditions. Current work exposes the robustness of this mathematical framework via demonstrating its potential towards the prediction of structural properties such as axial stiffness and bending stiffness respectively. Longitudinal ply-stress computations are investigated upon deriving the global stiffness matrix model for composite cylindrical tubes with circular cross-sections. Additionally, this work employs a finite element based numerical technique to substantiate the analytical results reported for cylindrically shaped circular composite tubes. Furthermore, this concept development is extended to the study of thin-walled, open cross-sectioned, curved laminated shells that are geometrically

  9. Computing excess functions of ionic solutions: the smaller-ion shell model versus the primitive model. 2. Ion-size parameters.

    PubMed

    Fraenkel, Dan

    2015-01-13

    A recent Monte Carlo (MC) simulation study of the primitive model (PM) of ionic solutions ( Abbas, Z. et al. J. Phys. Chem. B 2009 , 113 , 5905 ) has resulted in an extensive "mapping" of real aqueous solutions of 1-1, 2-1, and 3-1 binary electrolytes and a list of "recommended ionic radii" for many ions. For the smaller cations, the model-experiment fitting process gave much larger radii than the respective crystallographic radii, and those cations were therefore claimed to be hydrated. In Part 1 (DOI 10.1021/ct5006938 ) of the present work, the above study for the unrestricted PM - dubbed MC-UPM - has been confronted with the Smaller-ion Shell (SiS) treatment ( Fraenkel, D. Mol. Phys. 2010 , 108 , 1435 ), or "DH-SiS", by comparing the range and quality of model-experiment fits of the mean ionic activity coefficient as a function of ionic concentration. Here I compare the ion-size parameters (ISPs) of "best fit" of the two models and argue that since ISPs derived from DH-SiS are identical with (or close to) crystallographic or thermochemical ionic diameters for both cations and anions, and they do not depend on the counterion - they are more reliable, as physicochemical entities, than the PM-derived "recommended ionic radii".

  10. Radiation Enhancement of Head and Neck Squamous Cell Carcinoma by the Dual PI3K/mTOR Inhibitor PF-05212384

    PubMed Central

    Leiker, Andrew J.; DeGraff, William; Choudhuri, Rajani; Sowers, Anastasia L.; Thetford, Angela; Cook, John A.; Van Waes, Carter; Mitchell, James B.

    2015-01-01

    Purpose Radiation remains a mainstay for the treatment of non-metastatic head and neck squamous cell carcinoma (HNSCC), a malignancy characterized by a high rate of PI3K/mTOR signaling axis activation. We investigated the ATP-competitive dual PI3K/mTOR inhibitor, PF-05212384, as a radiosensitizer in pre-clinical HNSCC models. Experimental Design Extent of radiation enhancement of two HNSCC cell lines (UMSCC1-wtP53, UMSCC46-mtP53) and normal human fibroblast (1522) was assessed by in vitro clonogenic assay with appropriate target inhibition verified by immunoblotting. Radiation induced DNA damage repair was evaluated by γH2AX western blots with mechanism of DNA-DSB repair abrogation investigated by cell cycle analysis, immunoblotting, and RT-PCR. PF-05212384 efficacy in vivo was assessed by UMSCC1 xenograft tumor regrowth delay, xenograft lysate immunoblotting, and tissue section immunohistochemistry. Results PF-05212384 effectively inhibited PI3K and mTOR resulting in significant radiosensitization of exponentially growing and plateau-phase cells with 24 hr treatment following irradiation, and variable radiation enhancement with 24 hr treatment prior to irradiation. Tumor cells radiosensitized to a greater extent than normal human fibroblasts. Post-irradiation PF-05212384 treatment delays γ-H2AX foci resolution. PF-05212384 24 hr exposure resulted in an evident G1/S phase block in p53 competent cells. Fractionated radiation plus IV PF-05212384 synergistically delayed nude-mice bearing UMSCC1 xenograft regrowth, with potential drug efficacy biomarkers identified, including pS6, pAkt, p4EBP1, and Ki67. Conclusions Taken together, our results of significant radiosensitization both in vitro and in vivo validates the PI3K/mTOR axis as a radiation modification target and PF-05212384 as a potential clinical radiation modifier of non-metastatic HNSCC. PMID:25724523

  11. Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H{sub 2}O

    SciTech Connect

    Carniato, S. Selles, P.; Andric, L.; Palaudoux, J.; Penent, F.; Lablanquie, P.; Žitnik, M.; Bučar, K.; Nakano, M.; Hikosaka, Y.; Ito, K.

    2015-01-07

    We present in detail a theoretical model that provides absolute cross sections for simultaneous core-ionization core-excitation (K{sup −2}V ) and compare its predictions with experimental results obtained on the water molecule after photoionization by synchrotron radiation. Two resonances of different symmetries are assigned in the main K{sup −2}V peak and comparable contributions from monopolar (direct shake-up) and dipolar (conjugate shake-up) core-valence excitations are identified. The main peak is observed with a much greater width than the total experimental resolution. This broadening is the signature of nuclear dynamics.

  12. Refinement of Modeling Techniques for the Structural Evaluation of Hanford Single-Shell Nuclear Waste Storage Tanks

    SciTech Connect

    Karri, Naveen K.; Rinker, Michael W.; Johnson, Kenneth I.; Bapanapalli, Satish K.

    2012-03-01

    Abstract: A total of 149 tanks out of 177 at the Hanford Site (in Washington State, USA) belong to the first generation of underground nuclear waste storage tanks known as single shell tanks (SSTs). These tanks were constructed between 1943 and 1964 and are well beyond their design life. All the SSTs had been removed from active service by November 1980 and have been later interim stabilized by removing the pumpable liquids. The remaining waste in the tanks is in the form of salt cake and sludge awaiting r permanent disposal.. The evaluation of the structural integrity of these tanks is of utmost importance not only for the continued safe storage of the waste until waste retrieval and closure, but also to assure safe retrieval and closure operations. This article discusses the structural analysis approach, modeling challenges and issues encountered during the ongoing analysis of record (AOR) for evaluating the structural integrity of the SSTs. There are several geometrical and material nonlinearities and uncertainties to be dealt with while performing the modern finite element analysis of these tanks. Several studies were conducted to refine the models in order to minimize modeling artifacts introduced by soil arching, boundary effects, concrete cracking, and concrete-soil interface behavior. The analysis takes into account the temperature history of the tanks and allowable mechanical operating loads of these tanks for proper estimation of creep strains and thermal degradation of material properties. The loads imposed in the AOR models also include anticipated loads that these tanks may see during waste retrieval and closure. Due to uncertainty in a number of inputs to the models, sensitivity studies were conducted to address questions related to the boundary conditions to 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

  13. TECHNICAL NOTE: The formulation of a refined hybrid enhanced assumed strain solid shell element and its application to model smart structures containing distributed piezoelectric sensors/actuators

    NASA Astrophysics Data System (ADS)

    Zheng, Shijie; Wang, Xinwei; Chen, Wanji

    2004-08-01

    In the present paper, a novel refined hybrid piezoelectric element formulation is developed for mechanical analysis and active vibration control of laminated structures bonded to piezoelectric sensors and actuators. By invoking the electrical field potential equation, a 'quasi-decoupling' method for treating the coupling electromechanical effects is presented and a modified generalized variational principle with a weaker interelement continuity condition is proposed. On the basis of this functional, a general formulation for a refined hybrid piezoelectric element method is established by incorporating an orthogonal interpolation approach and enhanced assumed strain (EAS) modes. A linearly distributed transverse EAS in the thickness direction is adopted to overcome the thickness locking of solid shell elements. Compared with the conventional incompatible brick element approach, the present formulation is very reliable, more accurate, computationally efficient and can be used to model the response of thin plates and shell structures.

  14. A mixed "Biot-Shell" analytical model for the prediction of sound transmission through a sandwich cylinder with a poroelastic core

    NASA Astrophysics Data System (ADS)

    Magniez, Julien; Hamdi, Mohamed Ali; Chazot, Jean-Daniel; Troclet, Bernard

    2016-01-01

    A mixed "Biot-Shell" analytical model dedicated to the calculation of sound transmission through an infinite sandwich cylinder composed of orthotropic skins and a poroelastic core is proposed in this paper. The motion of the two thin orthotropic skins is described with the first-order shear deformation theory while the poroelastic core is modeled with the full 3D Biot's theory. The main advantage of this mixed model is that it takes into account the elasticity effects related to the skeleton of the poroelastic material. First, an analytical expression of the displacement and stress fields of the solid and fluid phases in the poroelastic layer is presented in cylindrical coordinates. Then, the poroelastic core transfer matrix relating the displacements and the stresses at the two common interfaces between the core and the skins is calculated. The coupling of the two skins is then made using the modal transfer matrix of the core, leading to the global dynamic equilibrium of the sandwich cylinder. The proposed model is finally used to calculate the sound Transmission Loss (TL) of infinite cylinders excited by an incident plane wave. Excellent agreement is observed in comparison with a finite element model. The usefulness of Biot's model in this type of problem is demonstrated by comparing the results with those obtained with equivalent fluid models. The mixed "Biot-Shell" analytical model is finally used to demonstrate the influence of the structural damping of each layer and to study the sound transmission in different configurations.

  15. Relativistic Continuum Shell Model

    NASA Astrophysics Data System (ADS)

    Grineviciute, Janina; Halderson, Dean

    2011-04-01

    The R-matrix formalism of Lane and Thomas has been extended to the relativistic case so that the many-coupled channels problem may be solved for systems in which binary breakup channels satisfy a relative Dirac equation. The formalism was previously applied to the relativistic impulse approximation RIA and now we applied it to Quantum Hadrodynamics QHD in the continuum Tamm-Dancoff approximation TDA with the classical meson fields replaced by one-meson exchange potentials. None of the published QHD parameters provide a decent fit to the 15 N + p elastic cross section. The deficiency is also evident in inability of the QHD parameters with the one meson exchange potentials to reproduce the QHD single particle energies. Results with alternate parameters sets are presented. A. M. Lane and R. G. Thomas, R-Matrix Theory of Nuclear Reactions, Reviews of Modern Physics, 30 (1958) 257

  16. Structural and Biochemical Characterization of Plasmodium falciparum 12 (Pf12) Reveals a Unique Interdomain Organization and the Potential for an Antiparallel Arrangement with Pf41*

    PubMed Central

    Tonkin, Michelle L.; Arredondo, Silvia A.; Loveless, Bianca C.; Serpa, Jason J.; Makepeace, Karl A. T.; Sundar, Natarajan; Petrotchenko, Evgeniy V.; Miller, Louis H.; Grigg, Michael E.; Boulanger, Martin J.

    2013-01-01

    Plasmodium falciparum is the most devastating agent of human malaria. A major contributor to its virulence is a complex lifecycle with multiple parasite forms, each presenting a different repertoire of surface antigens. Importantly, members of the 6-Cys s48/45 family of proteins are found on the surface of P. falciparum in every stage, and several of these antigens have been investigated as vaccine targets. Pf12 is the archetypal member of the 6-Cys protein family, containing just two s48/45 domains, whereas other members have up to 14 of these domains. Pf12 is strongly recognized by immune sera from naturally infected patients. Here we show that Pf12 is highly conserved and under purifying selection. Immunofluorescence data reveals a punctate staining pattern with an apical organization in late schizonts. Together, these data are consistent with an important functional role for Pf12 in parasite-host cell attachment or invasion. To infer the structural and functional diversity between Pf12 and the other 11 6-Cys domain proteins, we solved the 1.90 Å resolution crystal structure of the Pf12 ectodomain. Structural analysis reveals a unique organization between the membrane proximal and membrane distal domains and clear homology with the SRS-domain containing proteins of Toxoplasma gondii. Cross-linking and mass spectrometry confirm the previously identified Pf12-Pf41 heterodimeric complex, and analysis of individual cross-links supports an unexpected antiparallel organization. Collectively, the localization and structure of Pf12 and details of its interaction with Pf41 reveal important insight into the structural and functional properties of this archetypal member of the 6-Cys protein family. PMID:23511632

  17. Role of helicity in triad interactions in three-dimensional turbulence investigated by a new shell model

    NASA Astrophysics Data System (ADS)

    Rathmann, Nicholas M.; Ditlevsen, Peter D.

    2016-09-01

    Fully developed homogeneous isotropic turbulence in two dimensions is fundamentally different from that in three dimensions. In two dimensions, the simultaneous inviscid conservation of both kinetic energy and enstrophy within the inertial range of scales leads to a forward cascade of enstrophy and a reverse cascade of energy. In three dimensions, helicity, the integral of the scalar product of velocity and vorticity, is also an inviscid flow invariant along with the energy. Unlike the enstrophy, however, the helicity does not block the forward cascade of energy to small scales. Energy and helicity are conserved not only globally but also within each nonlinear triadic interaction between three plane waves in the spectral form of the Navier-Stokes equation (NSE). By decomposing each plane wave into two helical modes of opposite helicities, each triadic interaction is split into a set of eight helical triadic interactions between helical modes [F. Waleffe, Phys. Fluids A 4, 350 (1992), 10.1063/1.858309]. Recently it was found that a subset of these helical interactions, which render both signs of helicity separately conserved (enstrophy-like), leads to an inverse cascade of (part of) the energy [L. Biferale et al., Phys. Rev. Lett. 108, 164501 (2012), 10.1103/PhysRevLett.108.164501]. Motivated by this finding we introduce a new shell model, obtained from the NSE expressed in the helical basis, allowing the eight helical interactions to be coupled as in the NSE and their relative contributions evaluated as a function of both the net helicity input and triad geometry. By numerically integrating the new model, we find that the intermittency of the energy cascade decreases with the net helicity input. Studying the partitioning of the energy cascade between the eight helical interactions, we find that the decrease in intermittency is related to a shift in the dominating helical interactions when helically forced, two of which exhibit a larger cascade intermittency than

  18. Nuclear matrix elements for 0νβ{sup −}β{sup −} decays: Comparative analysis of the QRPA, shell model and IBM predictions

    SciTech Connect

    Civitarese, Osvaldo; Suhonen, Jouni

    2013-12-30

    In this work we report on general properties of the nuclear matrix elements involved in the neutrinoless double β{sup −} decays (0νβ{sup −}β{sup −} decays) of several nuclei. A summary of the values of the NMEs calculated along the years by the Jyväskylä-La Plata collaboration is presented. These NMEs, calculated in the framework of the quasiparticle random phase approximation (QRPA), are compared with those of the other available calculations, like the Shell Model (ISM) and the interacting boson model (IBA-2)

  19. SINGLE-SHELL TANK INTEGRITY PROJECT ANALYSIS OF RECORD-PRELIMINARY MODELING PLAN FOR THERMAL AND OPERATING LOADS

    SciTech Connect

    RAST RS; RINKER MW; BAPANAALLI SK; DEIBLER JE; GUZMAN-LEONG CE; JOHNSON KI; KARRI NK; PILLI SP; SANBORN SE

    2010-10-22

    This document is a Phase I deliverable for the Single-Shell Tank Analysis of Record effort. This document is not the Analysis of Record. The intent of this document is to guide the Phase II detailed modeling effort. Preliminary finite element models for each of the tank types were developed and different case studies were performed on one or more of these tank types. Case studies evaluated include thermal loading, waste level variation, the sensitivity of boundary effects (soil radial extent), excavation slope or run to rise ratio, soil stratigraphic (property and layer thickness) variation at different farm locations, and concrete material property variation and their degradation under thermal loads. The preliminary analysis document reviews and preliminary modeling analysis results are reported herein. In addition, this report provides recommendations for the next phase of the SST AOR project, SST detailed modeling. Efforts and results discussed in this report do not include seismic modeling as seismic modeling is covered by a separate report. The combined results of both static and seismic models are required to complete this effort. The SST AOR project supports the US Department of Energy's (DOE) Office of River Protection (ORP) mission for obtaining a better understanding of the structural integrity of Hanford's SSTs. The 149 SSTs, with six different geometries, have experienced a range of operating histories which would require a large number of unique analyses to fully characterize their individual structural integrity. Preliminary modeling evaluations were conducted to determine the number of analyses required for adequate bounding of each of the SST tank types in the Detailed Modeling Phase of the SST AOR Project. The preliminary modeling was conducted in conjunction with the Evaluation Criteria report, Johnson et al. (2010). Reviews of existing documents were conducted at the initial stage of preliminary modeling. These reviews guided the topics that were

  20. Optimization of an Imidazopyridazine Series of Inhibitors of Plasmodium falciparum Calcium-Dependent Protein Kinase 1 (PfCDPK1)

    PubMed Central

    2014-01-01

    A structure-guided design approach using a homology model of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1) was used to improve the potency of a series of imidazopyridazine inhibitors as potential antimalarial agents. This resulted in high affinity compounds with PfCDPK1 enzyme IC50 values less than 10 nM and in vitroP. falciparum antiparasite EC50 values down to 12 nM, although these compounds did not have suitable ADME properties to show in vivo efficacy in a mouse model. Structural modifications designed to address the ADME issues, in particular permeability, were initially accompanied by losses in antiparasite potency, but further optimization allowed a good balance in the compound profile to be achieved. Upon testing in vivo in a murine model of efficacy against malaria, high levels of compound exposure relative to their in vitro activities were achieved, and the modest efficacy that resulted raises questions about the level of effect that is achievable through the targeting of PfCDPK1. PMID:24689770

  1. One-Way Coupling of an Advanced CFD Multi-Physics Model to FEA for Predicting Stress-Strain in the Solidifying Shell during Continuous Casting of Steel

    NASA Astrophysics Data System (ADS)

    Svensson, Johan; Ramírez López, Pavel E.; Jalali, Pooria N.; Cervantes, Michel

    2015-06-01

    One of the main targets for Continuous Casting (CC) modelling is the actual prediction of defects during transient events. However, the majority of CC models are based on a statistical approach towards flow and powder performance, which is unable to capture the subtleties of small variations in casting conditions during real industrial operation or the combined effects of such changes leading eventually to defects. An advanced Computational Fluid Dynamics (CFD) model; which accounts for transient changes on lubrication during casting due to turbulent flow dynamics and mould oscillation has been presented on MCWASP XIV (Austria) to address these issues. The model has been successfully applied to the industrial environment to tackle typical problems such as lack of lubrication or unstable flows. However, a direct application to cracking had proven elusive. The present paper describes how results from this advanced CFD-CC model have been successfully coupled to structural Finite Element Analysis (FEA) for prediction of stress-strains as a function of irregular lubrication conditions in the mould. The main challenge for coupling was the extraction of the solidified shell from CFD calculations (carried out with a hybrid structured mesh) and creating a geometry by using iso-surfaces, re-meshing and mapping loads (e.g. temperature, pressure and external body forces), which served as input to mechanical stress-strain calculations. Preliminary results for CC of slabs show that the temperature distribution within the shell causes shrinkage and thermal deformation; which are in turn, the main source of stress. Results also show reasonable stress levels of 10-20 MPa in regions, where the shell is thin and exposed to large temperature gradients. Finally, predictions are in good agreement with prior works where stresses indicate compression at the slab surface, while tension is observed at the interior; generating a characteristic stress-strain state during solidification in CC.

  2. Pf1 bacteriophage hydration by magic angle spinning solid-state NMR

    NASA Astrophysics Data System (ADS)

    Sergeyev, Ivan V.; Bahri, Salima; Day, Loren A.; McDermott, Ann E.

    2014-12-01

    High resolution two- and three-dimensional heteronuclear correlation spectroscopy (1H-13C, 1H-15N, and 1H-13C-13C HETCOR) has provided a detailed characterization of the internal and external hydration water of the Pf1 virion. This long and slender virion (2000 nm × 7 nm) contains highly stretched DNA within a capsid of small protein subunits, each only 46 amino acid residues. HETCOR cross-peaks have been unambiguously assigned to 25 amino acids, including most external residues 1-21 as well as residues 39-40 and 43-46 deep inside the virion. In addition, the deoxyribose rings of the DNA near the virion axis are in contact with water. The sets of cross-peaks to the DNA and to all 25 amino acid residues were from the same hydration water 1H resonance; some of the assigned residues do not have exchangeable side-chain protons. A mapping of the contacts onto structural models indicates the presence of water "tunnels" through a highly hydrophobic region of the capsid. The present results significantly extend and modify results from a lower resolution study, and yield a comprehensive hydration surface map of Pf1. In addition, the internal water could be distinguished from external hydration water by means of paramagnetic relaxation enhancement. The internal water population may serve as a conveniently localized magnetization reservoir for structural studies.

  3. Pf1 bacteriophage hydration by magic angle spinning solid-state NMR

    SciTech Connect

    Sergeyev, Ivan V.; Bahri, Salima; McDermott, Ann E.; Day, Loren A.

    2014-12-14

    High resolution two- and three-dimensional heteronuclear correlation spectroscopy ({sup 1}H–{sup 13}C, {sup 1}H–{sup 15}N, and {sup 1}H–{sup 13}C–{sup 13}C HETCOR) has provided a detailed characterization of the internal and external hydration water of the Pf1 virion. This long and slender virion (2000 nm × 7 nm) contains highly stretched DNA within a capsid of small protein subunits, each only 46 amino acid residues. HETCOR cross-peaks have been unambiguously assigned to 25 amino acids, including most external residues 1–21 as well as residues 39–40 and 43–46 deep inside the virion. In addition, the deoxyribose rings of the DNA near the virion axis are in contact with water. The sets of cross-peaks to the DNA and to all 25 amino acid residues were from the same hydration water {sup 1}H resonance; some of the assigned residues do not have exchangeable side-chain protons. A mapping of the contacts onto structural models indicates the presence of water “tunnels” through a highly hydrophobic region of the capsid. The present results significantly extend and modify results from a lower resolution study, and yield a comprehensive hydration surface map of Pf1. In addition, the internal water could be distinguished from external hydration water by means of paramagnetic relaxation enhancement. The internal water population may serve as a conveniently localized magnetization reservoir for structural studies.

  4. Accurate flexible fitting of high-resolution protein structures to small-angle x-ray scattering data using a coarse-grained model with implicit hydration shell.

    PubMed

    Zheng, Wenjun; Tekpinar, Mustafa

    2011-12-21

    Small-angle x-ray scattering (SAXS) is a powerful technique widely used to explore conformational states and transitions of biomolecular assemblies in solution. For accurate model reconstruction from SAXS data, one promising approach is to flexibly fit a known high-resolution protein structure to low-resolution SAXS data by computer simulations. This is a highly challenging task due to low information content in SAXS data. To meet this challenge, we have developed what we believe to be a novel method based on a coarse-grained (one-bead-per-residue) protein representation and a modified form of the elastic network model that allows large-scale conformational changes while maintaining pseudobonds and secondary structures. Our method optimizes a pseudoenergy that combines the modified elastic-network model energy with a SAXS-fitting score and a collision energy that penalizes steric collisions. Our method uses what we consider a new implicit hydration shell model that accounts for the contribution of hydration shell to SAXS data accurately without explicitly adding waters to the system. We have rigorously validated our method using five test cases with simulated SAXS data and three test cases with experimental SAXS data. Our method has successfully generated high-quality structural models with root mean-squared deviation of 1 ∼ 3 Å from the target structures.

  5. Thermal Stability of LiPF6 Salt and Li-ion Battery Electrolytes Containing LiPF6

    SciTech Connect

    Yang, Hui; Zhuang, Guorong V; Ross, Jr, Philip N

    2006-03-08

    The thermal stability of the neat LiPF6 salt and of 1 molal solutions of LiPF6 in prototypical Li-ion battery solvents was studied with thermogravimetric analysis (TGA) and on-line FTIR. Pure LiPF6 salt is thermally stable up to 380 K in a dry inert atmosphere, and its decomposition path is a simple dissociation producing LiF as solid and PF5 as gaseous products. In the presence of water (300 ppm) in the carrier gas, its decomposition onset temperature is lowered as a result of direct thermal reaction between LiPF6 and water vapor to form POF3 and HF. No new products were observed in 1 molal solutions of LiPF6 in EC, DMC and EMC by on-line TGA-FTIR analysis. The storage of the same solutions in sealed containers at 358 K for 300 420 hrs. did not produce any significant quantity of new products as well. In particular, noalkylflurophosphates were found in the solutions after storage at elevated temperature. In the absence of either an impurity like alcohol or cathode active material that may (or may not) act as a catalyst, there is no evidence of thermally induced reaction between LiPF6 and the prototypical Li-ion battery solvents EC, PC, DMC or EMC.

  6. Progress with Plasmodium falciparum sporozoite (PfSPZ)-based malaria vaccines.

    PubMed

    Richie, Thomas L; Billingsley, Peter F; Sim, B Kim Lee; James, Eric R; Chakravarty, Sumana; Epstein, Judith E; Lyke, Kirsten E; Mordmüller, Benjamin; Alonso, Pedro; Duffy, Patrick E; Doumbo, Ogobara K; Sauerwein, Robert W; Tanner, Marcel; Abdulla, Salim; Kremsner, Peter G; Seder, Robert A; Hoffman, Stephen L

    2015-12-22

    Sanaria Inc. has developed methods to manufacture, purify and cryopreserve aseptic Plasmodium falciparum (Pf) sporozoites (SPZ), and is using this platform technology to develop an injectable PfSPZ-based vaccine that provides high-grade, durable protection against infection with Pf malaria. Several candidate vaccines are being developed and tested, including PfSPZ Vaccine, in which the PfSPZ are attenuated by irradiation, PfSPZ-CVac, in which fully infectious PfSPZ are attenuated in vivo by concomitant administration of an anti-malarial drug, and PfSPZ-GA1, in which the PfSPZ are attenuated by gene knockout. Forty-three research groups in 15 countries, organized as the International PfSPZ Consortium (I-PfSPZ-C), are collaborating to advance this program by providing intellectual, clinical, and financial support. Fourteen clinical trials of these products have been completed in the USA, Europe and Africa, two are underway and at least 12 more are planned for 2015-2016 in the US (four trials), Germany (2 trials), Tanzania, Kenya, Mali, Burkina Faso, Ghana and Equatorial Guinea. Sanaria anticipates application to license a first generation product as early as late 2017, initially to protect adults, and a year later to protect all persons >6 months of age for at least six months. Improved vaccine candidates will be advanced as needed until the following requirements have been met: long-term protection against natural transmission, excellent safety and tolerability, and operational feasibility for population-wide administration. Here we describe the three most developed whole PfSPZ vaccine candidates, associated clinical trials, initial plans for licensure and deployment, and long-term objectives for a final product suitable for mass administration to achieve regional malaria elimination and eventual global eradication.

  7. Progress with Plasmodium falciparum sporozoite (PfSPZ)-based malaria vaccines

    PubMed Central

    Richie, Thomas L.; Billingsley, Peter F.; Sim, B. Kim Lee; James, Eric R.; Chakravarty, Sumana; Epstein, Judith E.; Lyke, Kirsten E.; Mordmüller, Benjamin; Alonso, Pedro; Duffy, Patrick E.; Doumbo, Ogobara K.; Sauerwein, Robert W.; Tanner, Marcel; Abdulla, Salim; Kremsner, Peter G.; Seder, Robert A.; Hoffman, Stephen L.

    2016-01-01

    Sanaria Inc. has developed methods to manufacture, purify and cryopreserve aseptic Plasmodium falciparum (Pf) sporozoites (SPZ), and is using this platform technology to develop an injectable PfSPZ-based vaccine that provides high-grade, durable protection against infection with Pf malaria. Several candidate vaccines are being developed and tested, including PfSPZ Vaccine, in which the PfSPZ are attenuated by irradiation, PfSPZ-CVac, in which fully infectious PfSPZ are attenuated in vivo by concomitant administration of an anti-malarial drug, and PfSPZ-GA1, in which the PfSPZ are attenuated by gene knockout. Forty-three research groups in 15 countries, organized as the International PfSPZ Consortium (I-PfSPZ-C), are collaborating to advance this program by providing intellectual, clinical, and financial support. Fourteen clinical trials of these products have been completed in the USA, Europe and Africa, two are underway and at least 12 more are planned for 2015–2016 in the US (four trials), Germany (2 trials), Tanzania, Kenya, Mali, Burkina Faso, Ghana and Equatorial Guinea. Sanaria anticipates application to license a first generation product as early as late 2017, initially to protect adults, and a year later to protect all persons >6 months of age for at least six months. Improved vaccine candidates will be advanced as needed until the following requirements have been met: long-term protection against natural transmission, excellent safety and tolerability, and operational feasibility for population-wide administration. Here we describe the three most developed whole PfSPZ vaccine candidates, associated clinical trials, initial plans for licensure and deployment, and long-term objectives for a final product suitable for mass administration to achieve regional malaria elimination and eventual global eradication. PMID:26469720

  8. The Chlamydomonas mutant pf27 reveals novel features of ciliary radial spoke assembly.

    PubMed

    Alford, Lea M; Mattheyses, Alexa L; Hunter, Emily L; Lin, Huawen; Dutcher, Susan K; Sale, Winfield S

    2013-12-01

    To address the mechanisms of ciliary radial spoke assembly, we took advantage of the Chlamydomonas pf27 mutant. The radial spokes that assemble in pf27 are localized to the proximal quarter of the axoneme, but otherwise are fully assembled into 20S radial spoke complexes competent to bind spokeless axonemes in vitro. Thus, pf27 is not defective in radial spoke assembly or docking to the axoneme. Rather, our results suggest that pf27 is defective in the transport of spoke complexes. During ciliary regeneration in pf27, radial spoke assembly occurs asynchronously from other axonemal components. In contrast, during ciliary regeneration in wild-type Chlamydomonas, radial spokes and other axonemal components assemble concurrently as the axoneme grows. Complementation in temporary dikaryons between wild-type and pf27 reveals rescue of radial spoke assembly that begins at the distal tip, allowing further assembly to proceed from tip to base of the axoneme. Notably, rescued assembly of radial spokes occurred independently of the established proximal radial spokes in pf27 axonemes in dikaryons. These results reveal that 20S radial spokes can assemble proximally in the pf27 cilium but as the cilium lengthens, spoke assembly requires transport. We postulate that PF27 encodes an adaptor or modifier protein required for radial spoke–IFT interaction.

  9. The Chlamydomonas mutant pf27 reveals novel features of ciliary radial spoke assembly

    PubMed Central

    Alford, Lea M.; Mattheyses, Alexa L.; Hunter, Emily L.; Lin, Huawen; Dutcher, Susan K.; Sale, Winfield S.

    2014-01-01

    To address the mechanisms of ciliary radial spoke assembly, we took advantage of the Chlamydomonas pf27 mutant. The radial spokes that assemble in pf27 are localized to the proximal quarter of the axoneme, but otherwise are fully assembled into 20S radial spoke complexes competent to bind spokeless axonemes in vitro. Thus, pf27 is not defective in radial spoke assembly or docking to the axoneme. Rather, our results suggest that pf27 is defective in the transport of spoke complexes. During ciliary regeneration in pf27, radial spoke assembly occurs asynchronously from other axonemal components. In contrast, during ciliary regeneration in wild-type Chlamydomonas, radial spokes and other axonemal components assemble concurrently as the axoneme grows. Complementation in temporary dikaryons between wild-type and pf27 reveals rescue of radial spoke assembly that begins at the distal tip, allowing further assembly to proceed from tip to base of the axoneme. Notably, rescued assembly of radial spokes occurred independently of the established proximal radial spokes in pf27 axonemes in dikaryons. These results reveal that 20S radial spokes can assemble proximally in the pf27 cilium but as the cilium lengthens, spoke assembly requires transport. We postulate that PF27 encodes an adaptor or modifier protein required for radial spoke – IFT interaction. PMID:24124175

  10. TRAC-PF1: an advanced best-estimate computer program for pressurized water reactor analysis

    SciTech Connect

    Liles, D.R.; Mahaffy, J.H.

    1984-02-01

    The Transient Reactor Analysis Code (TRAC) is being developed at the Los Alamos National Laboratory to provide advanced best-estimate predictions of postulated accidents in light water reactors. The TRAC-PF1 program provides this capability for pressurized water reactors and for many thermal-hydraulic experimental facilities. The code features either a one-dimensional or a three-dimensional treatment of the pressure vessel and its associated internals; a two-phase, two-fluid nonequilibrium hydrodynamics model with a noncondensable gas field; flow-regime-dependent constitutive equation treatment; optional reflood tracking capability for both bottom flood and falling-film quench fronts; and consistent treatment of entire accident sequences including the generation of consistent initial conditions. This report describes the thermal-hydraulic models and the numerical solution methods used in the code. Detailed programming and user information also are provided.

  11. Shell Model Analysis of the ^45V(p,γ) thermonuclear reaction rate relevant to ^44Ti production in core-collapse supernovae

    NASA Astrophysics Data System (ADS)

    Horoi, M.; Jora, R.; Zelevinsky, V.; Murphy, A. St. J.; Boyd, R. N.

    2001-10-01

    A reliable estimate of the ^45V(p,γ) reaction rate is necessary in order to reduce a large uncertainty in the production of ^44Ti in core collapse supernovae. We performed a theoretical analysis of the astrophysical factors and reaction rates including resonances in ^46Cr associated with the analog states in ^46Ti. Full fp shell model calculations are performed to predict positive parity states in ^46Ti situated in the Gamow window, which have a significant proton spectroscopic factor. The uncertainty of the reaction rate associated with electric dipole gamma decays to the negative parity low-lying states is also discussed.

  12. Modeling X-Ray Photoionized Plasmas: Ion Storage Ring Measurements of Low Temperature Dielectronic Recombination Rate Coefficients for L-Shell Iron

    NASA Technical Reports Server (NTRS)

    Savin, D. W.; Badnell, N. R.; Bartsch, T.; Brandau, C.; Chen, M. H.; Grieser, M.; Gwinner, G.; Hoffknecht, A.; Kahn, S. M.; Linkemann, J.

    2000-01-01

    Iron L-shell ions (Fe XVII to Fe XXIV) play an important role in determining the line emission and thermal and ionization structures of photoionized gases. Existing uncertainties in the theoretical low temperature dielectronic recombination (DR) rate coefficients for these ions significantly affects our ability to model and interpret observations of photoionized plasmas. To help address this issue, we have initiated a laboratory program to produce reliable low temperature DR rates. Here, we present some of our recent results and discuss some of their astrophysical implications.

  13. Classification Shell Game.

    ERIC Educational Resources Information Center

    Etzold, Carol

    1983-01-01

    Discusses shell classification exercises. Through keying students advanced from the "I know what a shell looks like" stage to become involved in the classification process: observing, labeling, making decisions about categories, and identifying marine animals. (Author/JN)

  14. PF191012 Myszyniec - highest Orionid meteor ever recorded

    NASA Astrophysics Data System (ADS)

    Olech, A.; Żołaḑek, P.; Wiśniewski, M.; Fietkiewicz, K.; Maciejewski, M.; Tymiński, Z.; Krzyżanowski, T.; Krasnowski, M.; Kwinta, M.; Myszkiewicz, M.; Polakowski, K.; Zarȩba, P.

    2013-09-01

    On the night of Oct. 18/19, 2012, at 00:23 UT, a -14.7 mag Orionid fireball occurred over northeastern Poland. The precise orbit and atmospheric trajectory of the event are presented, based on the data collected by five video stations and one photographic Polish Fireball Network station. The beginning height of the meteor is 168.4 ± 0.6 km, which makes the PF191012 Myszyniec fireball the highest ever observed, well-documented meteor not belonging to the Leonid shower. The ablation became the dominant source of light of the meteor at a height of around 115 km. The thermalization of sputtered particles is suggested to be the source of radiation above that value. The transition height of 115 km is 10-15 km below the transition heights derived for Leonids and might suggest that the material of Leonids is more fragile and probably has smaller bulk density than that of Orionids.

  15. Efficacy of a preservative-free formulation of fixed-combination bimatoprost and timolol (Ganfort PF) in treatment-naïve patients vs previously treated patients

    PubMed Central

    Cordeiro, M Francesca; Goldberg, Ivan; Schiffman, Rhett; Bernstein, Paula; Bejanian, Marina

    2015-01-01

    Purpose To evaluate, using subgroup analysis, the effect of treatment status on the intraocular pressure (IOP)-lowering efficacy of a preservative-free formulation of fixed-combination bimatoprost 0.03%/timolol 0.5% (FCBT PF). Methods A primary, multicenter, randomized, double-masked, 12-week study compared the efficacy and safety of FCBT PF with preserved FCBT (Ganfort®) in 561 patients diagnosed with glaucoma or ocular hypertension. For this analysis, eligible patients were treatment-naïve or had inadequate IOP lowering and underwent a washout of previous treatment. IOP (8 am, 10 am, and 4 pm) was measured at baseline and weeks 2, 6, and 12. Subgroup analysis of the FCBT PF arm assessed changes in average eye IOP from baseline in treatment-naïve vs previously treated patients. To evaluate the effect of treatment status at baseline (treatment-naïve vs previously treated) on IOP reduction in the FCBT PF treatment group, an analysis of covariance model was used with treatment status and investigator as fixed effects, and baseline average eye IOP, age, glaucoma diagnosis, and baseline average eye corneal thickness as covariates. P-values and the 95% confidence intervals were determined using the model. Results In the FCBT PF arm, IOP mean changes from baseline ranged from −8.7 mmHg to −9.8 mmHg in treatment-naïve patients (N=50), compared with −7.3 mmHg to −8.5 mmHg in previously treated patients (N=228). Baseline IOP, age, glaucoma diagnosis, and corneal thickness significantly affected IOP reduction in the FCBT PF group. Adjusting for these covariates, FCBT PF had a greater IOP-lowering effect (0.8–1.7 mmHg) in treatment-naïve patients than previously treated patients, which was statistically significant (P≤0.05) at seven of nine time points. Conclusion In this subgroup analysis, FCBT PF reduced IOP more effectively in treatment-naïve than in previously treated patients possibly due, in part, to altered responsiveness or tachyphylaxis that has

  16. PF-4 simulated fire accident analysis: Filter-spray cool-down system reevaluation implications

    SciTech Connect

    White, B.W.; Gregory, W.S.

    1990-10-01

    The Los Alamos National Laboratory PF-4 facility was designed with spray cool down systems within the building's ventilation systems. The Engineering and Safety Analysis Group was asked, in cooperation with ENG-8 and MST-8, to evaluate whether the spray cool-down system still need to be classified as safety class'' systems. The study was performed using the FIRAC computer code. Given the fire source terms (hypothetical fire energy or time-temperature history), FIRAC can predict the pertinent transient flow parameters (pressures, flows, and temperatures) throughout a previously defined and selected fire zone. A computer model for the study that had all of the main ventilation systems in the south half of the PF-4 facility was used. Because the most hazardous room is located in the 400 Section, all ventilation systems but the 400 Section's one were simplified. The impetus for simplification was to keep the computer model tractable, and this was possible with the following assumptions: the fire cannot spread from one room to another, all corridor connecting doors are closed and will not fail under the pressures generated by the fire, and the principal pathway for potential release is the ventilation system. All of the blowers continue to operate, and all fire retardant systems fail to operate during the fire. The ASTM time-temperature curve was the source for the burn-room temperature, and smoke injection was used as input as well. Five different computer runs were made using different combinations of source terms and heat transfer. A connection from the burn room to the glovebox ventilation system was created by burning the glovebox plastic shielding; it was modeled by a branch having an initial flow 75 ft{sup 3}/min. 7 refs., 35 refs., 15 tabs.

  17. Shell-model states with seniority ν =3 , 5, and 7 in odd-A neutron-rich Sn isotopes

    NASA Astrophysics Data System (ADS)

    Iskra, Ł. W.; Broda, R.; Janssens, R. V. F.; Chiara, C. J.; Carpenter, M. P.; Fornal, B.; Hoteling, N.; Kondev, F. G.; Królas, W.; Lauritsen, T.; Pawłat, T.; Seweryniak, D.; Stefanescu, I.; Walters, W. B.; Wrzesiński, J.; Zhu, S.

    2016-01-01

    Excited states with seniority ν =3 , 5, and 7 have been investigated in odd neutron-rich 119,121,123,125Sn isotopes produced by fusion-fission of 6.9-MeV/A 48Ca beams with 208Pb and 238U targets and by fission of a 238U target bombarded with 6.7-MeV/A 64Ni beams. Level schemes have been established up to high spin and excitation energies in excess of 6 MeV, based on multifold gamma-ray coincidence relationships measured with the Gammasphere array. In the analysis, the presence of isomers was exploited to identify gamma rays and propose transition placements using prompt and delayed coincidence techniques. Gamma decays of the known 27 /2- isomers were expanded by identifying new deexcitation paths feeding 23 /2+ long-lived states and 21 /2+ levels. Competing branches in the decay of 23 /2- states toward two 19 /2- levels were delineated as well. In 119Sn, a new 23 /2+ isomer was identified, while a similar 23 /2+ long-lived state, proposed earlier in 121Sn, has now been confirmed. In both cases, isomeric half-lives were determined with good precision. In the range of ν =3 excitations, the observed transitions linking the various states enabled one to propose with confidence spin-parity assignments for all the observed states. Above the 27 /2- isomers, an elaborate structure of negative-parity levels was established reaching the (39 /2- ), ν =7 states, with tentative spin-parity assignments based on the observed deexcitation paths as well as on general yrast population arguments. In all the isotopes under investigation, strongly populated sequences of positive-parity (35 /2+ ), (31 /2+ ), and (27 /2+ ) states were established, feeding the 23 /2+ isomers via cascades of three transitions. In the ,123Sn121 isotopes, these sequences also enabled the delineation of higher-lying levels, up to (43 /2+ ) states. In 123Sn, a short half-life was determined for the (35 /2+ ) state. Shell-model calculations were carried out for all the odd Sn isotopes, from 129Sn down to 119

  18. Defining Falciparum-Malaria-Attributable Severe Febrile Illness in Moderate-to-High Transmission Settings on the Basis of Plasma PfHRP2 Concentration

    PubMed Central

    Hendriksen, Ilse C. E.; White, Lisa J.; Veenemans, Jacobien; Mtove, George; Woodrow, Charles; Amos, Ben; Saiwaew, Somporn; Gesase, Samwel; Nadjm, Behzad; Silamut, Kamolrat; Joseph, Sarah; Chotivanich, Kesinee; Day, Nicholas P. J.; von Seidlein, Lorenz; Verhoef, Hans; Reyburn, Hugh; White, Nicholas J.; Dondorp, Arjen M.

    2013-01-01

    Background. In malaria-endemic settings, asymptomatic parasitemia complicates the diagnosis of malaria. Histidine-rich protein 2 (HRP2) is produced by Plasmodium falciparum, and its plasma concentration reflects the total body parasite burden. We aimed to define the malaria-attributable fraction of severe febrile illness, using the distributions of plasma P. falciparum HRP2 (PfHRP2) concentrations from parasitemic children with different clinical presentations. Methods. Plasma samples were collected from and peripheral blood slides prepared for 1435 children aged 6−60 months in communities and a nearby hospital in northeastern Tanzania. The study population included children with severe or uncomplicated malaria, asymptomatic carriers, and healthy control subjects who had negative results of rapid diagnostic tests. The distributions of plasma PfHRP2 concentrations among the different groups were used to model severe malaria-attributable disease. Results. The plasma PfHRP2 concentration showed a close correlation with the severity of infection. PfHRP2 concentrations of >1000 ng/mL denoted a malaria-attributable fraction of severe disease of 99% (95% credible interval [CI], 96%–100%), with a sensitivity of 74% (95% CI, 72%–77%), whereas a concentration of <200 ng/mL denoted severe febrile illness of an alternative diagnosis in >10% (95% CI, 3%–27%) of patients. Bacteremia was more common among patients in the lowest and highest PfHRP2 concentration quintiles. Conclusions. The plasma PfHRP2 concentration defines malaria-attributable disease and distinguishes severe malaria from coincidental parasitemia in African children in a moderate-to-high transmission setting. PMID:23136222

  19. Structure-based drug design studies of the interactions of ent-kaurane diterpenes derived from Wedelia paludosa with the Plasmodium falciparum sarco/endoplasmic reticulum Ca2+-ATPase PfATP6

    PubMed Central

    Guimarães, Daniel Silqueira Martins; da Fonseca, Amanda Luisa; Batista, Ronan; Comar, Moacyr; de Oliveira, Alaíde Braga; Taranto, Alex Gutterres; Varotti, Fernando de Pilla

    2015-01-01

    Malaria is responsible for more deaths around the world than any other parasitic disease. Due to the emergence of strains that are resistant to the current chemotherapeutic antimalarial arsenal, the search for new antimalarial drugs remains urgent though hampered by a lack of knowledge regarding the molecular mechanisms of artemisinin resistance. Semisynthetic compounds derived from diterpenes from the medicinal plant Wedelia paludosa were tested in silico against the Plasmodium falciparum Ca2+-ATPase, PfATP6. This protein was constructed by comparative modelling using the three-dimensional structure of a homologous protein, 1IWO, as a scaffold. Compound 21 showed the best docking scores, indicating a better interaction with PfATP6 than that of thapsigargin, the natural inhibitor. Inhibition of PfATP6 by diterpene compounds could promote a change in calcium homeostasis, leading to parasite death. These data suggest PfATP6 as a potential target for the antimalarial ent-kaurane diterpenes. PMID:25946251

  20. Shell and Shapes in the N = 28 Isotones

    SciTech Connect

    Caceres, L.; Force, C.; Grevy, S.; Sorlin, O.; Gaudefroy, L.; Nowacki, F.

    2010-06-01

    New experimental results on {sup 43}S and {sup 44}S reveal that these nuclei are located in a transitional region of shape coexistence between the spherical {sup 48}Ca and the oblate {sup 42}Si. The origin of the deformation is discussed in terms of the evolution of the single particle energy levels leading to the compression of the energy difference of the orbitals in the sd and pf shells for protons and neutrons, respectively. Therefore, due to quadrupole excitations across the Z = 14 and N = 28 gaps, the intruder configuration in the neutron rich S isotopes became the ground state.

  1. Shell-model study of 31S at excitations relevant to the thermonuclear 30P(p,γ)31S reaction rate

    NASA Astrophysics Data System (ADS)

    Bouhelal, M.; Haas, F.

    2016-07-01

    Recent experimental data about the 30P(p, γ) reaction have been reported, where a list of confirmed 31S excited states within 500 keV of the 30P(p, γ)31S threshold at Ex = 6131 keV and their properties were studied. Definitive constraints on J^{π} are only given for two levels; the other ones are either tentative (five states) or undefined (six states). In order to confirm the proposed spin/parity assignments and to determine the unknown ones a comparison with shell-model calculations is crucial. We have performed a shell-model calculation using the (0+1)hbarω PSDPF interaction to calculate the excitation energy spectrum of mass 31 ( 31S - 31P up to 7000 keV. Between 6100 and 6700 keV, an excitation energy region of astrophysical interest, we obtain a set of negative-parity states that are good candidates for the observed ones. A complete spectrum of positive- and negative-parity states can now be proposed based also on a comparison with the 31P spectrum up to 7000 keV.

  2. Core-shell-structured silica/polyacrylate particles prepared by Pickering emulsion: influence of the nucleation model on particle interfacial organization and emulsion stability

    PubMed Central

    2014-01-01

    This work reports a new evidence of the versatility of silica sol as a stabilizer for Pickering emulsions. The organization of silica particles at the oil-water interface is a function of the nucleation model. The present results show that nucleation model, together with monomer hydrophobicity, can be used as a trigger to modify the packing density of silica particles at the oil-water interface: Less hydrophobic methylmethacrylate, more wettable with silica particles, favors the formation of core-shell-structured composite when the composite particles are prepared by miniemulsion polymerization in which monomers are fed in batch (droplet nucleation). By contrast, hydrophobic butylacrylate promotes the encapsulating efficiency of silica when monomers are fed dropwise (homogeneous nucleation). The morphologies of polyacrylate-nano-SiO2 composites prepared from different feed ratio of methylmethacrylate/butylacrylate (with different hydrophobicity) and by different feed processes are characterized by transmission electron microscopy (TEM) and scanning electron microscopy (SEM) techniques. The results from SEM and TEM show that the morphologies of the as-prepared polyacrylate/nano-SiO2 composite can be a core-shell structure or a bare acrylic sphere. The stability of resulting emulsions composed of these composite particles is strongly dependent on the surface coverage of silica particles. The emulsion stability is improved by densely silica-packed composite particles. PMID:25313299

  3. On Closed Shells in Nuclei

    DOE R&D Accomplishments Database

    Mayer, M. G.

    1948-02-01

    It has been suggested in the past that special numbers of neutrons or protons in the nucleus form a particularly stable configuration.{sup1} The complete evidence for this has never been summarized, nor is it generally recognized how convincing this evidence is. That 20 neutrons or protons (Ca{sup40}) form a closed shell is predicted by the Hartree model. A number of calculations support this fact.{sup2} These considerations will not be repeated here. In this paper, the experimental facts indicating a particular stability of shells of 50 and 82 protons and of 50, 82, and 126 neutrons will be listed.

  4. A Geometric Theory of Nonlinear Morphoelastic Shells

    NASA Astrophysics Data System (ADS)

    Sadik, Souhayl; Angoshtari, Arzhang; Goriely, Alain; Yavari, Arash

    2016-08-01

    Many thin three-dimensional elastic bodies can be reduced to elastic shells: two-dimensional elastic bodies whose reference shape is not necessarily flat. More generally, morphoelastic shells are elastic shells that can remodel and grow in time. These idealized objects are suitable models for many physical, engineering, and biological systems. Here, we formulate a general geometric theory of nonlinear morphoelastic shells that describes both the evolution of the body shape, viewed as an orientable surface, as well as its intrinsic material properties such as its reference curvatures. In this geometric theory, bulk growth is modeled using an evolving referential configuration for the shell, the so-called material manifold. Geometric quantities attached to the surface, such as the first and second fundamental forms, are obtained from the metric of the three-dimensional body and its evolution. The governing dynamical equations for the body are obtained from variational consideration by assuming that both fundamental forms on the material manifold are dynamical variables in a Lagrangian field theory. In the case where growth can be modeled by a Rayleigh potential, we also obtain the governing equations for growth in the form of kinetic equations coupling the evolution of the first and the second fundamental forms with the state of stress of the shell. We apply these ideas to obtain stress-free growth fields of a planar sheet, the time evolution of a morphoelastic circular cylindrical shell subject to time-dependent internal pressure, and the residual stress of a morphoelastic planar circular shell.

  5. Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes

    SciTech Connect

    Han, Sang D.; Yun, Sung-Hyun; Borodin, Oleg; Seo, D. M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A.

    2015-04-23

    Raman spectroscopy is a powerful method for identifying ion-ion interactions, but only if the vibrational band signature for the anion coordination modes can be accurately deciphered. The present study characterizes the PF6- anion P-F Raman symmetric stretching vibrational band for evaluating the PF6-...Li+ cation interactions within LiPF6 crystalline solvates to create a characterization tool for liquid electrolytes. To facilitate this, the crystal structures for two new solvates—(G3)1:LiPF6 and (DEC)2:LiPF6 with triglyme and diethyl carbonate, respectively—are reported. The information obtained from this analysis provides key guidance about the ionic association information which may be obtained from a Raman spectroscopic evaluation of electrolytes containing the LiPF6 salt and aprotic solvents. Of particular note is the overlap of the Raman bands for both solvent-separated ion pair (SSIP) and contact ion pair (CIP) coordination in which the PF6- anions are uncoordinated or coordinated to a single Li+ cation, respectively.

  6. 49 CFR 178.356 - Specification 20PF phenolic-foam insulated, metal overpack.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 3 2011-10-01 2011-10-01 false Specification 20PF phenolic-foam insulated, metal overpack. 178.356 Section 178.356 Transportation Other Regulations Relating to Transportation (Continued... Specification 20PF phenolic-foam insulated, metal overpack....

  7. 49 CFR 178.356 - Specification 20PF phenolic-foam insulated, metal overpack.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 3 2012-10-01 2012-10-01 false Specification 20PF phenolic-foam insulated, metal overpack. 178.356 Section 178.356 Transportation Other Regulations Relating to Transportation (Continued... Specification 20PF phenolic-foam insulated, metal overpack....

  8. 49 CFR 178.356 - Specification 20PF phenolic-foam insulated, metal overpack.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false Specification 20PF phenolic-foam insulated, metal overpack. 178.356 Section 178.356 Transportation Other Regulations Relating to Transportation PIPELINE AND... Specification 20PF phenolic-foam insulated, metal overpack....

  9. 49 CFR 178.356 - Specification 20PF phenolic-foam insulated, metal overpack.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 3 2013-10-01 2013-10-01 false Specification 20PF phenolic-foam insulated, metal overpack. 178.356 Section 178.356 Transportation Other Regulations Relating to Transportation (Continued... Specification 20PF phenolic-foam insulated, metal overpack....

  10. Genomics-guided discovery of secondary metabolites and their regulation in Pseudomonas protegens Pf-5

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Pseudomonas protegens strain Pf-5 is a well-characterized rhizosphere bacterium known for its production of a diverse spectrum of secondary metabolites and its capacity to suppress plant diseases caused by soilborne fungal, bacterial and oomycete pathogens. Metabolites produced by Pf-5 include 2,4-...

  11. Ferric-Pyoverdine Recognition by Fpv Outer Membrane Proteins of Pseudomonas protegens Pf-5

    PubMed Central

    Hartney, Sierra L.; Mazurier, Sylvie; Girard, Maëva K.; Mehnaz, Samina; Davis, Edward W.; Gross, Harald; Lemanceau, Philippe

    2013-01-01

    The soil bacterium Pseudomonas protegens Pf-5 (previously called P. fluorescens Pf-5) produces two siderophores, enantio-pyochelin and a compound in the large and diverse pyoverdine family. Using high-resolution mass spectroscopy, we determined the structure of the pyoverdine produced by Pf-5. In addition to producing its own siderophores, Pf-5 also utilizes ferric complexes of some pyoverdines produced by other strains of Pseudomonas spp. as sources of iron. Previously, phylogenetic analysis of the 45 TonB-dependent outer membrane proteins in Pf-5 indicated that six are in a well-supported clade with ferric-pyoverdine receptors (Fpvs) from other Pseudomonas spp. We used a combination of phylogenetics, bioinformatics, mutagenesis, pyoverdine structural determinations, and cross-feeding bioassays to assign specific ferric-pyoverdine substrates to each of the six Fpvs of Pf-5. We identified at least one ferric-pyoverdine that was taken up by each of the six Fpvs of Pf-5. Functional redundancy of the Pf-5 Fpvs was also apparent, with some ferric-pyoverdines taken up by all mutants with a single Fpv deletion but not by a mutant having deletions in two of the Fpv-encoding genes. Finally, we demonstrated that phylogenetically related Fpvs take up ferric complexes of structurally related pyoverdines, thereby establishing structure-function relationships that can be employed in the future to predict the pyoverdine substrates of Fpvs in other Pseudomonas spp. PMID:23222724

  12. Ferric-pyoverdine recognition by Fpv outer membrane proteins of Pseudomonas protegens Pf-5.

    PubMed

    Hartney, Sierra L; Mazurier, Sylvie; Girard, Maëva K; Mehnaz, Samina; Davis, Edward W; Gross, Harald; Lemanceau, Philippe; Loper, Joyce E

    2013-02-01

    The soil bacterium Pseudomonas protegens Pf-5 (previously called P. fluorescens Pf-5) produces two siderophores, enantio-pyochelin and a compound in the large and diverse pyoverdine family. Using high-resolution mass spectroscopy, we determined the structure of the pyoverdine produced by Pf-5. In addition to producing its own siderophores, Pf-5 also utilizes ferric complexes of some pyoverdines produced by other strains of Pseudomonas spp. as sources of iron. Previously, phylogenetic analysis of the 45 TonB-dependent outer membrane proteins in Pf-5 indicated that six are in a well-supported clade with ferric-pyoverdine receptors (Fpvs) from other Pseudomonas spp. We used a combination of phylogenetics, bioinformatics, mutagenesis, pyoverdine structural determinations, and cross-feeding bioassays to assign specific ferric-pyoverdine substrates to each of the six Fpvs of Pf-5. We identified at least one ferric-pyoverdine that was taken up by each of the six Fpvs of Pf-5. Functional redundancy of the Pf-5 Fpvs was also apparent, with some ferric-pyoverdines taken up by all mutants with a single Fpv deletion but not by a mutant having deletions in two of the Fpv-encoding genes. Finally, we demonstrated that phylogenetically related Fpvs take up ferric complexes of structurally related pyoverdines, thereby establishing structure-function relationships that can be employed in the future to predict the pyoverdine substrates of Fpvs in other Pseudomonas spp. PMID:23222724

  13. Microarray Analysis and Mutagenesis of the Biological Control Agent Pseudomonas fluorescens Pf-5

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The biological control agent Pseudomonas fluorescens Pf-5 suppresses seedling emergence diseases caused by soilborne fungi and Oomycetes. Pf-5 produces at least ten secondary metabolites. These include hydrogen cyanide, pyrrolnitrin, pyoluteorin and 2,4-diacetylphloroglucinol, which have known funct...

  14. The rare codon AGA is involved in regulation of pyoluteorin biosynthesis in Pseudomonas protegens Pf-5

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The soil bacterium Pseudomonas protegens Pf-5 can colonize root and seed surfaces of many plants, protecting them from infection by plant pathogenic fungi and oomycetes. This capacity to suppress disease is attributed in part to Pf-5’s production of a large spectrum of antibiotics, which is controll...

  15. PF-05231023, a long-acting FGF21 analogue, decreases body weight by reduction of food intake in non-human primates.

    PubMed

    Thompson, W Clayton; Zhou, Yingjiang; Talukdar, Saswata; Musante, Cynthia J

    2016-08-01

    PF-05231023, a long-acting FGF21 analogue, is a promising potential pharmacotherapy for the treatment of obesity and associated comorbidities. Previous studies have shown the potential of FGF21 and FGF21-like compounds to decrease body weight in mice, non-human primates, and humans; the precise mechanisms of action remain unclear. In particular, there have been conflicting reports on the degree to which FGF21-induced weight loss in non-human primates is attributable to a decrease in food intake versus an increase in energy expenditure. Here, we present a semi-mechanistic mathematical model of energy balance and body composition developed from similar work in mice. This model links PF-05231023 administration and washout to changes in food intake, which in turn drives changes in body weight. The model is calibrated to and compared with recently published data from cynomolgus macaques treated with PF-05231023, demonstrating its accuracy in describing pharmacotherapy-induced weight loss in these animals. The results are consistent with the hypothesis that PF-05231023 decreases body weight in cynomolgus macaques solely by a reduction in food intake, with no direct effect on energy expenditure. PMID:27405817

  16. Shell Games: Uncovering Periodic Properties.

    ERIC Educational Resources Information Center

    Lamb, William G.

    1983-01-01

    Describes activities (demonstrations/experiments) used to introduce history of periodic properties--without electrons, orbitals, filling shells, or any conception of atoms beyond Dalton's model. Activities supplement first chapter in a currently available chemistry text. Indicates potential danger of experiments if proper safety precautions are…

  17. Complete genome sequence of the plant commensal Pseudomonas fluorescens Pf-5.

    PubMed

    Paulsen, Ian T; Press, Caroline M; Ravel, Jacques; Kobayashi, Donald Y; Myers, Garry S A; Mavrodi, Dmitri V; DeBoy, Robert T; Seshadri, Rekha; Ren, Qinghu; Madupu, Ramana; Dodson, Robert J; Durkin, A Scott; Brinkac, Lauren M; Daugherty, Sean C; Sullivan, Stephen A; Rosovitz, Mary J; Gwinn, Michelle L; Zhou, Liwei; Schneider, Davd J; Cartinhour, Samuel W; Nelson, William C; Weidman, Janice; Watkins, Kisha; Tran, Kevin; Khouri, Hoda; Pierson, Elizabeth A; Pierson, Leland S; Thomashow, Linda S; Loper, Joyce E

    2005-07-01

    Pseudomonas fluorescens Pf-5 is a plant commensal bacterium that inhabits the rhizosphere and produces secondary metabolites that suppress soilborne plant pathogens. The complete sequence of the 7.1-Mb Pf-5 genome was determined. We analyzed repeat sequences to identify genomic islands that, together with other approaches, suggested P. fluorescens Pf-5's recent lateral acquisitions include six secondary metabolite gene clusters, seven phage regions and a mobile genomic island. We identified various features that contribute to its commensal lifestyle on plants, including broad catabolic and transport capabilities for utilizing plant-derived compounds, the apparent ability to use a diversity of iron siderophores, detoxification systems to protect from oxidative stress, and the lack of a type III secretion system and toxins found in related pathogens. In addition to six known secondary metabolites produced by P. fluorescens Pf-5, three novel secondary metabolite biosynthesis gene clusters were also identified that may contribute to the biocontrol properties of P. fluorescens Pf-5.

  18. A Well-Defined Bipolar Outflow Shell

    NASA Astrophysics Data System (ADS)

    Xie, Taoling; Goldsmith, Paul F.; Patel, Nimesh

    1992-12-01

    A well-defined "eggplant-shaped" thin shell is revealed in the Mon R2 central core region by CO and (13) CO J=1-0 maps obtained with QUARRY. This thin shell outlines the extended blue lobe of the massive bipolar outflow. The projected length and width of the shell are about 5.7 pc and 2.5 pc respectively, and the averaged projected thickness of the shell is ~ 0.3 pc. The shape of this shell can be satisfactorily accounted for quantitatively in terms of limb-brightening within the framework of the Shu et al shell model with radially directed wind, although the model seems to be oversimplified with respect to the complexity that our data reveal. The outflow shell's symmetry axis is estimated to be inclined by ~ 70(deg) with respect to the line of sight. We suggest that the coincident blue- and red-shifted emission and the bending of the red-shifted lobe are the result of the red-shifted shell being compressed, rather than having a second bipolar outflow aligned roughly perpendicular to the axis of the first bipolar outflow.

  19. Modeling energy dependence of the inner-shell x-ray emission produced by femtosecond-pulse laser irradiation of xenon clusters

    SciTech Connect

    Colgan, James P

    2008-01-01

    We employ the Los Alamos suite of atomic physics codes to model the inner-shell x-ray emission spectrum of xenon and compare results with those obtained via high-resolution x-ray spectroscopy of xenon clusters irradiated by 30 fs Ti:Sa laser pulses. We find that the commonly employed configuration average approximation breaks down and significant spin-orbit splitting necessitates a detailed level accounting. Additionally, we reproduce an interesting spectral trend for a series of experimental spectra taken with varying pulse energy for fixed pulse duration. To simulate the experimental measurements at increasing beam energies, we find that spectral modeling requires an increased hot electron fraction, but decreased atomic density and bulk electron temperature. We believe these latter conditions to be a result of partial cluster destruction due to the increased energy in the laser prepulse.

  20. Evaluation of TPGS-modified thermo-sensitive Pluronic PF127 hydrogel as a potential carrier to reverse the resistance of P-gp-overexpressing SMMC-7721 cell lines.

    PubMed

    Gao, Lei; Wang, Xiaoqing; Ma, Jianli; Hao, Daifeng; Wei, Pei; Zhou, Liang; Liu, Guiyang

    2016-04-01

    In the present studies locally injectable docetaxel nanocrystals loaded d-alpha tocopheryl polyethylene glycol 1000 succinate-modified Pluronic F127 (DOC-NCs-TPGS-PF127) thermo-sensitive hydrogels were prepared to reverse drug resistance of P-glycoprotein (P-gp)-overexpressing human liver cancer SMMC-7721 tumors. Firstly, DOC nanosuspensions with mean particle size of 196nm were prepared and dispersed into series of mixed solutions containing PF127 and TPGS of different ratios to obtain DOC-NCs-TPGS-PF127 hydrogels. DOC NCs, exhibiting a uniform distribution and very good physical stability during three sol-gel cycles in the hydrogel network, did not influence the gelation temperature. Swelling-dependent release pattern was found for DOC NCs from hydrogels and release profiles could be well fitted by the Peppas equation. MTT test showed that hydrogels containing 0% or 0.1% TPGS had no cytotoxicity against L929 fibroblasts. Both DOC solution and DOC-NCs-TPGS-PF127 hydrogels exhibited obvious cytotoxicity against sensitive SMMC-7721 cells. When resistant SMMC7721 cells were treated, DOC-NCs-TPGS-PF127 hydrogels showed significantly higher cytotoxicity compared with DOC solution and hydrogels containing no TPGS (DOC-NCs-PF127), with markedly lower IC50 and resistant index (RI). After intratumoral injection in SMMC-7721/RT tumor xenograft Balb/c mice model, DOC-NCs-TPGS-PF127 hydrogels exhibited about 5-fold increase and 1.8-fold increase in the inhibition rate of tumor growth compared with intravenous and intratumoral injection of DOC solution, respectively. It could be concluded that TPGS-modified PF127 thermo-sensitive hydrogel was an excellent locally injectable carrier to reverse P-gp overexpression associated multi-drug resistance. PMID:26764117

  1. BV photometry of five shell galaxies

    NASA Astrophysics Data System (ADS)

    Pierfederici, F.; Rampazzo, R.

    2004-06-01

    Current views consider shell structures as bona fide signatures of a recent minor/major merging event though also weak interaction models (WIM) could produce long lasting shells on host galaxies possessing a stellar thick disc. We present a B V band photometric study of a sample of 5 shell galaxies belonging to the Malin & Carter (1983) compilation. The structural properties and colors of the galaxies, as well as the colors of their shells are examined in detail. We did not find signatures of the presence of double nuclei. NGC 7585 is the only E galaxy in the sample and has a moderately boxy structure. The other galaxies have either a discy structure or are mixed E/S0 type galaxies. NGC 474 is a true lenticular. NGC 6776 shows a diffuse asymmetric outer structure and a system of tails of the the same color of the galaxy body; but not clear shells. In general, the color of the shells in our sample is similar or slightly redder than that of the host galaxy, whose color, in turn, is typical of the early-type morphological class. One of the outer shells of NGC 474 is significantly bluer than the body of the galaxy. Since NGC 474 appears to be interacting with NGC 470, the color of this one shell could be explained as result of a recent acquisition of material through tidal interaction. The WIM hypothesis could explain both the red and the blue shells of NGC 474, this latter acquired from the fly-by of the nearby companion NGC 470, but the lack of the constancy of shell surface brightness as a ratio of the underlying galaxy brightness argues against WIM. We speculate about evidence, which also comes from different observations, that suggests a merging/accretion origin of the shells. Based on observations obtained at the Observatoire de Haute Provence, CNRS, Saint Michel l'Observatoire, France and ESO, La Silla, Chile

  2. Glass shell manufacturing in space

    NASA Technical Reports Server (NTRS)

    Nolen, R. L.; Downs, R. L.; Ebner, M. A.

    1982-01-01

    Highly-uniform, hollow glass spheres, which are used for inertial-confinement fusion targets, are formed from metal-organic gel powder feedstock in a drop-tower furnace. The modelling of this gel-to-sphere transformation has consisted of three phases: gel thermochemistry, furnance-to-gel heat transfer, and gravity-driven degradation of the concentricity of the molten shell. The heat transfer from the furnace to the free-falling gel particle was modelled with forced convection. The gel mass, dimensions, and specific heat as well as furnace temperature profile and furnace gas conductivity, were controlled variables. This model has been experimentally verified. In the third phase, a mathematical model was developed to describe the gravity-driven degradation of concentricity in molten glass shells.

  3. Experimental study of upper sd shell nuclei and evolution of sd-fp shell gap

    SciTech Connect

    Sarkar, M. Saha

    2012-06-27

    The intruder orbitals from the fp shell play important role in the structure of nuclei around the line of stability in the upper sd shell. Experimentally we have studied {sup 35}Cl, {sup 30}P, {sup 36}Cl, {sup 37}Ar and {sup 34}Cl in this mass region using the INGA setup. Large basis cross-shell shell model calculations have indicated the need for change of the sd-fp energy gap for reliable reproduction of negative parity and high spin positive parity states. Indication of population of states of large deformation has been found in our data. Theoretical interpretation of these states has been discussed.

  4. Semiclassical shell structure in rotating Fermi systems

    SciTech Connect

    Magner, A. G.; Sitdikov, A. S.; Khamzin, A. A.; Bartel, J.

    2010-06-15

    The collective moment of inertia is derived analytically within the cranking model for any rotational frequency of the harmonic-oscillator potential well and at a finite temperature. Semiclassical shell-structure components of the collective moment of inertia are obtained for any potential by using the periodic-orbit theory. We found semiclassically their relation to the free-energy shell corrections through the shell-structure components of the rigid-body moment of inertia of the statistically equilibrium rotation in terms of short periodic orbits. The shell effects in the moment of inertia exponentially disappear with increasing temperature. For the case of the harmonic-oscillator potential, one observes a perfect agreement of the semiclassical and quantum shell-structure components of the free energy and the moment of inertia for several critical bifurcation deformations and several temperatures.

  5. Thermal equilibrium in Europa's ice shell

    NASA Astrophysics Data System (ADS)

    Moore, William B.

    2006-01-01

    Models of tidal-convective equilibrium for Europa's ice shell are computed using a laboratory-derived composite flow law for ice. Volume diffusion creep is found to dominate the flow law at equilibrium, and thus the thickness of the shell is strongly dependent on the poorly known grain size of the ice. This grain size is, however, constrained to be less than a few millimeters if equilibrium is achieved at the current eccentricity. Europa's ice shell cannot be thinner than about 16 km in equilibrium at present, since tidal dissipation cannot generate enough heat in such a thin shell to balance the heat transport. No conductive equilibria are found; this is likely due to the fact that most of a conductive shell must be cold if temperature gradients are to be large enough to carry the heat. A minimum eccentricity of about 0.0025 (about 1/4 the present value) below which there are no equilibria is also found.

  6. Geosmin and 2-methylisoborneol removal using superfine powdered activated carbon: shell adsorption and branched-pore kinetic model analysis and optimal particle size.

    PubMed

    Matsui, Yoshihiko; Nakao, Soichi; Taniguchi, Takuma; Matsushita, Taku

    2013-05-15

    2-Methylisoborneol (MIB) and geosmin are naturally occurring compounds responsible for musty-earthy taste and odor in public drinking-water supplies, a severe problem faced by many utilities throughout the world. In this study, we investigated adsorptive removal of these compounds by superfine powdered activation carbon (SPAC, particle size <1 μm) produced by novel micro-grinding of powdered activated carbon; we also discuss the optimization of carbon particle size to efficiently enhance the adsorptive removal. After grinding, the absorptive capacity remained unchanged for a 2007 carbon sample and was increased for a 2010 carbon sample; the capacity increase was quantitatively described by the shell adsorption model, in which MIB and geosmin adsorbed more in the exterior of a carbon particle than in the center. The extremely high uptake rates of MIB and geosmin by SPAC were simulated well by a combination of the branched-pore kinetic model and the shell adsorption model, in which intraparticle diffusion through macropores was followed by diffusion from macropore to micropore. Simulations suggested that D40 was on the whole the best characteristic diameter to represent a size-disperse group of adsorbent particles; D40 is the diameter through which 40% of the particles by volume pass. Therefore, D40 can be used as an index for evaluating the improvement of adsorptive removal that resulted from pulverization. The dose required for a certain percentage removal of MIB or geosmin decreased linearly with carbon particle size (D40), but the dose reduction became less effective as the activated carbon was ground down to smaller sizes around a critical value of D40. For a 60-min contact time, critical D40 was 2-2.5 μm for MIB and 0.4-0.5 μm for geosmin. The smaller critical D40 was when the shorter the carbon-water contact time was or the slower the intraparticle mass transfer rate of an adsorbate was. PMID:23528781

  7. Geosmin and 2-methylisoborneol removal using superfine powdered activated carbon: shell adsorption and branched-pore kinetic model analysis and optimal particle size.

    PubMed

    Matsui, Yoshihiko; Nakao, Soichi; Taniguchi, Takuma; Matsushita, Taku

    2013-05-15

    2-Methylisoborneol (MIB) and geosmin are naturally occurring compounds responsible for musty-earthy taste and odor in public drinking-water supplies, a severe problem faced by many utilities throughout the world. In this study, we investigated adsorptive removal of these compounds by superfine powdered activation carbon (SPAC, particle size <1 μm) produced by novel micro-grinding of powdered activated carbon; we also discuss the optimization of carbon particle size to efficiently enhance the adsorptive removal. After grinding, the absorptive capacity remained unchanged for a 2007 carbon sample and was increased for a 2010 carbon sample; the capacity increase was quantitatively described by the shell adsorption model, in which MIB and geosmin adsorbed more in the exterior of a carbon particle than in the center. The extremely high uptake rates of MIB and geosmin by SPAC were simulated well by a combination of the branched-pore kinetic model and the shell adsorption model, in which intraparticle diffusion through macropores was followed by diffusion from macropore to micropore. Simulations suggested that D40 was on the whole the best characteristic diameter to represent a size-disperse group of adsorbent particles; D40 is the diameter through which 40% of the particles by volume pass. Therefore, D40 can be used as an index for evaluating the improvement of adsorptive removal that resulted from pulverization. The dose required for a certain percentage removal of MIB or geosmin decreased linearly with carbon particle size (D40), but the dose reduction became less effective as the activated carbon was ground down to smaller sizes around a critical value of D40. For a 60-min contact time, critical D40 was 2-2.5 μm for MIB and 0.4-0.5 μm for geosmin. The smaller critical D40 was when the shorter the carbon-water contact time was or the slower the intraparticle mass transfer rate of an adsorbate was.

  8. Reduction of collectivity at very high spins in 134Nd: Expanding the projected-shell-model basis up to 10-quasiparticle states

    NASA Astrophysics Data System (ADS)

    Wang, Long-Jun; Sun, Yang; Mizusaki, Takahiro; Oi, Makito; Ghorui, Surja K.

    2016-03-01

    Background: The recently started physics campaign with the new generation of γ -ray spectrometers, "GRETINA" and "AGATA," will possibly produce many high-quality γ rays from very fast-rotating nuclei. Microscopic models are needed to understand these states. Purpose: It is a theoretical challenge to describe high-spin states in a shell-model framework by the concept of configuration mixing. To meet the current needs, one should overcome the present limitations and vigorously extend the quasiparticle (qp) basis of the projected shell model (PSM). Method: With the help of the recently proposed Pfaffian formulas, we apply the new algorithm and develop a new PSM code that extends the configuration space to include up to 10-qp states. The much-enlarged multi-qp space enables us to investigate the evolutional properties at very high spins in fast-rotating nuclei. Results: We take 134Nd as an example to demonstrate that the known experimental yrast and the several negative-parity side bands in this nucleus could be well described by the calculation. The variations in moment of inertia with spin are reproduced and explained in terms of successive band crossings among the 2-qp, 4-qp, 6-qp, 8-qp, and 10-qp states. Moreover, the electric quadrupole transitions in these bands are studied. Conclusions: A pronounced decrease in the high-spin B (E 2 ) of 134Nd is predicted, which suggests reduction of collectivity at very high spins because of increased level density and complex band mixing. The possibility for a potential application of the present development in the study of highly excited states in warm nuclei is mentioned.

  9. PF-04691502 triggers cell cycle arrest, apoptosis and inhibits the angiogenesis in hepatocellular carcinoma cells.

    PubMed

    Wang, Feng-Ze; Peng-Jiao; Yang, Na-Na; Chuang-Yuan; Zhao, Ya-Li; Liu, Qiang-Qiang; Fei, Hong-Rong; Zhang, Ji-Guo

    2013-07-01

    Hepatocellular carcinoma (HCC) is a major cause of morbidity and mortality in the world. The aim of the present study is to determine the antitumor effect of PF-04691502, a potent inhibitor of PI3K and mTOR kinases, on the apoptosis and angiogenesis of the hepatoma cancer cells. Our results indicate that treatment of cancer cells with PF-04691502 reduces cell viability and inhibits cell growth in a dose-dependent manner. PF-04691502 triggers apoptosis via a mitochondrial pathway, accompanied by activation of caspase-3, caspase-9, and poly(ADP-ribose) polymerase (PARP). Pre-treatment of hepatoma cells with the caspase-3 inhibitor (z-DEVD-fmk) blocks the PF-04691502-induced death of these cells. In addition, growth factors-induced tube formation and the migration of HUVECs are markedly inhibited by PF-04691502 treatment. The mechanisms of anti-angiogenesis of PF-04691502 are associated with inhibiting the expression of VEGF and HIF-1α. Based on the overall results, we suggest that PF-04691502 reduces hepatocellular carcinoma cell viability, induces cell apoptosis, and inhibits cell growth and tumor angiogenesis, implicating its potential therapeutic value in the treatment of HCC.

  10. Nuclear Quadrupole Moments and Nuclear Shell Structure

    DOE R&D Accomplishments Database

    Townes, C. H.; Foley, H. M.; Low, W.

    1950-06-23

    Describes a simple model, based on nuclear shell considerations, which leads to the proper behavior of known nuclear quadrupole moments, although predictions of the magnitudes of some quadrupole moments are seriously in error.

  11. Study of the interrelation between the electrotechnical parameters of the plasma focus discharge circuit and the plasma compression dynamics on the PF-3 and PF-1000 facilities

    SciTech Connect

    Mitrofanov, K. N.; Krauz, V. I. E-mail: vkrauz@yandex.ru; Grabovski, E. V.; Myalton, V. V.; Vinogradov, V. P.; Paduch, M.; Scholz, M.; Karpiński, L.

    2015-05-15

    The main stages of the plasma current sheath (PCS) dynamics on two plasma focus (PF) facilities with different geometries of the electrode system, PF-3 (Filippov type) and PF-1000 (Mather type), were studied by analyzing the results of the current and voltage measurements. Some dynamic characteristics, such as the PCS velocity in the acceleration phase in the Mather-type facility (PF-1000), the moment at which the PCS reaches the anode end, and the plasma velocity in the radial stage of plasma compression in the PF-3 Filippov-type facility, were determined from the time dependence of the inductance of the discharge circuit with a dynamic plasma load. The energy characteristics of the discharge circuit of the compressing PCS were studied for different working gases (deuterium, argon, and neon) at initial pressures of 1.5–3 Torr in discharges with energies of 0.3–0.6 MJ. In experiments with deuterium, correlation between the neutron yield and the electromagnetic energy deposited directly in the compressed PCS was investigated.

  12. Multiple shell fusion targets

    DOEpatents

    Lindl, J.D.; Bangerter, R.O.

    1975-10-31

    Multiple shell fusion targets for use with electron beam and ion beam implosion systems are described. The multiple shell targets are of the low-power type and use a separate relatively low Z, low density ablator at large radius for the outer shell, which reduces the focusing and power requirements of the implosion system while maintaining reasonable aspect ratios. The targets use a high Z, high density pusher shell placed at a much smaller radius in order to obtain an aspect ratio small enough to protect against fluid instability. Velocity multiplication between these shells further lowers the power requirements. Careful tuning of the power profile and intershell density results in a low entropy implosion which allows breakeven at low powers. For example, with ion beams as a power source, breakeven at 10-20 Terrawatts with 10 MeV alpha particles for imploding a multiple shell target can be accomplished.

  13. MOND implications for spectral line profiles of shell galaxies: shell formation history and mass-velocity scaling relations

    NASA Astrophysics Data System (ADS)

    Bílek, M.; Jungwiert, B.; Ebrová, I.; Bartošková, K.

    2015-03-01

    Context. Many ellipticals are surrounded by round stellar shells probably stemming from minor mergers. A new method for constraining gravitational potential in elliptical galaxies has recently been suggested. It uses the spectral line profiles of these shells to measure the circular velocity at the edge of the shell and the expansion velocity of the shell itself. MOND is an alternative to the dark matter framework aiming to solve the missing mass problem. Aims: We study how the circular and expansion velocities behave in MOND for large shells. Methods: The asymptotic behavior for infinitely large shells is derived analytically. The applicability of the asymptotic results for finitely sized shells is studied numerically on a grid of galaxies modeled with Sérsic spheres. Results: Circular velocity settles asymptotically at a value determined by the baryonic mass of the galaxy forming the baryonic Tully-Fisher relation known for disk galaxies. Shell expansion velocity also becomes asymptotically constant. The expansion velocities of large shells form a multibranched analogy to the baryonic Tully-Fisher relation, together with the galactic baryonic masses. For many - but not all - shell galaxies, the asymptotic values of these two types of velocities are reached under the effective radius. If MOND is assumed to work in ellipticals, then the shell spectra allow many details of the history to be revealed about the formation of the shell system, including its age. The results pertaining to circular velocities apply to all elliptical galaxies, not only those with shells.

  14. Imperfection sensitivity of pressured buckling of biopolymer spherical shells

    NASA Astrophysics Data System (ADS)

    Zhang, Lei; Ru, C. Q.

    2016-06-01

    Imperfection sensitivity is essential for mechanical behavior of biopolymer shells [such as ultrasound contrast agents (UCAs) and spherical viruses] characterized by high geometric heterogeneity. In this work, an imperfection sensitivity analysis is conducted based on a refined shell model recently developed for spherical biopolymer shells of high structural heterogeneity and thickness nonuniformity. The influence of related parameters (including the ratio of radius to average shell thickness, the ratio of transverse shear modulus to in-plane shear modulus, and the ratio of effective bending thickness to average shell thickness) on imperfection sensitivity is examined for pressured buckling. Our results show that the ratio of effective bending thickness to average shell thickness has a major effect on the imperfection sensitivity, while the effect of the ratio of transverse shear modulus to in-plane shear modulus is usually negligible. For example, with physically realistic parameters for typical imperfect spherical biopolymer shells, the present model predicts that actual maximum external pressure could be reduced to as low as 60% of that of a perfect UCA spherical shell or 55%-65% of that of a perfect spherical virus shell, respectively. The moderate imperfection sensitivity of spherical biopolymer shells with physically realistic imperfection is largely attributed to the fact that biopolymer shells are relatively thicker (defined by smaller radius-to-thickness ratio) and therefore practically realistic imperfection amplitude normalized by thickness is very small as compared to that of classical elastic thin shells which have much larger radius-to-thickness ratio.

  15. Investigation of the two-quasiparticle bands in the doubly-odd nucleus 166Ta using a particle-number conserving cranked shell model

    NASA Astrophysics Data System (ADS)

    Zhang, ZhenHua

    2016-07-01

    The high-spin rotational properties of two-quasiparticle bands in the doubly-odd 166Ta are analyzed using the cranked shell model with pairing correlations treated by a particle-number conserving method, in which the blocking effects are taken into account exactly. The experimental moments of inertia and alignments and their variations with the rotational frequency hω are reproduced very well by the particle-number conserving calculations, which provides a reliable support to the configuration assignments in previous works for these bands. The backbendings in these two-quasiparticle bands are analyzed by the calculated occupation probabilities and the contributions of each orbital to the total angular momentum alignments. The moments of inertia and alignments for the Gallagher-Moszkowski partners of these observed two-quasiparticle rotational bands are also predicted.

  16. Simplified dispersion curves for circular cylindrical shells using shallow shell theory

    NASA Astrophysics Data System (ADS)

    Sarkar, Abhijit; Sonti, Venkata R.

    2009-04-01

    An alternative derivation of the dispersion relation for the transverse vibration of a circular cylindrical shell is presented. The use of the shallow shell theory model leads to a simpler derivation of the same result. Further, the applicability of the dispersion relation is extended to the axisymmetric mode and the high frequency beam mode.

  17. Radio to Gamma-Ray Emission from Shell-Type Supernova Remnants: Predictions from Non-Linear Shock Acceleration Models

    NASA Technical Reports Server (NTRS)

    Baring, Matthew G.; Ellison, Donald C.; Reynolds, Stephen P.; Grenier, Isabelle A.; Goret, Philippe

    1998-01-01

    Supernova remnants (SNRs) are widely believed to be the principal source of galactic cosmic rays, produced by diffusive shock acceleration in the environs of the remnant's expanding blast wave. Such energetic particles can produce gamma-rays and lower energy photons via interactions with the ambient plasma. The recently reported observation of TeV gamma-rays from SN1006 by the CANGAROO Collaboration, combined with the fact that several unidentified EGRET sources have been associated with known radio/optical/X-ray-emitting remnants, provides powerful motivation for studying gamma-ray emission from SNRs. In this paper, we present results from a Monte Carlo simulation of non-linear shock structure and acceleration coupled with photon emission in shell-like SNRs. These non-linearities are a by-product of the dynamical influence of the accelerated cosmic rays on the shocked plasma and result in distributions of cosmic rays which deviate from pure power-laws. Such deviations are crucial to acceleration efficiency considerations and impact photon intensities and spectral shapes at all energies, producing GeV/TeV intensity ratios that are quite different from test particle predictions.

  18. Acetabular shell deformation as a function of shell stiffness and bone strength.

    PubMed

    Dold, Philipp; Pandorf, Thomas; Flohr, Markus; Preuss, Roman; Bone, Martin C; Joyce, Tom J; Holland, James; Deehan, David

    2016-04-01

    Press-fit acetabular shells used for hip replacement rely upon an interference fit with the bone to provide initial stability. This process may result in deformation of the shell. This study aimed to model shell deformation as a process of shell stiffness and bone strength. A cohort of 32 shells with two different wall thicknesses (3 and 4 mm) and 10 different shell sizes (44- to 62-mm outer diameter) were implanted into eight cadavers. Shell deformation was then measured in the cadavers using a previously validated ATOS Triple Scan III optical system. The shell-bone interface was then considered as a spring system according to Hooke's law and from this the force exerted on the shell by the bone was calculated using a combined stiffness consisting of the measured shell stiffness and a calculated bone stiffness. The median radial stiffness for the 3-mm wall thickness was 4192 N/mm (range, 2920-6257 N/mm), while for the 4-mm wall thickness the median was 9633 N/mm (range, 6875-14,341 N/mm). The median deformation was 48 µm (range, 3-187 µm), while the median force was 256 N (range, 26-916 N). No statistically significant correlation was found between shell stiffness and deformation. Deformation was also found to be not fully symmetric (centres 180° apart), with a median angle discrepancy of 11.5° between the two maximum positive points of deformation. Further work is still required to understand how the bone influences acetabular shell deformation.

  19. Shell thickness determination of polymer-shelled microbubbles using transmission electron microscopy.

    PubMed

    Härmark, Johan; Hebert, Hans; Koeck, Philip J B

    2016-06-01

    Intravenously injected microbubbles (MBs) can be utilized as ultrasound contrast agent (CA) resulting in enhanced image quality. A novel CA, consisting of air filled MBs stabilized with a shell of polyvinyl alcohol (PVA) has been developed. These spherical MBs have been decorated with superparamagnetic iron oxide nanoparticles (SPIONs) in order to serve as both ultrasound and magnetic resonance imaging (MRI) CA. In this study, a mathematical model was introduced that determined the shell thickness of two types of SPIONs decorated MBs (Type A and Type B). The shell thickness of MBs is important to determine, as it affects the acoustical properties. In order to investigate the shell thickness, thin sections of plastic embedded MBs were prepared and imaged using transmission electron microscopy (TEM). However, the sections were cut at random distances from the MB center, which affected the observed shell thickness. Hence, the model determined the average shell thickness of the MBs from corrected mean values of the outer and inner radii observed in the TEM sections. The model was validated using simulated slices of MBs with known shell thickness and radius. The average shell thickness of Type A and Type B MBs were 651nm and 637nm, respectively.

  20. A Method for Quantifying, Visualising, and Analysing Gastropod Shell Form.

    PubMed

    Liew, Thor-Seng; Schilthuizen, Menno

    2016-01-01

    Quantitative analysis of organismal form is an important component for almost every branch of biology. Although generally considered an easily-measurable structure, the quantification of gastropod shell form is still a challenge because many shells lack homologous structures and have a spiral form that is difficult to capture with linear measurements. In view of this, we adopt the idea of theoretical modelling of shell form, in which the shell form is the product of aperture ontogeny profiles in terms of aperture growth trajectory that is quantified as curvature and torsion, and of aperture form that is represented by size and shape. We develop a workflow for the analysis of shell forms based on the aperture ontogeny profile, starting from the procedure of data preparation (retopologising the shell model), via data acquisition (calculation of aperture growth trajectory, aperture form and ontogeny axis), and data presentation (qualitative comparison between shell forms) and ending with data analysis (quantitative comparison between shell forms). We evaluate our methods on representative shells of the genera Opisthostoma and Plectostoma, which exhibit great variability in shell form. The outcome suggests that our method is a robust, reproducible, and versatile approach for the analysis of shell form. Finally, we propose several potential applications of our methods in functional morphology, theoretical modelling, taxonomy, and evolutionary biology.